USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot -171:sc= 0.0731 USER MOD Set 1.2: A 124 SER OG : rot -93:sc= 2.23 USER MOD Set 2.1: A 46 SER OG : rot -144:sc= 1.21 USER MOD Set 2.2: A 50 GLN : amide:sc= 2.09 K(o=3.3,f=1.2) USER MOD Set 3.1: A 36 GLN : amide:sc= -0.933 K(o=-0.56,f=-5.9!) USER MOD Set 3.2: A 81 SER OG : rot 130:sc= 0.374 USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -0.375 F(o=-0.59,f=0.12) USER MOD Set 4.2: A 24 GLN :FLIP amide:sc= 0.495 F(o=-1.9,f=0.12) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.988 K(o=-0.99,f=-5.6!) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.149 F(o=-1.5!,f=-0.15) USER MOD Single : A 16 MET CE :methyl -144:sc= -3.35! (180deg=-4.97!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -145:sc= 0 (180deg=-0.041) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.513 USER MOD Single : A 20 ASN : amide:sc= 0.346 K(o=0.35,f=-0.76) USER MOD Single : A 27 SER OG : rot 34:sc= 1.4 USER MOD Single : A 29 SER OG : rot -78:sc= 1.55 USER MOD Single : A 33 THR OG1 : rot -118:sc= 0.691 USER MOD Single : A 37 MET CE :methyl -173:sc= -2.09 (180deg=-2.6) USER MOD Single : A 40 MET CE :methyl -140:sc= -0.331 (180deg=-1.56) USER MOD Single : A 42 MET CE :methyl 139:sc= -0.0932 (180deg=-1.18) USER MOD Single : A 43 MET CE :methyl -152:sc= -0.294 (180deg=-1.16) USER MOD Single : A 48 ASN : amide:sc= 0.503 K(o=0.5,f=-6.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -163:sc= -0.968 (180deg=-1.6) USER MOD Single : A 52 GLN : amide:sc= 0.0399 X(o=0.04,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -156:sc= -2.23! (180deg=-3.4!) 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= -0.65 K(o=-0.65,f=-1.2) USER MOD Single : A 66 MET CE :methyl -131:sc= -0.0904 (180deg=-0.343) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.672! F(o=-1.6,f=-0.67!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 174:sc= -0.196 (180deg=-0.3) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.00347 USER MOD Single : A 91 ASN : amide:sc= -0.0252 K(o=-0.025,f=-1.1) USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 100 SER OG : rot 96:sc= 1.21 USER MOD Single : A 101 MET CE :methyl -159:sc= -0.0766 (180deg=-0.528) USER MOD Single : A 102 MET CE :methyl -158:sc= -0.383 (180deg=-1.41) USER MOD Single : A 103 GLN : amide:sc= -0.0565 K(o=-0.056,f=-0.75) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 19:sc= 0.799 USER MOD Single : A 110 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.1) USER MOD Single : A 113 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 114 ASN : amide:sc= 1.01 K(o=1,f=-0.35) USER MOD Single : A 117 MET CE :methyl 149:sc= -2.26! (180deg=-5.22!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 156:sc= -2.18! (180deg=-3.15!) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.489 8.157 -3.746 1.00 0.00 N ATOM 82 CA ILE A 8 8.115 9.358 -3.018 1.00 0.00 C ATOM 83 C ILE A 8 7.604 10.447 -3.967 1.00 0.00 C ATOM 84 O ILE A 8 6.701 11.210 -3.621 1.00 0.00 O ATOM 85 CB ILE A 8 9.295 9.892 -2.168 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.844 11.066 -1.294 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.470 10.298 -3.048 1.00 0.00 C ATOM 88 CD1 ILE A 8 7.907 10.668 -0.178 1.00 0.00 C ATOM 0 HA ILE A 8 7.304 9.087 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 8 9.629 9.085 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.723 11.546 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.351 11.807 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.282 10.668 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.815 9.434 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.155 11.083 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.631 11.551 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.010 10.215 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.403 9.950 0.475 1.00 0.00 H new ATOM 100 N TRP A 9 8.165 10.504 -5.175 1.00 0.00 N ATOM 101 CA TRP A 9 7.721 11.473 -6.171 1.00 0.00 C ATOM 102 C TRP A 9 6.469 10.956 -6.871 1.00 0.00 C ATOM 103 O TRP A 9 6.492 10.641 -8.060 1.00 0.00 O ATOM 104 CB TRP A 9 8.814 11.754 -7.210 1.00 0.00 C ATOM 105 CG TRP A 9 10.133 12.175 -6.632 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.242 11.394 -6.474 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.489 13.479 -6.152 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.262 12.130 -5.923 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.827 13.412 -5.717 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.808 14.695 -6.046 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.493 14.515 -5.185 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.471 15.789 -5.520 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.802 15.692 -5.096 1.00 0.00 C ATOM 0 H TRP A 9 8.922 9.894 -5.484 1.00 0.00 H new ATOM 0 HA TRP A 9 7.498 12.407 -5.655 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.965 10.857 -7.810 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.463 12.534 -7.885 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.307 10.350 -6.743 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.194 11.778 -5.703 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.781 14.779 -6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.519 14.443 -4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.954 16.733 -5.435 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.293 16.564 -4.690 1.00 0.00 H new ATOM 124 N THR A 10 5.397 10.827 -6.110 1.00 0.00 N ATOM 125 CA THR A 10 4.140 10.339 -6.634 1.00 0.00 C ATOM 126 C THR A 10 3.041 11.383 -6.448 1.00 0.00 C ATOM 127 O THR A 10 2.154 11.538 -7.293 1.00 0.00 O ATOM 128 CB THR A 10 3.732 9.046 -5.908 1.00 0.00 C ATOM 129 OG1 THR A 10 4.862 8.171 -5.793 1.00 0.00 O ATOM 130 CG2 THR A 10 2.615 8.341 -6.651 1.00 0.00 C ATOM 0 H THR A 10 5.376 11.057 -5.117 1.00 0.00 H new ATOM 0 HA THR A 10 4.269 10.139 -7.698 1.00 0.00 H new ATOM 0 HB THR A 10 3.375 9.311 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.595 7.351 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.343 7.429 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.747 8.998 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.950 8.088 -7.657 1.00 0.00 H new ATOM 138 N ASN A 11 3.120 12.106 -5.337 1.00 0.00 N ATOM 139 CA ASN A 11 2.108 13.086 -4.976 1.00 0.00 C ATOM 140 C ASN A 11 2.771 14.350 -4.444 1.00 0.00 C ATOM 141 O ASN A 11 3.586 14.290 -3.522 1.00 0.00 O ATOM 142 CB ASN A 11 1.156 12.497 -3.924 1.00 0.00 C ATOM 143 CG ASN A 11 0.098 13.480 -3.450 1.00 0.00 C ATOM 144 OD1 ASN A 11 -0.312 14.383 -4.179 1.00 0.00 O ATOM 145 ND2 ASN A 11 -0.365 13.301 -2.224 1.00 0.00 N ATOM 0 H ASN A 11 3.884 12.029 -4.666 1.00 0.00 H new ATOM 0 HA ASN A 11 1.530 13.343 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.664 11.618 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.738 12.159 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.085 13.922 -1.855 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.002 12.542 -1.648 1.00 0.00 H new ATOM 152 N PRO A 12 2.452 15.505 -5.052 1.00 0.00 N ATOM 153 CA PRO A 12 2.965 16.812 -4.633 1.00 0.00 C ATOM 154 C PRO A 12 2.941 17.026 -3.118 1.00 0.00 C ATOM 155 O PRO A 12 3.919 17.501 -2.536 1.00 0.00 O ATOM 156 CB PRO A 12 2.009 17.787 -5.317 1.00 0.00 C ATOM 157 CG PRO A 12 1.596 17.091 -6.564 1.00 0.00 C ATOM 158 CD PRO A 12 1.582 15.619 -6.241 1.00 0.00 C ATOM 0 HA PRO A 12 4.014 16.932 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.150 18.010 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.499 18.736 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.611 17.427 -6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.290 17.304 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.572 15.266 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.962 15.024 -7.072 1.00 0.00 H new ATOM 166 N ASN A 13 1.839 16.639 -2.482 1.00 0.00 N ATOM 167 CA ASN A 13 1.654 16.882 -1.051 1.00 0.00 C ATOM 168 C ASN A 13 2.396 15.842 -0.206 1.00 0.00 C ATOM 169 O ASN A 13 2.243 15.793 1.012 1.00 0.00 O ATOM 170 CB ASN A 13 0.162 16.881 -0.700 1.00 0.00 C ATOM 171 CG ASN A 13 -0.134 17.573 0.622 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.631 18.608 0.941 1.00 0.00 O flip ATOM 173 ND2 ASN A 13 -1.063 17.199 1.338 1.00 0.00 N flip ATOM 0 H ASN A 13 1.061 16.157 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 13 2.074 17.862 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.394 17.376 -1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.195 15.852 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.631 16.398 1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.265 17.690 2.209 1.00 0.00 H new ATOM 180 N ALA A 14 3.195 15.014 -0.861 1.00 0.00 N ATOM 181 CA ALA A 14 4.006 14.021 -0.170 1.00 0.00 C ATOM 182 C ALA A 14 5.486 14.341 -0.325 1.00 0.00 C ATOM 183 O ALA A 14 6.267 14.216 0.618 1.00 0.00 O ATOM 184 CB ALA A 14 3.711 12.634 -0.714 1.00 0.00 C ATOM 0 H ALA A 14 3.300 15.010 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 14 3.755 14.045 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.323 11.900 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.657 12.401 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.941 12.604 -1.779 1.00 0.00 H new ATOM 190 N ALA A 15 5.859 14.766 -1.524 1.00 0.00 N ATOM 191 CA ALA A 15 7.247 15.083 -1.831 1.00 0.00 C ATOM 192 C ALA A 15 7.691 16.348 -1.112 1.00 0.00 C ATOM 193 O ALA A 15 8.763 16.386 -0.515 1.00 0.00 O ATOM 194 CB ALA A 15 7.435 15.229 -3.333 1.00 0.00 C ATOM 0 H ALA A 15 5.216 14.900 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 15 7.870 14.261 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.477 15.466 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.166 14.295 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.797 16.031 -3.703 1.00 0.00 H new ATOM 200 N MET A 16 6.849 17.374 -1.157 1.00 0.00 N ATOM 201 CA MET A 16 7.156 18.645 -0.509 1.00 0.00 C ATOM 202 C MET A 16 7.355 18.451 0.991 1.00 0.00 C ATOM 203 O MET A 16 8.135 19.163 1.621 1.00 0.00 O ATOM 204 CB MET A 16 6.029 19.649 -0.768 1.00 0.00 C ATOM 205 CG MET A 16 6.419 20.837 -1.636 1.00 0.00 C ATOM 206 SD MET A 16 7.581 21.971 -0.846 1.00 0.00 S ATOM 207 CE MET A 16 9.156 21.373 -1.461 1.00 0.00 C ATOM 0 H MET A 16 5.948 17.351 -1.635 1.00 0.00 H new ATOM 0 HA MET A 16 8.083 19.034 -0.930 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.199 19.127 -1.243 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.665 20.021 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.859 20.468 -2.562 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.518 21.387 -1.908 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.912 21.470 -0.681 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.061 20.325 -1.746 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.454 21.960 -2.330 1.00 0.00 H new ATOM 217 N THR A 17 6.659 17.463 1.539 1.00 0.00 N ATOM 218 CA THR A 17 6.761 17.126 2.948 1.00 0.00 C ATOM 219 C THR A 17 8.204 16.812 3.343 1.00 0.00 C ATOM 220 O THR A 17 8.763 17.454 4.232 1.00 0.00 O ATOM 221 CB THR A 17 5.863 15.919 3.272 1.00 0.00 C ATOM 222 OG1 THR A 17 4.529 16.192 2.833 1.00 0.00 O ATOM 223 CG2 THR A 17 5.864 15.603 4.765 1.00 0.00 C ATOM 0 H THR A 17 6.009 16.875 1.017 1.00 0.00 H new ATOM 0 HA THR A 17 6.429 17.992 3.521 1.00 0.00 H new ATOM 0 HB THR A 17 6.258 15.048 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.954 15.425 3.036 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.219 14.745 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.879 15.372 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.494 16.465 5.320 1.00 0.00 H new ATOM 231 N MET A 18 8.820 15.852 2.656 1.00 0.00 N ATOM 232 CA MET A 18 10.167 15.422 3.013 1.00 0.00 C ATOM 233 C MET A 18 11.191 16.512 2.711 1.00 0.00 C ATOM 234 O MET A 18 12.211 16.619 3.389 1.00 0.00 O ATOM 235 CB MET A 18 10.533 14.097 2.321 1.00 0.00 C ATOM 236 CG MET A 18 10.436 14.101 0.803 1.00 0.00 C ATOM 237 SD MET A 18 11.847 14.880 -0.006 1.00 0.00 S ATOM 238 CE MET A 18 11.460 14.530 -1.718 1.00 0.00 C ATOM 0 H MET A 18 8.413 15.363 1.859 1.00 0.00 H new ATOM 0 HA MET A 18 10.185 15.243 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.552 13.830 2.602 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.881 13.314 2.707 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.346 13.074 0.450 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.525 14.621 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.383 14.351 -2.270 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.826 13.645 -1.774 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.935 15.380 -2.154 1.00 0.00 H new ATOM 248 N THR A 19 10.902 17.335 1.712 1.00 0.00 N ATOM 249 CA THR A 19 11.770 18.448 1.371 1.00 0.00 C ATOM 250 C THR A 19 11.800 19.489 2.494 1.00 0.00 C ATOM 251 O THR A 19 12.867 19.901 2.953 1.00 0.00 O ATOM 252 CB THR A 19 11.292 19.115 0.073 1.00 0.00 C ATOM 253 OG1 THR A 19 11.141 18.132 -0.958 1.00 0.00 O ATOM 254 CG2 THR A 19 12.270 20.184 -0.380 1.00 0.00 C ATOM 0 H THR A 19 10.072 17.251 1.125 1.00 0.00 H new ATOM 0 HA THR A 19 12.777 18.055 1.232 1.00 0.00 H new ATOM 0 HB THR A 19 10.329 19.587 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.325 17.613 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.909 20.641 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.359 20.947 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.246 19.732 -0.558 1.00 0.00 H new ATOM 262 N ASN A 20 10.621 19.893 2.948 1.00 0.00 N ATOM 263 CA ASN A 20 10.500 20.940 3.952 1.00 0.00 C ATOM 264 C ASN A 20 10.930 20.448 5.329 1.00 0.00 C ATOM 265 O ASN A 20 11.477 21.211 6.126 1.00 0.00 O ATOM 266 CB ASN A 20 9.063 21.456 3.991 1.00 0.00 C ATOM 267 CG ASN A 20 8.700 22.246 2.747 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.523 22.970 2.189 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.472 22.089 2.289 1.00 0.00 N ATOM 0 H ASN A 20 9.730 19.508 2.634 1.00 0.00 H new ATOM 0 HA ASN A 20 11.167 21.756 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.380 20.613 4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.929 22.086 4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.177 22.577 1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.818 21.479 2.781 1.00 0.00 H new ATOM 276 N ASN A 21 10.695 19.171 5.610 1.00 0.00 N ATOM 277 CA ASN A 21 11.133 18.585 6.870 1.00 0.00 C ATOM 278 C ASN A 21 12.654 18.571 6.945 1.00 0.00 C ATOM 279 O ASN A 21 13.236 18.721 8.018 1.00 0.00 O ATOM 280 CB ASN A 21 10.596 17.161 7.033 1.00 0.00 C ATOM 281 CG ASN A 21 9.104 17.108 7.295 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.479 16.004 6.915 1.00 0.00 O flip ATOM 283 ND2 ASN A 21 8.519 18.040 7.840 1.00 0.00 N flip ATOM 0 H ASN A 21 10.208 18.527 4.987 1.00 0.00 H new ATOM 0 HA ASN A 21 10.737 19.198 7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.820 16.591 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.120 16.675 7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.036 18.874 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.516 17.980 8.015 1.00 0.00 H new ATOM 290 N LEU A 22 13.291 18.408 5.792 1.00 0.00 N ATOM 291 CA LEU A 22 14.745 18.425 5.705 1.00 0.00 C ATOM 292 C LEU A 22 15.277 19.783 6.139 1.00 0.00 C ATOM 293 O LEU A 22 16.223 19.876 6.924 1.00 0.00 O ATOM 294 CB LEU A 22 15.196 18.119 4.270 1.00 0.00 C ATOM 295 CG LEU A 22 16.702 18.227 4.014 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.459 17.150 4.774 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.994 18.139 2.524 1.00 0.00 C ATOM 0 H LEU A 22 12.820 18.262 4.899 1.00 0.00 H new ATOM 0 HA LEU A 22 15.144 17.658 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.873 17.110 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.680 18.800 3.593 1.00 0.00 H new ATOM 0 HG LEU A 22 17.042 19.197 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.526 17.247 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.276 17.262 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.118 16.167 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.069 18.217 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.636 17.184 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.487 18.952 2.005 1.00 0.00 H new ATOM 309 N VAL A 23 14.643 20.833 5.632 1.00 0.00 N ATOM 310 CA VAL A 23 15.031 22.197 5.951 1.00 0.00 C ATOM 311 C VAL A 23 14.868 22.475 7.441 1.00 0.00 C ATOM 312 O VAL A 23 15.776 23.000 8.087 1.00 0.00 O ATOM 313 CB VAL A 23 14.198 23.219 5.146 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.637 24.645 5.454 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.300 22.938 3.654 1.00 0.00 C ATOM 0 H VAL A 23 13.851 20.762 4.993 1.00 0.00 H new ATOM 0 HA VAL A 23 16.081 22.306 5.679 1.00 0.00 H new ATOM 0 HB VAL A 23 13.155 23.114 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.035 25.344 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.503 24.845 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.688 24.767 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.706 23.669 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.342 23.008 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.925 21.936 3.446 1.00 0.00 H new ATOM 325 N GLN A 24 13.721 22.096 7.992 1.00 0.00 N ATOM 326 CA GLN A 24 13.427 22.392 9.390 1.00 0.00 C ATOM 327 C GLN A 24 14.302 21.552 10.320 1.00 0.00 C ATOM 328 O GLN A 24 14.671 21.997 11.407 1.00 0.00 O ATOM 329 CB GLN A 24 11.939 22.180 9.697 1.00 0.00 C ATOM 330 CG GLN A 24 11.523 20.732 9.862 1.00 0.00 C ATOM 331 CD GLN A 24 10.040 20.600 10.129 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.255 20.531 9.069 1.00 0.00 O flip ATOM 333 NE2 GLN A 24 9.600 20.587 11.277 1.00 0.00 N flip ATOM 0 H GLN A 24 12.986 21.589 7.499 1.00 0.00 H new ATOM 0 HA GLN A 24 13.658 23.442 9.567 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.690 22.721 10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.350 22.623 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.781 20.175 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.082 20.285 10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.240 20.642 12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.595 20.521 11.437 1.00 0.00 H new ATOM 342 N CYS A 25 14.652 20.348 9.879 1.00 0.00 N ATOM 343 CA CYS A 25 15.527 19.479 10.651 1.00 0.00 C ATOM 344 C CYS A 25 16.940 20.049 10.682 1.00 0.00 C ATOM 345 O CYS A 25 17.565 20.130 11.741 1.00 0.00 O ATOM 346 CB CYS A 25 15.541 18.065 10.067 1.00 0.00 C ATOM 347 SG CYS A 25 16.627 16.900 10.957 1.00 0.00 S ATOM 0 H CYS A 25 14.342 19.954 8.991 1.00 0.00 H new ATOM 0 HA CYS A 25 15.144 19.425 11.670 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.524 17.672 10.071 1.00 0.00 H new ATOM 0 HB3 CYS A 25 15.858 18.117 9.026 1.00 0.00 H new ATOM 352 N ALA A 26 17.430 20.477 9.520 1.00 0.00 N ATOM 353 CA ALA A 26 18.764 21.054 9.425 1.00 0.00 C ATOM 354 C ALA A 26 18.832 22.387 10.165 1.00 0.00 C ATOM 355 O ALA A 26 19.896 22.806 10.614 1.00 0.00 O ATOM 356 CB ALA A 26 19.159 21.229 7.968 1.00 0.00 C ATOM 0 H ALA A 26 16.923 20.434 8.636 1.00 0.00 H new ATOM 0 HA ALA A 26 19.470 20.370 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.158 21.661 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.154 20.259 7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.448 21.893 7.475 1.00 0.00 H new ATOM 362 N SER A 27 17.681 23.033 10.303 1.00 0.00 N ATOM 363 CA SER A 27 17.582 24.289 11.032 1.00 0.00 C ATOM 364 C SER A 27 17.685 24.043 12.539 1.00 0.00 C ATOM 365 O SER A 27 17.815 24.978 13.330 1.00 0.00 O ATOM 366 CB SER A 27 16.254 24.978 10.703 1.00 0.00 C ATOM 367 OG SER A 27 16.248 26.335 11.122 1.00 0.00 O ATOM 0 H SER A 27 16.797 22.704 9.916 1.00 0.00 H new ATOM 0 HA SER A 27 18.406 24.935 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.074 24.928 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.437 24.444 11.188 1.00 0.00 H new ATOM 0 HG SER A 27 17.149 26.710 11.031 1.00 0.00 H new ATOM 373 N ARG A 28 17.618 22.781 12.928 1.00 0.00 N ATOM 374 CA ARG A 28 17.698 22.400 14.327 1.00 0.00 C ATOM 375 C ARG A 28 18.949 21.579 14.594 1.00 0.00 C ATOM 376 O ARG A 28 19.033 20.860 15.589 1.00 0.00 O ATOM 377 CB ARG A 28 16.467 21.611 14.718 1.00 0.00 C ATOM 378 CG ARG A 28 15.234 22.470 14.871 1.00 0.00 C ATOM 379 CD ARG A 28 14.089 21.636 15.377 1.00 0.00 C ATOM 380 NE ARG A 28 12.835 22.383 15.447 1.00 0.00 N ATOM 381 CZ ARG A 28 11.940 22.236 16.423 1.00 0.00 C ATOM 382 NH1 ARG A 28 12.172 21.389 17.416 1.00 0.00 N ATOM 383 NH2 ARG A 28 10.819 22.942 16.411 1.00 0.00 N ATOM 0 H ARG A 28 17.507 21.996 12.286 1.00 0.00 H new ATOM 0 HA ARG A 28 17.750 23.308 14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.278 20.847 13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.659 21.092 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.433 23.288 15.563 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.972 22.920 13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.957 20.773 14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.334 21.252 16.367 1.00 0.00 H new ATOM 0 HE ARG A 28 12.633 23.055 14.707 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.037 20.849 17.434 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.486 21.278 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.639 23.600 15.653 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.136 22.827 17.160 1.00 0.00 H new ATOM 397 N SER A 29 19.922 21.690 13.704 1.00 0.00 N ATOM 398 CA SER A 29 21.138 20.898 13.808 1.00 0.00 C ATOM 399 C SER A 29 22.119 21.520 14.797 1.00 0.00 C ATOM 400 O SER A 29 22.737 20.823 15.605 1.00 0.00 O ATOM 401 CB SER A 29 21.800 20.768 12.435 1.00 0.00 C ATOM 402 OG SER A 29 22.142 22.043 11.908 1.00 0.00 O ATOM 0 H SER A 29 19.894 22.320 12.902 1.00 0.00 H new ATOM 0 HA SER A 29 20.864 19.908 14.174 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.696 20.153 12.517 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.124 20.257 11.749 1.00 0.00 H new ATOM 0 HG SER A 29 21.338 22.476 11.552 1.00 0.00 H new ATOM 408 N GLY A 30 22.255 22.837 14.719 1.00 0.00 N ATOM 409 CA GLY A 30 23.246 23.536 15.509 1.00 0.00 C ATOM 410 C GLY A 30 24.545 23.654 14.742 1.00 0.00 C ATOM 411 O GLY A 30 25.508 24.274 15.198 1.00 0.00 O ATOM 0 H GLY A 30 21.691 23.437 14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.879 24.529 15.769 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.416 23.003 16.445 1.00 0.00 H new ATOM 415 N VAL A 31 24.556 23.056 13.560 1.00 0.00 N ATOM 416 CA VAL A 31 25.734 23.035 12.715 1.00 0.00 C ATOM 417 C VAL A 31 25.617 24.091 11.624 1.00 0.00 C ATOM 418 O VAL A 31 26.558 24.844 11.362 1.00 0.00 O ATOM 419 CB VAL A 31 25.922 21.652 12.061 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.206 21.611 11.248 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.916 20.553 13.113 1.00 0.00 C ATOM 0 H VAL A 31 23.750 22.574 13.163 1.00 0.00 H new ATOM 0 HA VAL A 31 26.599 23.248 13.344 1.00 0.00 H new ATOM 0 HB VAL A 31 25.085 21.480 11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.319 20.626 10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.165 22.368 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 31 28.056 21.810 11.900 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.050 19.585 12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.729 20.721 13.820 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.965 20.564 13.645 1.00 0.00 H new ATOM 431 N LEU A 32 24.448 24.144 10.999 1.00 0.00 N ATOM 432 CA LEU A 32 24.195 25.096 9.929 1.00 0.00 C ATOM 433 C LEU A 32 24.033 26.500 10.493 1.00 0.00 C ATOM 434 O LEU A 32 23.408 26.692 11.539 1.00 0.00 O ATOM 435 CB LEU A 32 22.946 24.705 9.126 1.00 0.00 C ATOM 436 CG LEU A 32 23.127 23.563 8.116 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.346 22.226 8.810 1.00 0.00 C ATOM 438 CD2 LEU A 32 21.926 23.492 7.189 1.00 0.00 C ATOM 0 H LEU A 32 23.658 23.536 11.217 1.00 0.00 H new ATOM 0 HA LEU A 32 25.054 25.081 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.161 24.422 9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.593 25.586 8.590 1.00 0.00 H new ATOM 0 HG LEU A 32 24.020 23.775 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.470 21.443 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 32 24.241 22.280 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.484 21.996 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 22.064 22.679 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 32 21.024 23.312 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 32 21.826 24.434 6.650 1.00 0.00 H new ATOM 450 N THR A 33 24.600 27.473 9.797 1.00 0.00 N ATOM 451 CA THR A 33 24.529 28.861 10.227 1.00 0.00 C ATOM 452 C THR A 33 23.204 29.474 9.781 1.00 0.00 C ATOM 453 O THR A 33 22.471 28.863 9.000 1.00 0.00 O ATOM 454 CB THR A 33 25.724 29.684 9.672 1.00 0.00 C ATOM 455 OG1 THR A 33 25.618 31.059 10.062 1.00 0.00 O ATOM 456 CG2 THR A 33 25.811 29.595 8.156 1.00 0.00 C ATOM 0 H THR A 33 25.116 27.327 8.929 1.00 0.00 H new ATOM 0 HA THR A 33 24.587 28.887 11.315 1.00 0.00 H new ATOM 0 HB THR A 33 26.632 29.255 10.096 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.547 31.621 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.659 30.183 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 33 25.944 28.554 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 33 24.893 29.983 7.715 1.00 0.00 H new ATOM 464 N ALA A 34 22.891 30.667 10.277 1.00 0.00 N ATOM 465 CA ALA A 34 21.651 31.342 9.915 1.00 0.00 C ATOM 466 C ALA A 34 21.564 31.530 8.408 1.00 0.00 C ATOM 467 O ALA A 34 20.491 31.423 7.816 1.00 0.00 O ATOM 468 CB ALA A 34 21.541 32.683 10.620 1.00 0.00 C ATOM 0 H ALA A 34 23.479 31.185 10.930 1.00 0.00 H new ATOM 0 HA ALA A 34 20.819 30.715 10.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.608 33.169 10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.555 32.529 11.699 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.381 33.315 10.333 1.00 0.00 H new ATOM 474 N ASP A 35 22.715 31.766 7.794 1.00 0.00 N ATOM 475 CA ASP A 35 22.792 31.988 6.356 1.00 0.00 C ATOM 476 C ASP A 35 22.518 30.688 5.615 1.00 0.00 C ATOM 477 O ASP A 35 21.970 30.684 4.513 1.00 0.00 O ATOM 478 CB ASP A 35 24.184 32.497 5.973 1.00 0.00 C ATOM 479 CG ASP A 35 24.771 33.440 7.003 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.393 32.947 7.974 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.618 34.667 6.852 1.00 0.00 O ATOM 0 H ASP A 35 23.615 31.809 8.273 1.00 0.00 H new ATOM 0 HA ASP A 35 22.045 32.733 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.853 31.647 5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.127 33.007 5.011 1.00 0.00 H new ATOM 486 N GLN A 36 22.881 29.585 6.259 1.00 0.00 N ATOM 487 CA GLN A 36 22.806 28.262 5.656 1.00 0.00 C ATOM 488 C GLN A 36 21.447 27.627 5.934 1.00 0.00 C ATOM 489 O GLN A 36 21.169 26.495 5.549 1.00 0.00 O ATOM 490 CB GLN A 36 23.930 27.397 6.215 1.00 0.00 C ATOM 491 CG GLN A 36 24.162 26.110 5.453 1.00 0.00 C ATOM 492 CD GLN A 36 25.335 25.324 5.994 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.663 25.405 7.178 1.00 0.00 O ATOM 494 NE2 GLN A 36 25.977 24.561 5.131 1.00 0.00 N ATOM 0 H GLN A 36 23.236 29.584 7.215 1.00 0.00 H new ATOM 0 HA GLN A 36 22.920 28.346 4.575 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.853 27.977 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.705 27.155 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.263 25.495 5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.336 26.340 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 36 25.672 24.523 4.158 1.00 0.00 H new ATOM 0 HE22 GLN A 36 26.779 24.009 5.436 1.00 0.00 H new ATOM 503 N MET A 37 20.610 28.363 6.636 1.00 0.00 N ATOM 504 CA MET A 37 19.236 27.944 6.859 1.00 0.00 C ATOM 505 C MET A 37 18.294 28.824 6.053 1.00 0.00 C ATOM 506 O MET A 37 17.076 28.649 6.073 1.00 0.00 O ATOM 507 CB MET A 37 18.886 27.996 8.344 1.00 0.00 C ATOM 508 CG MET A 37 19.670 26.998 9.185 1.00 0.00 C ATOM 509 SD MET A 37 19.267 27.085 10.940 1.00 0.00 S ATOM 510 CE MET A 37 19.896 28.707 11.359 1.00 0.00 C ATOM 0 H MET A 37 20.855 29.256 7.064 1.00 0.00 H new ATOM 0 HA MET A 37 19.126 26.911 6.528 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.073 29.002 8.719 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.820 27.804 8.465 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.471 25.990 8.822 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.737 27.179 9.053 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.832 28.855 12.437 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.936 28.787 11.043 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.303 29.469 10.853 1.00 0.00 H new ATOM 520 N ASP A 38 18.878 29.775 5.340 1.00 0.00 N ATOM 521 CA ASP A 38 18.119 30.667 4.479 1.00 0.00 C ATOM 522 C ASP A 38 18.187 30.177 3.041 1.00 0.00 C ATOM 523 O ASP A 38 17.178 30.136 2.333 1.00 0.00 O ATOM 524 CB ASP A 38 18.658 32.092 4.576 1.00 0.00 C ATOM 525 CG ASP A 38 17.901 33.054 3.686 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.666 33.172 3.847 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.538 33.705 2.834 1.00 0.00 O ATOM 0 H ASP A 38 19.883 29.949 5.342 1.00 0.00 H new ATOM 0 HA ASP A 38 17.079 30.670 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.596 32.432 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.713 32.099 4.301 1.00 0.00 H new ATOM 532 N ASP A 39 19.381 29.773 2.624 1.00 0.00 N ATOM 533 CA ASP A 39 19.574 29.213 1.294 1.00 0.00 C ATOM 534 C ASP A 39 18.884 27.855 1.190 1.00 0.00 C ATOM 535 O ASP A 39 18.370 27.496 0.131 1.00 0.00 O ATOM 536 CB ASP A 39 21.067 29.104 0.938 1.00 0.00 C ATOM 537 CG ASP A 39 21.905 28.426 2.009 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.332 27.950 3.007 1.00 0.00 O ATOM 539 OD2 ASP A 39 23.146 28.397 1.860 1.00 0.00 O ATOM 0 H ASP A 39 20.229 29.823 3.188 1.00 0.00 H new ATOM 0 HA ASP A 39 19.120 29.891 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.169 28.550 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.462 30.104 0.759 1.00 0.00 H new ATOM 544 N MET A 40 18.852 27.119 2.299 1.00 0.00 N ATOM 545 CA MET A 40 18.087 25.878 2.379 1.00 0.00 C ATOM 546 C MET A 40 16.602 26.147 2.146 1.00 0.00 C ATOM 547 O MET A 40 15.905 25.354 1.510 1.00 0.00 O ATOM 548 CB MET A 40 18.289 25.214 3.744 1.00 0.00 C ATOM 549 CG MET A 40 19.591 24.435 3.864 1.00 0.00 C ATOM 550 SD MET A 40 19.527 22.831 3.037 1.00 0.00 S ATOM 551 CE MET A 40 18.327 21.981 4.059 1.00 0.00 C ATOM 0 H MET A 40 19.349 27.362 3.156 1.00 0.00 H new ATOM 0 HA MET A 40 18.447 25.204 1.601 1.00 0.00 H new ATOM 0 HB2 MET A 40 18.263 25.981 4.518 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.454 24.540 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.403 25.025 3.439 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.824 24.286 4.918 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.640 20.947 4.205 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.256 22.478 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.354 22.000 3.569 1.00 0.00 H new ATOM 561 N GLY A 41 16.133 27.286 2.648 1.00 0.00 N ATOM 562 CA GLY A 41 14.742 27.656 2.486 1.00 0.00 C ATOM 563 C GLY A 41 14.386 27.912 1.036 1.00 0.00 C ATOM 564 O GLY A 41 13.414 27.358 0.521 1.00 0.00 O ATOM 0 H GLY A 41 16.696 27.960 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.108 26.862 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.534 28.550 3.073 1.00 0.00 H new ATOM 568 N MET A 42 15.190 28.733 0.366 1.00 0.00 N ATOM 569 CA MET A 42 14.944 29.069 -1.033 1.00 0.00 C ATOM 570 C MET A 42 15.230 27.869 -1.936 1.00 0.00 C ATOM 571 O MET A 42 14.740 27.800 -3.065 1.00 0.00 O ATOM 572 CB MET A 42 15.785 30.278 -1.459 1.00 0.00 C ATOM 573 CG MET A 42 17.272 29.993 -1.563 1.00 0.00 C ATOM 574 SD MET A 42 18.244 31.466 -1.929 1.00 0.00 S ATOM 575 CE MET A 42 18.037 32.404 -0.414 1.00 0.00 C ATOM 0 H MET A 42 16.016 29.177 0.768 1.00 0.00 H new ATOM 0 HA MET A 42 13.892 29.333 -1.138 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.426 30.635 -2.424 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.630 31.085 -0.743 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.620 29.558 -0.626 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.441 29.250 -2.342 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.986 32.863 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.288 33.181 -0.567 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.710 31.738 0.385 1.00 0.00 H new ATOM 585 N MET A 43 16.023 26.929 -1.433 1.00 0.00 N ATOM 586 CA MET A 43 16.284 25.685 -2.145 1.00 0.00 C ATOM 587 C MET A 43 15.006 24.851 -2.207 1.00 0.00 C ATOM 588 O MET A 43 14.639 24.343 -3.264 1.00 0.00 O ATOM 589 CB MET A 43 17.424 24.910 -1.462 1.00 0.00 C ATOM 590 CG MET A 43 17.739 23.553 -2.083 1.00 0.00 C ATOM 591 SD MET A 43 16.646 22.235 -1.509 1.00 0.00 S ATOM 592 CE MET A 43 17.028 22.204 0.241 1.00 0.00 C ATOM 0 H MET A 43 16.497 27.006 -0.533 1.00 0.00 H new ATOM 0 HA MET A 43 16.598 25.909 -3.164 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.325 25.522 -1.486 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.166 24.763 -0.413 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.664 23.631 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.771 23.286 -1.853 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.856 21.202 0.633 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.073 22.477 0.390 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.389 22.914 0.766 1.00 0.00 H new ATOM 602 N ALA A 44 14.311 24.750 -1.076 1.00 0.00 N ATOM 603 CA ALA A 44 13.036 24.038 -1.021 1.00 0.00 C ATOM 604 C ALA A 44 12.008 24.709 -1.927 1.00 0.00 C ATOM 605 O ALA A 44 11.185 24.042 -2.555 1.00 0.00 O ATOM 606 CB ALA A 44 12.526 23.971 0.410 1.00 0.00 C ATOM 0 H ALA A 44 14.608 25.151 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 44 13.194 23.020 -1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.576 23.438 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.252 23.446 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.384 24.981 0.793 1.00 0.00 H new ATOM 612 N ASP A 45 12.100 26.035 -2.005 1.00 0.00 N ATOM 613 CA ASP A 45 11.242 26.839 -2.877 1.00 0.00 C ATOM 614 C ASP A 45 11.532 26.534 -4.347 1.00 0.00 C ATOM 615 O ASP A 45 10.740 26.842 -5.234 1.00 0.00 O ATOM 616 CB ASP A 45 11.474 28.327 -2.593 1.00 0.00 C ATOM 617 CG ASP A 45 10.629 29.236 -3.458 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.460 29.488 -3.101 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.136 29.712 -4.494 1.00 0.00 O ATOM 0 H ASP A 45 12.771 26.583 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 45 10.201 26.589 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.257 28.529 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.527 28.561 -2.751 1.00 0.00 H new ATOM 624 N SER A 46 12.679 25.933 -4.600 1.00 0.00 N ATOM 625 CA SER A 46 13.053 25.551 -5.946 1.00 0.00 C ATOM 626 C SER A 46 12.620 24.111 -6.227 1.00 0.00 C ATOM 627 O SER A 46 12.265 23.762 -7.354 1.00 0.00 O ATOM 628 CB SER A 46 14.564 25.714 -6.127 1.00 0.00 C ATOM 629 OG SER A 46 14.972 25.404 -7.447 1.00 0.00 O ATOM 0 H SER A 46 13.370 25.699 -3.887 1.00 0.00 H new ATOM 0 HA SER A 46 12.546 26.200 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.850 26.739 -5.889 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.086 25.066 -5.423 1.00 0.00 H new ATOM 0 HG SER A 46 15.849 24.967 -7.424 1.00 0.00 H new ATOM 635 N VAL A 47 12.638 23.283 -5.186 1.00 0.00 N ATOM 636 CA VAL A 47 12.245 21.884 -5.311 1.00 0.00 C ATOM 637 C VAL A 47 10.781 21.761 -5.721 1.00 0.00 C ATOM 638 O VAL A 47 10.457 21.045 -6.668 1.00 0.00 O ATOM 639 CB VAL A 47 12.467 21.105 -3.998 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.060 19.646 -4.163 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.919 21.206 -3.559 1.00 0.00 C ATOM 0 H VAL A 47 12.921 23.558 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 47 12.878 21.451 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 47 11.840 21.550 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.224 19.114 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.005 19.591 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.659 19.188 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.058 20.651 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.563 20.787 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.179 22.252 -3.398 1.00 0.00 H new ATOM 651 N ASN A 48 9.900 22.473 -5.025 1.00 0.00 N ATOM 652 CA ASN A 48 8.474 22.405 -5.316 1.00 0.00 C ATOM 653 C ASN A 48 8.159 23.034 -6.667 1.00 0.00 C ATOM 654 O ASN A 48 7.197 22.647 -7.323 1.00 0.00 O ATOM 655 CB ASN A 48 7.639 23.053 -4.203 1.00 0.00 C ATOM 656 CG ASN A 48 8.142 24.413 -3.771 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.659 25.185 -4.569 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.002 24.706 -2.489 1.00 0.00 N ATOM 0 H ASN A 48 10.148 23.100 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 48 8.201 21.351 -5.361 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.609 23.150 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.627 22.390 -3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.330 25.603 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.566 24.035 -1.857 1.00 0.00 H new ATOM 665 N SER A 49 8.980 23.988 -7.085 1.00 0.00 N ATOM 666 CA SER A 49 8.850 24.587 -8.407 1.00 0.00 C ATOM 667 C SER A 49 8.988 23.513 -9.486 1.00 0.00 C ATOM 668 O SER A 49 8.229 23.483 -10.453 1.00 0.00 O ATOM 669 CB SER A 49 9.912 25.681 -8.594 1.00 0.00 C ATOM 670 OG SER A 49 9.844 26.261 -9.887 1.00 0.00 O ATOM 0 H SER A 49 9.745 24.365 -6.526 1.00 0.00 H new ATOM 0 HA SER A 49 7.864 25.042 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.774 26.456 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.904 25.257 -8.437 1.00 0.00 H new ATOM 0 HG SER A 49 10.532 26.954 -9.971 1.00 0.00 H new ATOM 676 N GLN A 50 9.945 22.617 -9.288 1.00 0.00 N ATOM 677 CA GLN A 50 10.200 21.535 -10.230 1.00 0.00 C ATOM 678 C GLN A 50 9.224 20.380 -10.015 1.00 0.00 C ATOM 679 O GLN A 50 8.779 19.741 -10.967 1.00 0.00 O ATOM 680 CB GLN A 50 11.639 21.047 -10.065 1.00 0.00 C ATOM 681 CG GLN A 50 12.683 22.097 -10.410 1.00 0.00 C ATOM 682 CD GLN A 50 14.054 21.755 -9.865 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.843 21.065 -10.511 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.345 22.244 -8.669 1.00 0.00 N ATOM 0 H GLN A 50 10.563 22.619 -8.476 1.00 0.00 H new ATOM 0 HA GLN A 50 10.056 21.912 -11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.788 20.724 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.792 20.173 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.743 22.203 -11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.368 23.062 -10.012 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.660 22.811 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.254 22.053 -8.247 1.00 0.00 H new ATOM 693 N MET A 51 8.886 20.129 -8.755 1.00 0.00 N ATOM 694 CA MET A 51 8.017 19.013 -8.392 1.00 0.00 C ATOM 695 C MET A 51 6.577 19.253 -8.849 1.00 0.00 C ATOM 696 O MET A 51 5.875 18.315 -9.223 1.00 0.00 O ATOM 697 CB MET A 51 8.086 18.769 -6.877 1.00 0.00 C ATOM 698 CG MET A 51 7.193 17.641 -6.373 1.00 0.00 C ATOM 699 SD MET A 51 5.511 18.185 -6.014 1.00 0.00 S ATOM 700 CE MET A 51 5.783 19.277 -4.618 1.00 0.00 C ATOM 0 H MET A 51 9.203 20.687 -7.962 1.00 0.00 H new ATOM 0 HA MET A 51 8.370 18.119 -8.907 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.118 18.547 -6.605 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.812 19.689 -6.361 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.161 16.848 -7.120 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.631 17.213 -5.472 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.839 19.449 -4.101 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.495 18.819 -3.931 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.181 20.228 -4.972 1.00 0.00 H new ATOM 710 N GLN A 52 6.135 20.503 -8.838 1.00 0.00 N ATOM 711 CA GLN A 52 4.784 20.819 -9.291 1.00 0.00 C ATOM 712 C GLN A 52 4.683 20.686 -10.805 1.00 0.00 C ATOM 713 O GLN A 52 3.607 20.442 -11.347 1.00 0.00 O ATOM 714 CB GLN A 52 4.368 22.219 -8.847 1.00 0.00 C ATOM 715 CG GLN A 52 4.201 22.349 -7.341 1.00 0.00 C ATOM 716 CD GLN A 52 3.781 23.740 -6.923 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.591 24.036 -6.822 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.751 24.608 -6.689 1.00 0.00 N ATOM 0 H GLN A 52 6.682 21.306 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 52 4.100 20.104 -8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.115 22.937 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.429 22.483 -9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.457 21.630 -6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.141 22.094 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.725 24.322 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.525 25.564 -6.413 1.00 0.00 H new ATOM 727 N LYS A 53 5.813 20.833 -11.484 1.00 0.00 N ATOM 728 CA LYS A 53 5.872 20.628 -12.925 1.00 0.00 C ATOM 729 C LYS A 53 5.991 19.140 -13.243 1.00 0.00 C ATOM 730 O LYS A 53 5.967 18.733 -14.406 1.00 0.00 O ATOM 731 CB LYS A 53 7.052 21.391 -13.524 1.00 0.00 C ATOM 732 CG LYS A 53 6.937 22.897 -13.370 1.00 0.00 C ATOM 733 CD LYS A 53 8.140 23.610 -13.960 1.00 0.00 C ATOM 734 CE LYS A 53 8.007 25.117 -13.832 1.00 0.00 C ATOM 735 NZ LYS A 53 9.168 25.835 -14.419 1.00 0.00 N ATOM 0 H LYS A 53 6.703 21.094 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 53 4.951 21.009 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.973 21.054 -13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.133 21.147 -14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.029 23.246 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.845 23.150 -12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.046 23.279 -13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.246 23.340 -15.011 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.092 25.443 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.912 25.383 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.034 26.860 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.039 25.545 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.245 25.603 -15.430 1.00 0.00 H new ATOM 749 N MET A 54 6.127 18.337 -12.196 1.00 0.00 N ATOM 750 CA MET A 54 6.194 16.893 -12.333 1.00 0.00 C ATOM 751 C MET A 54 4.786 16.318 -12.459 1.00 0.00 C ATOM 752 O MET A 54 4.463 15.651 -13.444 1.00 0.00 O ATOM 753 CB MET A 54 6.917 16.287 -11.127 1.00 0.00 C ATOM 754 CG MET A 54 7.011 14.776 -11.157 1.00 0.00 C ATOM 755 SD MET A 54 7.701 14.091 -9.639 1.00 0.00 S ATOM 756 CE MET A 54 9.317 14.853 -9.618 1.00 0.00 C ATOM 0 H MET A 54 6.193 18.669 -11.234 1.00 0.00 H new ATOM 0 HA MET A 54 6.754 16.643 -13.234 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.924 16.702 -11.074 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.399 16.590 -10.217 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.018 14.358 -11.321 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.629 14.471 -12.002 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.999 14.243 -9.026 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.694 14.934 -10.637 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.245 15.847 -9.178 1.00 0.00 H new ATOM 766 N GLY A 55 3.950 16.597 -11.467 1.00 0.00 N ATOM 767 CA GLY A 55 2.568 16.160 -11.508 1.00 0.00 C ATOM 768 C GLY A 55 2.328 14.890 -10.711 1.00 0.00 C ATOM 769 O GLY A 55 3.277 14.198 -10.343 1.00 0.00 O ATOM 0 H GLY A 55 4.206 17.121 -10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.929 16.953 -11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.275 15.994 -12.545 1.00 0.00 H new ATOM 773 N PRO A 56 1.057 14.571 -10.409 1.00 0.00 N ATOM 774 CA PRO A 56 0.696 13.341 -9.704 1.00 0.00 C ATOM 775 C PRO A 56 0.709 12.125 -10.628 1.00 0.00 C ATOM 776 O PRO A 56 0.165 12.173 -11.735 1.00 0.00 O ATOM 777 CB PRO A 56 -0.719 13.628 -9.202 1.00 0.00 C ATOM 778 CG PRO A 56 -1.285 14.604 -10.178 1.00 0.00 C ATOM 779 CD PRO A 56 -0.125 15.393 -10.734 1.00 0.00 C ATOM 0 HA PRO A 56 1.400 13.097 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.316 12.717 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.704 14.042 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.818 14.087 -10.976 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.003 15.264 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.223 15.543 -11.809 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.061 16.382 -10.279 1.00 0.00 H new ATOM 787 N ASN A 57 1.313 11.035 -10.156 1.00 0.00 N ATOM 788 CA ASN A 57 1.524 9.834 -10.975 1.00 0.00 C ATOM 789 C ASN A 57 2.327 10.187 -12.227 1.00 0.00 C ATOM 790 O ASN A 57 1.859 10.005 -13.354 1.00 0.00 O ATOM 791 CB ASN A 57 0.194 9.182 -11.376 1.00 0.00 C ATOM 792 CG ASN A 57 -0.561 8.586 -10.203 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.359 7.425 -9.839 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.463 9.366 -9.624 1.00 0.00 N ATOM 0 H ASN A 57 1.669 10.956 -9.203 1.00 0.00 H new ATOM 0 HA ASN A 57 2.082 9.116 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.435 9.927 -11.863 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.388 8.399 -12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.021 9.011 -8.847 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.599 10.321 -9.955 1.00 0.00 H new ATOM 801 N PRO A 58 3.554 10.691 -12.040 1.00 0.00 N ATOM 802 CA PRO A 58 4.365 11.233 -13.125 1.00 0.00 C ATOM 803 C PRO A 58 5.200 10.171 -13.843 1.00 0.00 C ATOM 804 O PRO A 58 5.276 9.022 -13.404 1.00 0.00 O ATOM 805 CB PRO A 58 5.261 12.212 -12.381 1.00 0.00 C ATOM 806 CG PRO A 58 5.494 11.576 -11.054 1.00 0.00 C ATOM 807 CD PRO A 58 4.263 10.764 -10.746 1.00 0.00 C ATOM 0 HA PRO A 58 3.762 11.673 -13.920 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.199 12.374 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.782 13.186 -12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.381 10.942 -11.078 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.663 12.331 -10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.521 9.772 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.650 11.241 -9.981 1.00 0.00 H new ATOM 815 N PRO A 59 5.828 10.538 -14.975 1.00 0.00 N ATOM 816 CA PRO A 59 6.708 9.633 -15.703 1.00 0.00 C ATOM 817 C PRO A 59 8.048 9.462 -14.989 1.00 0.00 C ATOM 818 O PRO A 59 8.654 10.439 -14.535 1.00 0.00 O ATOM 819 CB PRO A 59 6.887 10.318 -17.056 1.00 0.00 C ATOM 820 CG PRO A 59 6.677 11.767 -16.788 1.00 0.00 C ATOM 821 CD PRO A 59 5.720 11.857 -15.630 1.00 0.00 C ATOM 0 HA PRO A 59 6.298 8.627 -15.788 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.881 10.132 -17.463 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.169 9.944 -17.785 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.621 12.257 -16.549 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.270 12.268 -17.666 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.991 12.664 -14.950 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.702 12.053 -15.967 1.00 0.00 H new ATOM 829 N GLN A 60 8.514 8.225 -14.915 1.00 0.00 N ATOM 830 CA GLN A 60 9.693 7.884 -14.125 1.00 0.00 C ATOM 831 C GLN A 60 10.968 8.543 -14.648 1.00 0.00 C ATOM 832 O GLN A 60 11.962 8.623 -13.926 1.00 0.00 O ATOM 833 CB GLN A 60 9.860 6.369 -14.071 1.00 0.00 C ATOM 834 CG GLN A 60 8.774 5.682 -13.259 1.00 0.00 C ATOM 835 CD GLN A 60 8.785 4.178 -13.419 1.00 0.00 C ATOM 836 OE1 GLN A 60 9.457 3.462 -12.679 1.00 0.00 O ATOM 837 NE2 GLN A 60 8.032 3.689 -14.388 1.00 0.00 N ATOM 0 H GLN A 60 8.091 7.432 -15.397 1.00 0.00 H new ATOM 0 HA GLN A 60 9.531 8.273 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.854 5.972 -15.086 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.833 6.131 -13.641 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.902 5.932 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.801 6.068 -13.562 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.490 4.319 -14.980 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.993 2.682 -14.545 1.00 0.00 H new ATOM 846 N HIS A 61 10.948 9.035 -15.885 1.00 0.00 N ATOM 847 CA HIS A 61 12.115 9.726 -16.429 1.00 0.00 C ATOM 848 C HIS A 61 12.333 11.049 -15.698 1.00 0.00 C ATOM 849 O HIS A 61 13.432 11.599 -15.697 1.00 0.00 O ATOM 850 CB HIS A 61 12.002 9.947 -17.952 1.00 0.00 C ATOM 851 CG HIS A 61 10.983 10.965 -18.402 1.00 0.00 C ATOM 852 ND1 HIS A 61 9.794 10.624 -19.010 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.011 12.322 -18.383 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.142 11.721 -19.349 1.00 0.00 C ATOM 855 NE2 HIS A 61 9.858 12.768 -18.979 1.00 0.00 N ATOM 0 H HIS A 61 10.152 8.970 -16.520 1.00 0.00 H new ATOM 0 HA HIS A 61 12.983 9.087 -16.267 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.979 10.251 -18.328 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.763 8.992 -18.420 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.797 12.939 -17.973 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.184 11.757 -19.846 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.597 13.745 -19.114 1.00 0.00 H new ATOM 863 N ARG A 62 11.276 11.556 -15.071 1.00 0.00 N ATOM 864 CA ARG A 62 11.382 12.754 -14.252 1.00 0.00 C ATOM 865 C ARG A 62 11.983 12.403 -12.899 1.00 0.00 C ATOM 866 O ARG A 62 12.789 13.151 -12.354 1.00 0.00 O ATOM 867 CB ARG A 62 10.008 13.402 -14.070 1.00 0.00 C ATOM 868 CG ARG A 62 9.521 14.149 -15.301 1.00 0.00 C ATOM 869 CD ARG A 62 10.188 15.511 -15.422 1.00 0.00 C ATOM 870 NE ARG A 62 9.831 16.188 -16.669 1.00 0.00 N ATOM 871 CZ ARG A 62 8.707 16.882 -16.857 1.00 0.00 C ATOM 872 NH1 ARG A 62 7.804 16.977 -15.885 1.00 0.00 N ATOM 873 NH2 ARG A 62 8.486 17.481 -18.021 1.00 0.00 N ATOM 0 H ARG A 62 10.339 11.155 -15.115 1.00 0.00 H new ATOM 0 HA ARG A 62 12.034 13.468 -14.756 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.283 12.630 -13.813 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.050 14.093 -13.228 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.730 13.559 -16.193 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.440 14.275 -15.248 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.897 16.133 -14.576 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.270 15.390 -15.372 1.00 0.00 H new ATOM 0 HE ARG A 62 10.486 16.125 -17.448 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.969 16.518 -14.989 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.947 17.509 -16.035 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.175 17.410 -18.770 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.627 18.012 -18.166 1.00 0.00 H new ATOM 887 N LEU A 63 11.603 11.240 -12.387 1.00 0.00 N ATOM 888 CA LEU A 63 12.063 10.776 -11.083 1.00 0.00 C ATOM 889 C LEU A 63 13.579 10.649 -11.039 1.00 0.00 C ATOM 890 O LEU A 63 14.224 11.216 -10.160 1.00 0.00 O ATOM 891 CB LEU A 63 11.423 9.428 -10.730 1.00 0.00 C ATOM 892 CG LEU A 63 10.036 9.496 -10.081 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.040 10.228 -10.966 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.537 8.095 -9.765 1.00 0.00 C ATOM 0 H LEU A 63 10.971 10.594 -12.860 1.00 0.00 H new ATOM 0 HA LEU A 63 11.758 11.521 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.348 8.833 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.093 8.895 -10.055 1.00 0.00 H new ATOM 0 HG LEU A 63 10.127 10.060 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.068 10.257 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.388 11.246 -11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.949 9.707 -11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.551 8.155 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.472 7.515 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.229 7.609 -9.078 1.00 0.00 H new ATOM 906 N ARG A 64 14.143 9.926 -12.004 1.00 0.00 N ATOM 907 CA ARG A 64 15.582 9.660 -12.023 1.00 0.00 C ATOM 908 C ARG A 64 16.399 10.950 -12.033 1.00 0.00 C ATOM 909 O ARG A 64 17.440 11.038 -11.378 1.00 0.00 O ATOM 910 CB ARG A 64 15.971 8.794 -13.225 1.00 0.00 C ATOM 911 CG ARG A 64 15.804 7.298 -12.993 1.00 0.00 C ATOM 912 CD ARG A 64 14.343 6.880 -12.953 1.00 0.00 C ATOM 913 NE ARG A 64 14.185 5.459 -12.644 1.00 0.00 N ATOM 914 CZ ARG A 64 13.449 4.613 -13.367 1.00 0.00 C ATOM 915 NH1 ARG A 64 12.866 5.022 -14.487 1.00 0.00 N ATOM 916 NH2 ARG A 64 13.316 3.348 -12.983 1.00 0.00 N ATOM 0 H ARG A 64 13.628 9.514 -12.782 1.00 0.00 H new ATOM 0 HA ARG A 64 15.811 9.117 -11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.365 9.088 -14.082 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.010 8.997 -13.484 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.315 6.750 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.284 7.022 -12.054 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.817 7.474 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.878 7.095 -13.915 1.00 0.00 H new ATOM 0 HE ARG A 64 14.668 5.092 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.980 5.987 -14.798 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.304 4.372 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.777 3.022 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.753 2.703 -13.537 1.00 0.00 H new ATOM 930 N ALA A 65 15.915 11.955 -12.752 1.00 0.00 N ATOM 931 CA ALA A 65 16.628 13.222 -12.868 1.00 0.00 C ATOM 932 C ALA A 65 16.513 14.048 -11.590 1.00 0.00 C ATOM 933 O ALA A 65 17.444 14.761 -11.216 1.00 0.00 O ATOM 934 CB ALA A 65 16.107 14.012 -14.059 1.00 0.00 C ATOM 0 H ALA A 65 15.033 11.918 -13.263 1.00 0.00 H new ATOM 0 HA ALA A 65 17.683 12.999 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.648 14.956 -14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.256 13.435 -14.972 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.044 14.213 -13.926 1.00 0.00 H new ATOM 940 N MET A 66 15.379 13.930 -10.908 1.00 0.00 N ATOM 941 CA MET A 66 15.108 14.746 -9.726 1.00 0.00 C ATOM 942 C MET A 66 16.028 14.397 -8.562 1.00 0.00 C ATOM 943 O MET A 66 16.347 15.267 -7.753 1.00 0.00 O ATOM 944 CB MET A 66 13.650 14.621 -9.292 1.00 0.00 C ATOM 945 CG MET A 66 12.681 15.341 -10.217 1.00 0.00 C ATOM 946 SD MET A 66 12.985 17.116 -10.318 1.00 0.00 S ATOM 947 CE MET A 66 12.606 17.633 -8.644 1.00 0.00 C ATOM 0 H MET A 66 14.633 13.279 -11.151 1.00 0.00 H new ATOM 0 HA MET A 66 15.306 15.779 -10.011 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.381 13.566 -9.247 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.543 15.021 -8.284 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.752 14.909 -11.215 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.662 15.172 -9.868 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.934 18.491 -8.671 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.126 16.813 -8.110 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.527 17.910 -8.131 1.00 0.00 H new ATOM 957 N ASN A 67 16.455 13.138 -8.472 1.00 0.00 N ATOM 958 CA ASN A 67 17.392 12.738 -7.422 1.00 0.00 C ATOM 959 C ASN A 67 18.660 13.569 -7.541 1.00 0.00 C ATOM 960 O ASN A 67 19.111 14.192 -6.580 1.00 0.00 O ATOM 961 CB ASN A 67 17.768 11.252 -7.518 1.00 0.00 C ATOM 962 CG ASN A 67 16.582 10.331 -7.701 1.00 0.00 C ATOM 963 OD1 ASN A 67 16.357 9.908 -8.930 1.00 0.00 O flip ATOM 964 ND2 ASN A 67 15.898 9.971 -6.747 1.00 0.00 N flip ATOM 0 H ASN A 67 16.173 12.388 -9.103 1.00 0.00 H new ATOM 0 HA ASN A 67 16.902 12.903 -6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.455 11.114 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 67 18.304 10.964 -6.614 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.104 10.321 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.124 9.322 -6.890 1.00 0.00 H new ATOM 971 N THR A 68 19.203 13.592 -8.748 1.00 0.00 N ATOM 972 CA THR A 68 20.410 14.339 -9.046 1.00 0.00 C ATOM 973 C THR A 68 20.165 15.846 -8.941 1.00 0.00 C ATOM 974 O THR A 68 20.966 16.573 -8.352 1.00 0.00 O ATOM 975 CB THR A 68 20.908 13.985 -10.460 1.00 0.00 C ATOM 976 OG1 THR A 68 21.129 12.569 -10.552 1.00 0.00 O ATOM 977 CG2 THR A 68 22.191 14.730 -10.803 1.00 0.00 C ATOM 0 H THR A 68 18.817 13.092 -9.549 1.00 0.00 H new ATOM 0 HA THR A 68 21.170 14.066 -8.314 1.00 0.00 H new ATOM 0 HB THR A 68 20.143 14.288 -11.175 1.00 0.00 H new ATOM 0 HG1 THR A 68 21.444 12.345 -11.452 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.513 14.456 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.011 15.804 -10.760 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.969 14.464 -10.087 1.00 0.00 H new ATOM 985 N ALA A 69 19.042 16.300 -9.490 1.00 0.00 N ATOM 986 CA ALA A 69 18.712 17.721 -9.516 1.00 0.00 C ATOM 987 C ALA A 69 18.571 18.296 -8.109 1.00 0.00 C ATOM 988 O ALA A 69 19.159 19.333 -7.797 1.00 0.00 O ATOM 989 CB ALA A 69 17.435 17.951 -10.310 1.00 0.00 C ATOM 0 H ALA A 69 18.341 15.700 -9.925 1.00 0.00 H new ATOM 0 HA ALA A 69 19.536 18.242 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.200 19.015 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.574 17.599 -11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.615 17.404 -9.846 1.00 0.00 H new ATOM 995 N MET A 70 17.812 17.617 -7.253 1.00 0.00 N ATOM 996 CA MET A 70 17.558 18.124 -5.910 1.00 0.00 C ATOM 997 C MET A 70 18.838 18.098 -5.089 1.00 0.00 C ATOM 998 O MET A 70 19.145 19.044 -4.365 1.00 0.00 O ATOM 999 CB MET A 70 16.473 17.306 -5.199 1.00 0.00 C ATOM 1000 CG MET A 70 15.892 18.015 -3.981 1.00 0.00 C ATOM 1001 SD MET A 70 14.687 17.018 -3.076 1.00 0.00 S ATOM 1002 CE MET A 70 15.765 15.936 -2.142 1.00 0.00 C ATOM 0 H MET A 70 17.367 16.724 -7.463 1.00 0.00 H new ATOM 0 HA MET A 70 17.205 19.151 -6.004 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.670 17.089 -5.903 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.892 16.349 -4.889 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.704 18.289 -3.308 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.417 18.942 -4.302 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.170 15.334 -1.455 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.304 15.280 -2.826 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.479 16.534 -1.575 1.00 0.00 H new ATOM 1012 N ALA A 71 19.595 17.017 -5.229 1.00 0.00 N ATOM 1013 CA ALA A 71 20.833 16.854 -4.491 1.00 0.00 C ATOM 1014 C ALA A 71 21.855 17.905 -4.906 1.00 0.00 C ATOM 1015 O ALA A 71 22.679 18.331 -4.100 1.00 0.00 O ATOM 1016 CB ALA A 71 21.386 15.457 -4.695 1.00 0.00 C ATOM 0 H ALA A 71 19.369 16.240 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 71 20.622 16.992 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.315 15.348 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.661 14.724 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.579 15.293 -5.755 1.00 0.00 H new ATOM 1022 N ALA A 72 21.783 18.327 -6.163 1.00 0.00 N ATOM 1023 CA ALA A 72 22.663 19.365 -6.676 1.00 0.00 C ATOM 1024 C ALA A 72 22.446 20.677 -5.936 1.00 0.00 C ATOM 1025 O ALA A 72 23.402 21.338 -5.533 1.00 0.00 O ATOM 1026 CB ALA A 72 22.438 19.564 -8.167 1.00 0.00 C ATOM 0 H ALA A 72 21.120 17.963 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 72 23.692 19.044 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.105 20.344 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.645 18.632 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.403 19.858 -8.343 1.00 0.00 H new ATOM 1032 N GLU A 73 21.185 21.038 -5.743 1.00 0.00 N ATOM 1033 CA GLU A 73 20.843 22.282 -5.067 1.00 0.00 C ATOM 1034 C GLU A 73 21.160 22.195 -3.577 1.00 0.00 C ATOM 1035 O GLU A 73 21.498 23.196 -2.947 1.00 0.00 O ATOM 1036 CB GLU A 73 19.372 22.617 -5.293 1.00 0.00 C ATOM 1037 CG GLU A 73 19.032 22.775 -6.764 1.00 0.00 C ATOM 1038 CD GLU A 73 17.608 23.224 -6.999 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.329 24.426 -6.817 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.770 22.383 -7.383 1.00 0.00 O ATOM 0 H GLU A 73 20.382 20.487 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 73 21.448 23.084 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.753 21.830 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.127 23.539 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.713 23.498 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.196 21.825 -7.273 1.00 0.00 H new ATOM 1047 N VAL A 74 21.053 20.992 -3.021 1.00 0.00 N ATOM 1048 CA VAL A 74 21.456 20.751 -1.640 1.00 0.00 C ATOM 1049 C VAL A 74 22.973 20.870 -1.508 1.00 0.00 C ATOM 1050 O VAL A 74 23.482 21.430 -0.541 1.00 0.00 O ATOM 1051 CB VAL A 74 20.995 19.363 -1.133 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.451 19.133 0.298 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.484 19.238 -1.230 1.00 0.00 C ATOM 0 H VAL A 74 20.691 20.170 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 74 20.971 21.508 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 74 21.451 18.601 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.116 18.152 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.539 19.181 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.026 19.902 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.176 18.256 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.015 20.011 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.175 19.357 -2.269 1.00 0.00 H new ATOM 1063 N ALA A 75 23.686 20.368 -2.507 1.00 0.00 N ATOM 1064 CA ALA A 75 25.142 20.438 -2.530 1.00 0.00 C ATOM 1065 C ALA A 75 25.620 21.887 -2.519 1.00 0.00 C ATOM 1066 O ALA A 75 26.687 22.194 -1.988 1.00 0.00 O ATOM 1067 CB ALA A 75 25.684 19.720 -3.753 1.00 0.00 C ATOM 0 H ALA A 75 23.277 19.904 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 75 25.519 19.947 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.772 19.780 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.378 18.674 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.291 20.190 -4.655 1.00 0.00 H new ATOM 1073 N GLU A 76 24.814 22.770 -3.099 1.00 0.00 N ATOM 1074 CA GLU A 76 25.140 24.190 -3.163 1.00 0.00 C ATOM 1075 C GLU A 76 25.303 24.785 -1.767 1.00 0.00 C ATOM 1076 O GLU A 76 26.249 25.526 -1.510 1.00 0.00 O ATOM 1077 CB GLU A 76 24.061 24.954 -3.932 1.00 0.00 C ATOM 1078 CG GLU A 76 23.947 24.541 -5.391 1.00 0.00 C ATOM 1079 CD GLU A 76 25.182 24.888 -6.197 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.144 24.095 -6.193 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.194 25.960 -6.839 1.00 0.00 O ATOM 0 H GLU A 76 23.925 22.525 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 76 26.090 24.287 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.099 24.799 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.277 26.021 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.772 23.467 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.080 25.029 -5.835 1.00 0.00 H new ATOM 1088 N VAL A 77 24.394 24.441 -0.858 1.00 0.00 N ATOM 1089 CA VAL A 77 24.443 24.975 0.502 1.00 0.00 C ATOM 1090 C VAL A 77 25.543 24.285 1.308 1.00 0.00 C ATOM 1091 O VAL A 77 26.032 24.816 2.307 1.00 0.00 O ATOM 1092 CB VAL A 77 23.087 24.837 1.242 1.00 0.00 C ATOM 1093 CG1 VAL A 77 21.949 25.354 0.377 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.822 23.401 1.672 1.00 0.00 C ATOM 0 H VAL A 77 23.620 23.800 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 77 24.664 26.039 0.415 1.00 0.00 H new ATOM 0 HB VAL A 77 23.144 25.445 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.007 25.248 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.118 26.405 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 77 21.905 24.780 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.863 23.346 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.799 22.756 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.614 23.070 2.344 1.00 0.00 H new ATOM 1104 N VAL A 78 25.935 23.100 0.859 1.00 0.00 N ATOM 1105 CA VAL A 78 27.004 22.352 1.502 1.00 0.00 C ATOM 1106 C VAL A 78 28.362 22.891 1.061 1.00 0.00 C ATOM 1107 O VAL A 78 29.314 22.920 1.835 1.00 0.00 O ATOM 1108 CB VAL A 78 26.905 20.844 1.186 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.991 20.067 1.905 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.536 20.311 1.572 1.00 0.00 C ATOM 0 H VAL A 78 25.526 22.636 0.048 1.00 0.00 H new ATOM 0 HA VAL A 78 26.899 22.478 2.580 1.00 0.00 H new ATOM 0 HB VAL A 78 27.044 20.713 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.899 19.008 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.969 20.428 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.887 20.206 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.482 19.247 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.375 20.461 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.767 20.842 1.011 1.00 0.00 H new ATOM 1120 N ALA A 79 28.435 23.349 -0.183 1.00 0.00 N ATOM 1121 CA ALA A 79 29.650 23.957 -0.710 1.00 0.00 C ATOM 1122 C ALA A 79 29.969 25.263 0.015 1.00 0.00 C ATOM 1123 O ALA A 79 31.101 25.750 -0.026 1.00 0.00 O ATOM 1124 CB ALA A 79 29.515 24.196 -2.205 1.00 0.00 C ATOM 0 H ALA A 79 27.663 23.310 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 79 30.477 23.268 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.430 24.651 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.344 23.246 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.674 24.863 -2.392 1.00 0.00 H new ATOM 1130 N THR A 80 28.960 25.826 0.678 1.00 0.00 N ATOM 1131 CA THR A 80 29.133 27.035 1.471 1.00 0.00 C ATOM 1132 C THR A 80 29.839 26.718 2.794 1.00 0.00 C ATOM 1133 O THR A 80 30.287 27.615 3.509 1.00 0.00 O ATOM 1134 CB THR A 80 27.766 27.692 1.766 1.00 0.00 C ATOM 1135 OG1 THR A 80 26.948 27.660 0.589 1.00 0.00 O ATOM 1136 CG2 THR A 80 27.937 29.136 2.219 1.00 0.00 C ATOM 0 H THR A 80 28.009 25.458 0.679 1.00 0.00 H new ATOM 0 HA THR A 80 29.747 27.727 0.895 1.00 0.00 H new ATOM 0 HB THR A 80 27.287 27.130 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 80 26.082 28.076 0.781 1.00 0.00 H new ATOM 0 HG21 THR A 80 26.959 29.573 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 80 28.540 29.164 3.127 1.00 0.00 H new ATOM 0 HG23 THR A 80 28.435 29.707 1.435 1.00 0.00 H new ATOM 1144 N SER A 81 29.945 25.433 3.107 1.00 0.00 N ATOM 1145 CA SER A 81 30.552 24.998 4.355 1.00 0.00 C ATOM 1146 C SER A 81 32.066 24.875 4.215 1.00 0.00 C ATOM 1147 O SER A 81 32.561 24.289 3.248 1.00 0.00 O ATOM 1148 CB SER A 81 29.959 23.657 4.784 1.00 0.00 C ATOM 1149 OG SER A 81 28.548 23.737 4.860 1.00 0.00 O ATOM 0 H SER A 81 29.617 24.673 2.511 1.00 0.00 H new ATOM 0 HA SER A 81 30.339 25.748 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.247 22.882 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.365 23.367 5.753 1.00 0.00 H new ATOM 0 HG SER A 81 28.151 22.991 4.364 1.00 0.00 H new ATOM 1155 N PRO A 82 32.826 25.446 5.164 1.00 0.00 N ATOM 1156 CA PRO A 82 34.278 25.275 5.218 1.00 0.00 C ATOM 1157 C PRO A 82 34.652 23.810 5.452 1.00 0.00 C ATOM 1158 O PRO A 82 33.924 23.089 6.137 1.00 0.00 O ATOM 1159 CB PRO A 82 34.707 26.133 6.414 1.00 0.00 C ATOM 1160 CG PRO A 82 33.572 27.070 6.648 1.00 0.00 C ATOM 1161 CD PRO A 82 32.337 26.320 6.243 1.00 0.00 C ATOM 0 HA PRO A 82 34.764 25.567 4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.897 25.517 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.628 26.675 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.522 27.371 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.688 27.980 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 82 31.922 25.746 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.552 26.991 5.895 1.00 0.00 H new ATOM 1169 N PRO A 83 35.795 23.360 4.900 1.00 0.00 N ATOM 1170 CA PRO A 83 36.238 21.957 4.991 1.00 0.00 C ATOM 1171 C PRO A 83 36.208 21.405 6.416 1.00 0.00 C ATOM 1172 O PRO A 83 35.913 20.230 6.629 1.00 0.00 O ATOM 1173 CB PRO A 83 37.675 22.011 4.471 1.00 0.00 C ATOM 1174 CG PRO A 83 37.696 23.176 3.545 1.00 0.00 C ATOM 1175 CD PRO A 83 36.747 24.187 4.130 1.00 0.00 C ATOM 0 HA PRO A 83 35.581 21.293 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.387 22.140 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.945 21.090 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.701 23.588 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.385 22.883 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.266 24.902 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.243 24.761 3.353 1.00 0.00 H new ATOM 1183 N GLN A 84 36.494 22.264 7.386 1.00 0.00 N ATOM 1184 CA GLN A 84 36.539 21.857 8.787 1.00 0.00 C ATOM 1185 C GLN A 84 35.160 21.437 9.296 1.00 0.00 C ATOM 1186 O GLN A 84 35.029 20.472 10.043 1.00 0.00 O ATOM 1187 CB GLN A 84 37.070 22.998 9.652 1.00 0.00 C ATOM 1188 CG GLN A 84 38.441 23.498 9.236 1.00 0.00 C ATOM 1189 CD GLN A 84 38.921 24.644 10.101 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.584 24.732 11.280 1.00 0.00 O ATOM 1191 NE2 GLN A 84 39.700 25.535 9.516 1.00 0.00 N ATOM 0 H GLN A 84 36.699 23.251 7.229 1.00 0.00 H new ATOM 0 HA GLN A 84 37.207 20.999 8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.365 23.828 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.115 22.664 10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.157 22.678 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.407 23.820 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 84 39.955 25.423 8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.047 26.335 10.045 1.00 0.00 H new ATOM 1200 N SER A 85 34.133 22.163 8.881 1.00 0.00 N ATOM 1201 CA SER A 85 32.785 21.926 9.377 1.00 0.00 C ATOM 1202 C SER A 85 31.982 21.069 8.400 1.00 0.00 C ATOM 1203 O SER A 85 30.853 20.668 8.694 1.00 0.00 O ATOM 1204 CB SER A 85 32.078 23.265 9.606 1.00 0.00 C ATOM 1205 OG SER A 85 32.872 24.127 10.411 1.00 0.00 O ATOM 0 H SER A 85 34.207 22.921 8.202 1.00 0.00 H new ATOM 0 HA SER A 85 32.855 21.385 10.321 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.874 23.742 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.115 23.095 10.088 1.00 0.00 H new ATOM 0 HG SER A 85 32.402 24.977 10.543 1.00 0.00 H new ATOM 1211 N TYR A 86 32.582 20.778 7.249 1.00 0.00 N ATOM 1212 CA TYR A 86 31.914 20.038 6.181 1.00 0.00 C ATOM 1213 C TYR A 86 31.367 18.705 6.684 1.00 0.00 C ATOM 1214 O TYR A 86 30.212 18.364 6.426 1.00 0.00 O ATOM 1215 CB TYR A 86 32.887 19.801 5.019 1.00 0.00 C ATOM 1216 CG TYR A 86 32.260 19.117 3.821 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.146 17.732 3.768 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.781 19.855 2.747 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.572 17.104 2.681 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.208 19.232 1.654 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.103 17.857 1.628 1.00 0.00 C ATOM 1222 OH TYR A 86 30.523 17.231 0.549 1.00 0.00 O ATOM 0 H TYR A 86 33.541 21.047 7.030 1.00 0.00 H new ATOM 0 HA TYR A 86 31.072 20.637 5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.300 20.759 4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.721 19.196 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.513 17.137 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.857 20.932 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.491 16.027 2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.844 19.819 0.824 1.00 0.00 H new ATOM 0 HH TYR A 86 30.370 17.884 -0.165 1.00 0.00 H new ATOM 1232 N SER A 87 32.196 17.969 7.413 1.00 0.00 N ATOM 1233 CA SER A 87 31.836 16.642 7.897 1.00 0.00 C ATOM 1234 C SER A 87 30.587 16.687 8.777 1.00 0.00 C ATOM 1235 O SER A 87 29.748 15.785 8.732 1.00 0.00 O ATOM 1236 CB SER A 87 33.010 16.046 8.673 1.00 0.00 C ATOM 1237 OG SER A 87 34.219 16.187 7.943 1.00 0.00 O ATOM 0 H SER A 87 33.131 18.272 7.684 1.00 0.00 H new ATOM 0 HA SER A 87 31.609 16.012 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.103 16.542 9.639 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.822 14.991 8.873 1.00 0.00 H new ATOM 0 HG SER A 87 34.959 15.801 8.457 1.00 0.00 H new ATOM 1243 N ALA A 88 30.451 17.755 9.550 1.00 0.00 N ATOM 1244 CA ALA A 88 29.330 17.893 10.468 1.00 0.00 C ATOM 1245 C ALA A 88 28.057 18.222 9.702 1.00 0.00 C ATOM 1246 O ALA A 88 26.964 17.778 10.061 1.00 0.00 O ATOM 1247 CB ALA A 88 29.625 18.964 11.507 1.00 0.00 C ATOM 0 H ALA A 88 31.104 18.539 9.560 1.00 0.00 H new ATOM 0 HA ALA A 88 29.184 16.945 10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.777 19.055 12.186 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.515 18.687 12.072 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.795 19.918 11.008 1.00 0.00 H new ATOM 1253 N VAL A 89 28.212 18.985 8.632 1.00 0.00 N ATOM 1254 CA VAL A 89 27.085 19.368 7.796 1.00 0.00 C ATOM 1255 C VAL A 89 26.599 18.174 6.983 1.00 0.00 C ATOM 1256 O VAL A 89 25.400 17.902 6.915 1.00 0.00 O ATOM 1257 CB VAL A 89 27.468 20.520 6.839 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.307 20.880 5.923 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.922 21.739 7.627 1.00 0.00 C ATOM 0 H VAL A 89 29.111 19.353 8.321 1.00 0.00 H new ATOM 0 HA VAL A 89 26.285 19.711 8.453 1.00 0.00 H new ATOM 0 HB VAL A 89 28.296 20.180 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.605 21.693 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.030 20.010 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.454 21.195 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.188 22.540 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.114 22.073 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.790 21.478 8.232 1.00 0.00 H new ATOM 1269 N LEU A 90 27.548 17.456 6.395 1.00 0.00 N ATOM 1270 CA LEU A 90 27.254 16.316 5.544 1.00 0.00 C ATOM 1271 C LEU A 90 26.445 15.261 6.297 1.00 0.00 C ATOM 1272 O LEU A 90 25.424 14.778 5.803 1.00 0.00 O ATOM 1273 CB LEU A 90 28.575 15.726 5.039 1.00 0.00 C ATOM 1274 CG LEU A 90 28.509 14.917 3.740 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.934 13.530 3.979 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.695 15.659 2.689 1.00 0.00 C ATOM 0 H LEU A 90 28.544 17.650 6.497 1.00 0.00 H new ATOM 0 HA LEU A 90 26.650 16.644 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.282 16.544 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.983 15.085 5.820 1.00 0.00 H new ATOM 0 HG LEU A 90 29.528 14.796 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.901 12.983 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.563 12.993 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.925 13.619 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.659 15.069 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.682 15.817 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.160 16.623 2.482 1.00 0.00 H new ATOM 1288 N ASN A 91 26.900 14.921 7.499 1.00 0.00 N ATOM 1289 CA ASN A 91 26.214 13.927 8.325 1.00 0.00 C ATOM 1290 C ASN A 91 24.790 14.373 8.650 1.00 0.00 C ATOM 1291 O ASN A 91 23.870 13.556 8.693 1.00 0.00 O ATOM 1292 CB ASN A 91 26.983 13.666 9.626 1.00 0.00 C ATOM 1293 CG ASN A 91 28.265 12.880 9.411 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.377 12.081 8.480 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.238 13.092 10.284 1.00 0.00 N ATOM 0 H ASN A 91 27.739 15.317 7.924 1.00 0.00 H new ATOM 0 HA ASN A 91 26.170 13.001 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.223 14.619 10.097 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.341 13.121 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.119 12.585 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.106 13.762 11.042 1.00 0.00 H new ATOM 1302 N THR A 92 24.615 15.674 8.856 1.00 0.00 N ATOM 1303 CA THR A 92 23.306 16.237 9.164 1.00 0.00 C ATOM 1304 C THR A 92 22.350 16.066 7.981 1.00 0.00 C ATOM 1305 O THR A 92 21.177 15.722 8.160 1.00 0.00 O ATOM 1306 CB THR A 92 23.427 17.733 9.528 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.321 17.893 10.638 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.070 18.324 9.884 1.00 0.00 C ATOM 0 H THR A 92 25.368 16.361 8.815 1.00 0.00 H new ATOM 0 HA THR A 92 22.903 15.698 10.021 1.00 0.00 H new ATOM 0 HB THR A 92 23.817 18.261 8.658 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.247 17.834 10.323 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.187 19.378 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.396 18.227 9.033 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.654 17.791 10.739 1.00 0.00 H new ATOM 1316 N ILE A 93 22.867 16.287 6.774 1.00 0.00 N ATOM 1317 CA ILE A 93 22.075 16.158 5.555 1.00 0.00 C ATOM 1318 C ILE A 93 21.439 14.774 5.453 1.00 0.00 C ATOM 1319 O ILE A 93 20.223 14.654 5.309 1.00 0.00 O ATOM 1320 CB ILE A 93 22.927 16.423 4.291 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.527 17.833 4.331 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.096 16.233 3.028 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.496 18.941 4.427 1.00 0.00 C ATOM 0 H ILE A 93 23.837 16.558 6.615 1.00 0.00 H new ATOM 0 HA ILE A 93 21.288 16.910 5.611 1.00 0.00 H new ATOM 0 HB ILE A 93 23.743 15.701 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.203 17.905 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.128 17.987 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.716 16.425 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.720 15.210 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.256 16.928 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 93 23.001 19.907 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.834 18.898 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.911 18.815 5.338 1.00 0.00 H new ATOM 1335 N GLY A 94 22.261 13.735 5.553 1.00 0.00 N ATOM 1336 CA GLY A 94 21.761 12.378 5.414 1.00 0.00 C ATOM 1337 C GLY A 94 20.822 11.982 6.535 1.00 0.00 C ATOM 1338 O GLY A 94 19.824 11.291 6.310 1.00 0.00 O ATOM 0 H GLY A 94 23.263 13.807 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.242 12.283 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.603 11.686 5.389 1.00 0.00 H new ATOM 1342 N ALA A 95 21.129 12.443 7.735 1.00 0.00 N ATOM 1343 CA ALA A 95 20.354 12.101 8.920 1.00 0.00 C ATOM 1344 C ALA A 95 18.943 12.670 8.841 1.00 0.00 C ATOM 1345 O ALA A 95 17.969 11.985 9.146 1.00 0.00 O ATOM 1346 CB ALA A 95 21.055 12.604 10.173 1.00 0.00 C ATOM 0 H ALA A 95 21.919 13.062 7.918 1.00 0.00 H new ATOM 0 HA ALA A 95 20.277 11.015 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.464 12.341 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.041 12.144 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.163 13.687 10.119 1.00 0.00 H new ATOM 1352 N CYS A 96 18.837 13.924 8.429 1.00 0.00 N ATOM 1353 CA CYS A 96 17.540 14.567 8.297 1.00 0.00 C ATOM 1354 C CYS A 96 16.805 14.068 7.055 1.00 0.00 C ATOM 1355 O CYS A 96 15.575 13.998 7.038 1.00 0.00 O ATOM 1356 CB CYS A 96 17.701 16.089 8.249 1.00 0.00 C ATOM 1357 SG CYS A 96 18.299 16.815 9.809 1.00 0.00 S ATOM 0 H CYS A 96 19.631 14.514 8.181 1.00 0.00 H new ATOM 0 HA CYS A 96 16.942 14.307 9.170 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.396 16.346 7.450 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.741 16.539 7.994 1.00 0.00 H new ATOM 1362 N LEU A 97 17.565 13.697 6.031 1.00 0.00 N ATOM 1363 CA LEU A 97 16.992 13.244 4.768 1.00 0.00 C ATOM 1364 C LEU A 97 16.207 11.947 4.973 1.00 0.00 C ATOM 1365 O LEU A 97 15.049 11.845 4.563 1.00 0.00 O ATOM 1366 CB LEU A 97 18.113 13.046 3.731 1.00 0.00 C ATOM 1367 CG LEU A 97 17.699 13.052 2.247 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.929 11.797 1.872 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.878 14.293 1.922 1.00 0.00 C ATOM 0 H LEU A 97 18.585 13.701 6.051 1.00 0.00 H new ATOM 0 HA LEU A 97 16.301 14.001 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.855 13.831 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.606 12.097 3.942 1.00 0.00 H new ATOM 0 HG LEU A 97 18.614 13.070 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.655 11.840 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.552 10.921 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.026 11.729 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.596 14.277 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.979 14.306 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.471 15.185 2.126 1.00 0.00 H new ATOM 1381 N ARG A 98 16.835 10.972 5.627 1.00 0.00 N ATOM 1382 CA ARG A 98 16.211 9.660 5.820 1.00 0.00 C ATOM 1383 C ARG A 98 14.894 9.767 6.594 1.00 0.00 C ATOM 1384 O ARG A 98 13.888 9.170 6.208 1.00 0.00 O ATOM 1385 CB ARG A 98 17.173 8.696 6.526 1.00 0.00 C ATOM 1386 CG ARG A 98 17.735 9.221 7.835 1.00 0.00 C ATOM 1387 CD ARG A 98 18.725 8.246 8.446 1.00 0.00 C ATOM 1388 NE ARG A 98 19.277 8.748 9.703 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.378 8.267 10.279 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.056 7.281 9.702 1.00 0.00 N ATOM 1391 NH2 ARG A 98 20.802 8.786 11.424 1.00 0.00 N ATOM 0 H ARG A 98 17.768 11.062 6.030 1.00 0.00 H new ATOM 0 HA ARG A 98 15.982 9.261 4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.653 7.758 6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.001 8.470 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.225 10.179 7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.920 9.401 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.232 7.290 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.536 8.062 7.741 1.00 0.00 H new ATOM 0 HE ARG A 98 18.789 9.514 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.734 6.891 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.899 6.914 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.286 9.550 11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.644 8.421 11.869 1.00 0.00 H new ATOM 1405 N GLU A 99 14.909 10.539 7.673 1.00 0.00 N ATOM 1406 CA GLU A 99 13.714 10.760 8.485 1.00 0.00 C ATOM 1407 C GLU A 99 12.604 11.388 7.662 1.00 0.00 C ATOM 1408 O GLU A 99 11.506 10.841 7.554 1.00 0.00 O ATOM 1409 CB GLU A 99 14.039 11.684 9.656 1.00 0.00 C ATOM 1410 CG GLU A 99 14.995 11.083 10.660 1.00 0.00 C ATOM 1411 CD GLU A 99 14.353 9.977 11.471 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.337 8.822 11.009 1.00 0.00 O ATOM 1413 OE2 GLU A 99 13.851 10.257 12.577 1.00 0.00 O ATOM 0 H GLU A 99 15.740 11.026 8.010 1.00 0.00 H new ATOM 0 HA GLU A 99 13.380 9.791 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.467 12.609 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.112 11.950 10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.867 10.689 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.352 11.864 11.332 1.00 0.00 H new ATOM 1420 N SER A 100 12.910 12.543 7.095 1.00 0.00 N ATOM 1421 CA SER A 100 11.952 13.311 6.311 1.00 0.00 C ATOM 1422 C SER A 100 11.274 12.455 5.242 1.00 0.00 C ATOM 1423 O SER A 100 10.060 12.543 5.048 1.00 0.00 O ATOM 1424 CB SER A 100 12.660 14.499 5.666 1.00 0.00 C ATOM 1425 OG SER A 100 13.273 15.308 6.653 1.00 0.00 O ATOM 0 H SER A 100 13.831 12.977 7.164 1.00 0.00 H new ATOM 0 HA SER A 100 11.171 13.667 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.412 14.143 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.944 15.091 5.096 1.00 0.00 H new ATOM 0 HG SER A 100 14.216 15.057 6.742 1.00 0.00 H new ATOM 1431 N MET A 101 12.063 11.624 4.566 1.00 0.00 N ATOM 1432 CA MET A 101 11.550 10.753 3.508 1.00 0.00 C ATOM 1433 C MET A 101 10.398 9.886 3.995 1.00 0.00 C ATOM 1434 O MET A 101 9.314 9.884 3.408 1.00 0.00 O ATOM 1435 CB MET A 101 12.666 9.861 2.964 1.00 0.00 C ATOM 1436 CG MET A 101 13.497 10.520 1.878 1.00 0.00 C ATOM 1437 SD MET A 101 12.656 10.546 0.283 1.00 0.00 S ATOM 1438 CE MET A 101 12.694 8.806 -0.152 1.00 0.00 C ATOM 0 H MET A 101 13.065 11.534 4.732 1.00 0.00 H new ATOM 0 HA MET A 101 11.176 11.398 2.713 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.321 9.572 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.227 8.945 2.568 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.734 11.541 2.176 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.444 9.989 1.777 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.565 8.697 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.652 8.378 0.144 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.888 8.284 0.364 1.00 0.00 H new ATOM 1448 N MET A 102 10.620 9.164 5.084 1.00 0.00 N ATOM 1449 CA MET A 102 9.626 8.216 5.558 1.00 0.00 C ATOM 1450 C MET A 102 8.493 8.917 6.293 1.00 0.00 C ATOM 1451 O MET A 102 7.349 8.467 6.246 1.00 0.00 O ATOM 1452 CB MET A 102 10.265 7.141 6.433 1.00 0.00 C ATOM 1453 CG MET A 102 10.883 7.649 7.721 1.00 0.00 C ATOM 1454 SD MET A 102 11.724 6.336 8.622 1.00 0.00 S ATOM 1455 CE MET A 102 10.454 5.071 8.588 1.00 0.00 C ATOM 0 H MET A 102 11.468 9.216 5.648 1.00 0.00 H new ATOM 0 HA MET A 102 9.197 7.726 4.684 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.508 6.397 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.035 6.632 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.591 8.446 7.495 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.106 8.082 8.351 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.624 4.363 9.399 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.475 5.535 8.710 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.490 4.545 7.634 1.00 0.00 H new ATOM 1465 N GLN A 103 8.810 10.029 6.944 1.00 0.00 N ATOM 1466 CA GLN A 103 7.793 10.817 7.647 1.00 0.00 C ATOM 1467 C GLN A 103 6.800 11.436 6.676 1.00 0.00 C ATOM 1468 O GLN A 103 5.699 11.820 7.069 1.00 0.00 O ATOM 1469 CB GLN A 103 8.428 11.916 8.501 1.00 0.00 C ATOM 1470 CG GLN A 103 8.598 11.524 9.963 1.00 0.00 C ATOM 1471 CD GLN A 103 9.341 10.214 10.150 1.00 0.00 C ATOM 1472 OE1 GLN A 103 8.742 9.138 10.151 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.647 10.298 10.330 1.00 0.00 N ATOM 0 H GLN A 103 9.755 10.408 7.003 1.00 0.00 H new ATOM 0 HA GLN A 103 7.259 10.129 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.403 12.171 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.812 12.813 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.135 12.316 10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.615 11.446 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.105 11.209 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.197 9.452 10.477 1.00 0.00 H new ATOM 1482 N ALA A 104 7.191 11.546 5.414 1.00 0.00 N ATOM 1483 CA ALA A 104 6.291 12.043 4.390 1.00 0.00 C ATOM 1484 C ALA A 104 5.166 11.046 4.162 1.00 0.00 C ATOM 1485 O ALA A 104 4.002 11.348 4.418 1.00 0.00 O ATOM 1486 CB ALA A 104 7.045 12.308 3.096 1.00 0.00 C ATOM 0 H ALA A 104 8.122 11.298 5.078 1.00 0.00 H new ATOM 0 HA ALA A 104 5.861 12.986 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.352 12.680 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.822 13.052 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.502 11.383 2.745 1.00 0.00 H new ATOM 1492 N THR A 105 5.535 9.850 3.702 1.00 0.00 N ATOM 1493 CA THR A 105 4.577 8.776 3.433 1.00 0.00 C ATOM 1494 C THR A 105 5.227 7.685 2.584 1.00 0.00 C ATOM 1495 O THR A 105 4.840 6.518 2.653 1.00 0.00 O ATOM 1496 CB THR A 105 3.311 9.294 2.701 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.341 8.245 2.570 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.660 9.837 1.323 1.00 0.00 C ATOM 0 H THR A 105 6.504 9.598 3.506 1.00 0.00 H new ATOM 0 HA THR A 105 4.275 8.372 4.399 1.00 0.00 H new ATOM 0 HB THR A 105 2.890 10.102 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.548 8.588 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.754 10.193 0.832 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.366 10.661 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.110 9.046 0.723 1.00 0.00 H new ATOM 1506 N GLY A 106 6.240 8.069 1.811 1.00 0.00 N ATOM 1507 CA GLY A 106 6.830 7.162 0.844 1.00 0.00 C ATOM 1508 C GLY A 106 8.007 6.379 1.390 1.00 0.00 C ATOM 1509 O GLY A 106 8.840 5.914 0.616 1.00 0.00 O ATOM 0 H GLY A 106 6.663 8.997 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.067 6.464 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.155 7.732 -0.026 1.00 0.00 H new ATOM 1513 N SER A 107 8.066 6.225 2.719 1.00 0.00 N ATOM 1514 CA SER A 107 9.170 5.550 3.400 1.00 0.00 C ATOM 1515 C SER A 107 10.527 6.133 2.995 1.00 0.00 C ATOM 1516 O SER A 107 10.605 7.140 2.292 1.00 0.00 O ATOM 1517 CB SER A 107 9.120 4.024 3.188 1.00 0.00 C ATOM 1518 OG SER A 107 9.056 3.660 1.818 1.00 0.00 O ATOM 0 H SER A 107 7.344 6.568 3.352 1.00 0.00 H new ATOM 0 HA SER A 107 9.049 5.732 4.468 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.003 3.570 3.639 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.252 3.618 3.708 1.00 0.00 H new ATOM 0 HG SER A 107 9.350 4.414 1.265 1.00 0.00 H new ATOM 1524 N VAL A 108 11.592 5.535 3.483 1.00 0.00 N ATOM 1525 CA VAL A 108 12.918 6.008 3.176 1.00 0.00 C ATOM 1526 C VAL A 108 13.642 5.009 2.277 1.00 0.00 C ATOM 1527 O VAL A 108 14.142 3.979 2.727 1.00 0.00 O ATOM 1528 CB VAL A 108 13.710 6.312 4.468 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.552 5.198 5.488 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.177 6.569 4.167 1.00 0.00 C ATOM 0 H VAL A 108 11.562 4.719 4.095 1.00 0.00 H new ATOM 0 HA VAL A 108 12.839 6.946 2.627 1.00 0.00 H new ATOM 0 HB VAL A 108 13.293 7.221 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.121 5.442 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.499 5.087 5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.923 4.264 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.707 6.780 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.611 5.689 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.267 7.423 3.496 1.00 0.00 H new ATOM 1540 N ASP A 109 13.639 5.316 0.987 1.00 0.00 N ATOM 1541 CA ASP A 109 14.239 4.455 -0.026 1.00 0.00 C ATOM 1542 C ASP A 109 15.762 4.497 0.032 1.00 0.00 C ATOM 1543 O ASP A 109 16.358 5.519 0.385 1.00 0.00 O ATOM 1544 CB ASP A 109 13.755 4.875 -1.417 1.00 0.00 C ATOM 1545 CG ASP A 109 14.570 4.249 -2.531 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.569 3.005 -2.653 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.244 4.997 -3.261 1.00 0.00 O ATOM 0 H ASP A 109 13.221 6.168 0.612 1.00 0.00 H new ATOM 0 HA ASP A 109 13.927 3.430 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.709 4.592 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.804 5.961 -1.502 1.00 0.00 H new ATOM 1552 N ASN A 110 16.382 3.381 -0.329 1.00 0.00 N ATOM 1553 CA ASN A 110 17.830 3.256 -0.302 1.00 0.00 C ATOM 1554 C ASN A 110 18.473 4.012 -1.453 1.00 0.00 C ATOM 1555 O ASN A 110 19.454 4.724 -1.263 1.00 0.00 O ATOM 1556 CB ASN A 110 18.246 1.784 -0.359 1.00 0.00 C ATOM 1557 CG ASN A 110 18.050 1.067 0.961 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.187 1.661 2.030 1.00 0.00 O ATOM 1559 ND2 ASN A 110 17.728 -0.214 0.896 1.00 0.00 N ATOM 0 H ASN A 110 15.897 2.542 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 110 18.177 3.692 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.668 1.277 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.294 1.718 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.583 -0.748 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 110 17.624 -0.668 -0.011 1.00 0.00 H new ATOM 1566 N ALA A 111 17.915 3.872 -2.646 1.00 0.00 N ATOM 1567 CA ALA A 111 18.501 4.490 -3.826 1.00 0.00 C ATOM 1568 C ALA A 111 18.530 6.006 -3.691 1.00 0.00 C ATOM 1569 O ALA A 111 19.557 6.637 -3.930 1.00 0.00 O ATOM 1570 CB ALA A 111 17.741 4.087 -5.079 1.00 0.00 C ATOM 0 H ALA A 111 17.063 3.340 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 111 19.528 4.134 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.196 4.560 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.778 3.004 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.703 4.407 -4.994 1.00 0.00 H new ATOM 1576 N PHE A 112 17.402 6.577 -3.290 1.00 0.00 N ATOM 1577 CA PHE A 112 17.283 8.020 -3.109 1.00 0.00 C ATOM 1578 C PHE A 112 18.280 8.532 -2.071 1.00 0.00 C ATOM 1579 O PHE A 112 18.956 9.536 -2.295 1.00 0.00 O ATOM 1580 CB PHE A 112 15.854 8.380 -2.694 1.00 0.00 C ATOM 1581 CG PHE A 112 15.569 9.856 -2.698 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.187 10.492 -3.865 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.678 10.605 -1.537 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.919 11.845 -3.877 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.410 11.960 -1.544 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.030 12.580 -2.718 1.00 0.00 C ATOM 0 H PHE A 112 16.549 6.059 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 112 17.512 8.501 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.155 7.884 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.667 7.987 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.097 9.922 -4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.976 10.124 -0.617 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.622 12.328 -4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.497 12.534 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.820 13.639 -2.727 1.00 0.00 H new ATOM 1596 N THR A 113 18.378 7.843 -0.939 1.00 0.00 N ATOM 1597 CA THR A 113 19.311 8.244 0.108 1.00 0.00 C ATOM 1598 C THR A 113 20.766 8.134 -0.359 1.00 0.00 C ATOM 1599 O THR A 113 21.592 8.984 -0.030 1.00 0.00 O ATOM 1600 CB THR A 113 19.103 7.428 1.401 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.906 6.044 1.096 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.908 7.950 2.182 1.00 0.00 C ATOM 0 H THR A 113 17.828 7.011 -0.724 1.00 0.00 H new ATOM 0 HA THR A 113 19.102 9.291 0.329 1.00 0.00 H new ATOM 0 HB THR A 113 20.000 7.536 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.971 5.894 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.780 7.360 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.075 8.994 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.010 7.871 1.569 1.00 0.00 H new ATOM 1610 N ASN A 114 21.071 7.104 -1.145 1.00 0.00 N ATOM 1611 CA ASN A 114 22.403 6.926 -1.697 1.00 0.00 C ATOM 1612 C ASN A 114 22.690 7.973 -2.761 1.00 0.00 C ATOM 1613 O ASN A 114 23.813 8.460 -2.871 1.00 0.00 O ATOM 1614 CB ASN A 114 22.530 5.532 -2.298 1.00 0.00 C ATOM 1615 CG ASN A 114 22.878 4.475 -1.271 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.049 4.180 -1.028 1.00 0.00 O ATOM 1617 ND2 ASN A 114 21.860 3.901 -0.659 1.00 0.00 N ATOM 0 H ASN A 114 20.406 6.378 -1.413 1.00 0.00 H new ATOM 0 HA ASN A 114 23.129 7.043 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.591 5.264 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 114 23.297 5.545 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 114 22.028 3.183 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 114 20.905 4.175 -0.891 1.00 0.00 H new ATOM 1624 N GLU A 115 21.676 8.300 -3.551 1.00 0.00 N ATOM 1625 CA GLU A 115 21.775 9.372 -4.519 1.00 0.00 C ATOM 1626 C GLU A 115 22.181 10.662 -3.823 1.00 0.00 C ATOM 1627 O GLU A 115 23.185 11.275 -4.174 1.00 0.00 O ATOM 1628 CB GLU A 115 20.434 9.556 -5.219 1.00 0.00 C ATOM 1629 CG GLU A 115 20.257 8.717 -6.477 1.00 0.00 C ATOM 1630 CD GLU A 115 21.196 9.124 -7.598 1.00 0.00 C ATOM 1631 OE1 GLU A 115 20.953 10.169 -8.240 1.00 0.00 O ATOM 1632 OE2 GLU A 115 22.170 8.387 -7.854 1.00 0.00 O ATOM 0 H GLU A 115 20.770 7.831 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 115 22.533 9.118 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.636 9.310 -4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.316 10.608 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.424 7.668 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.227 8.804 -6.823 1.00 0.00 H new ATOM 1639 N VAL A 116 21.409 11.047 -2.815 1.00 0.00 N ATOM 1640 CA VAL A 116 21.699 12.251 -2.044 1.00 0.00 C ATOM 1641 C VAL A 116 23.095 12.187 -1.417 1.00 0.00 C ATOM 1642 O VAL A 116 23.896 13.106 -1.572 1.00 0.00 O ATOM 1643 CB VAL A 116 20.640 12.478 -0.937 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.982 13.699 -0.096 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.254 12.633 -1.550 1.00 0.00 C ATOM 0 H VAL A 116 20.576 10.543 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 116 21.665 13.091 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 116 20.641 11.604 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 116 20.222 13.835 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.954 13.555 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 116 21.015 14.582 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.522 12.792 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.249 13.488 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.999 11.730 -2.105 1.00 0.00 H new ATOM 1655 N MET A 117 23.400 11.081 -0.755 1.00 0.00 N ATOM 1656 CA MET A 117 24.662 10.944 -0.022 1.00 0.00 C ATOM 1657 C MET A 117 25.859 10.735 -0.943 1.00 0.00 C ATOM 1658 O MET A 117 26.993 10.633 -0.478 1.00 0.00 O ATOM 1659 CB MET A 117 24.562 9.801 0.990 1.00 0.00 C ATOM 1660 CG MET A 117 23.738 10.129 2.235 1.00 0.00 C ATOM 1661 SD MET A 117 24.616 11.136 3.460 1.00 0.00 S ATOM 1662 CE MET A 117 24.615 12.765 2.709 1.00 0.00 C ATOM 0 H MET A 117 22.794 10.262 -0.707 1.00 0.00 H new ATOM 0 HA MET A 117 24.830 11.884 0.504 1.00 0.00 H new ATOM 0 HB2 MET A 117 24.123 8.933 0.497 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.568 9.517 1.299 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.833 10.654 1.930 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.423 9.197 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.593 13.525 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 117 25.515 12.889 2.107 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.736 12.872 2.073 1.00 0.00 H new ATOM 1672 N GLN A 118 25.616 10.669 -2.240 1.00 0.00 N ATOM 1673 CA GLN A 118 26.701 10.634 -3.204 1.00 0.00 C ATOM 1674 C GLN A 118 26.772 11.963 -3.942 1.00 0.00 C ATOM 1675 O GLN A 118 27.828 12.592 -4.015 1.00 0.00 O ATOM 1676 CB GLN A 118 26.512 9.482 -4.196 1.00 0.00 C ATOM 1677 CG GLN A 118 27.605 9.402 -5.250 1.00 0.00 C ATOM 1678 CD GLN A 118 27.417 8.238 -6.199 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.884 7.192 -5.828 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.849 8.409 -7.435 1.00 0.00 N ATOM 0 H GLN A 118 24.682 10.639 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 118 27.638 10.469 -2.672 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.479 8.541 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.548 9.595 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.623 10.331 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.573 9.311 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.286 9.290 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.746 7.660 -8.119 1.00 0.00 H new ATOM 1689 N LEU A 119 25.630 12.398 -4.459 1.00 0.00 N ATOM 1690 CA LEU A 119 25.536 13.619 -5.242 1.00 0.00 C ATOM 1691 C LEU A 119 25.882 14.855 -4.421 1.00 0.00 C ATOM 1692 O LEU A 119 26.582 15.739 -4.908 1.00 0.00 O ATOM 1693 CB LEU A 119 24.128 13.751 -5.825 1.00 0.00 C ATOM 1694 CG LEU A 119 23.888 13.053 -7.168 1.00 0.00 C ATOM 1695 CD1 LEU A 119 24.509 13.851 -8.293 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.423 11.627 -7.166 1.00 0.00 C ATOM 0 H LEU A 119 24.741 11.911 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 119 26.265 13.552 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.417 13.354 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.904 14.811 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 119 22.811 12.998 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 119 24.331 13.343 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 119 24.062 14.845 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 119 25.582 13.941 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.234 11.166 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 119 25.496 11.641 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 119 23.923 11.052 -6.387 1.00 0.00 H new ATOM 1708 N VAL A 120 25.417 14.912 -3.174 1.00 0.00 N ATOM 1709 CA VAL A 120 25.652 16.089 -2.340 1.00 0.00 C ATOM 1710 C VAL A 120 27.144 16.281 -2.081 1.00 0.00 C ATOM 1711 O VAL A 120 27.634 17.407 -2.012 1.00 0.00 O ATOM 1712 CB VAL A 120 24.878 16.010 -1.003 1.00 0.00 C ATOM 1713 CG1 VAL A 120 25.310 17.109 -0.046 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.383 16.110 -1.255 1.00 0.00 C ATOM 0 H VAL A 120 24.883 14.169 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 120 25.278 16.954 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 120 25.106 15.048 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.747 17.024 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.375 17.010 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 120 25.119 18.082 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.849 16.053 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 120 23.159 17.059 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 120 23.067 15.289 -1.899 1.00 0.00 H new ATOM 1724 N LYS A 121 27.866 15.177 -1.979 1.00 0.00 N ATOM 1725 CA LYS A 121 29.302 15.224 -1.759 1.00 0.00 C ATOM 1726 C LYS A 121 30.028 15.507 -3.069 1.00 0.00 C ATOM 1727 O LYS A 121 30.901 16.367 -3.136 1.00 0.00 O ATOM 1728 CB LYS A 121 29.788 13.897 -1.180 1.00 0.00 C ATOM 1729 CG LYS A 121 29.051 13.476 0.079 1.00 0.00 C ATOM 1730 CD LYS A 121 29.579 12.160 0.627 1.00 0.00 C ATOM 1731 CE LYS A 121 30.970 12.325 1.228 1.00 0.00 C ATOM 1732 NZ LYS A 121 31.569 11.025 1.643 1.00 0.00 N ATOM 0 H LYS A 121 27.480 14.235 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 121 29.518 16.025 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.675 13.118 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.852 13.975 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.153 14.253 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.987 13.379 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 121 28.896 11.780 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 121 29.612 11.419 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 121 31.623 12.806 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.913 12.988 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 32.514 11.191 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.962 10.576 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 31.650 10.400 0.816 1.00 0.00 H new ATOM 1746 N MET A 122 29.633 14.787 -4.110 1.00 0.00 N ATOM 1747 CA MET A 122 30.281 14.877 -5.415 1.00 0.00 C ATOM 1748 C MET A 122 30.126 16.258 -6.047 1.00 0.00 C ATOM 1749 O MET A 122 31.040 16.749 -6.704 1.00 0.00 O ATOM 1750 CB MET A 122 29.709 13.802 -6.349 1.00 0.00 C ATOM 1751 CG MET A 122 30.189 13.902 -7.790 1.00 0.00 C ATOM 1752 SD MET A 122 29.475 12.625 -8.850 1.00 0.00 S ATOM 1753 CE MET A 122 27.722 12.981 -8.713 1.00 0.00 C ATOM 0 H MET A 122 28.857 14.126 -4.076 1.00 0.00 H new ATOM 0 HA MET A 122 31.348 14.711 -5.266 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.974 12.820 -5.958 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.621 13.868 -6.336 1.00 0.00 H new ATOM 0 HG2 MET A 122 29.932 14.884 -8.187 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.276 13.823 -7.813 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.203 12.595 -9.590 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.323 12.506 -7.817 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.574 14.059 -8.649 1.00 0.00 H new ATOM 1763 N LEU A 123 28.979 16.882 -5.841 1.00 0.00 N ATOM 1764 CA LEU A 123 28.698 18.164 -6.470 1.00 0.00 C ATOM 1765 C LEU A 123 29.157 19.328 -5.598 1.00 0.00 C ATOM 1766 O LEU A 123 28.852 20.484 -5.884 1.00 0.00 O ATOM 1767 CB LEU A 123 27.207 18.279 -6.783 1.00 0.00 C ATOM 1768 CG LEU A 123 26.683 17.239 -7.775 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.176 17.346 -7.910 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.348 17.408 -9.134 1.00 0.00 C ATOM 0 H LEU A 123 28.230 16.526 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 123 29.260 18.213 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.646 18.190 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 123 27.008 19.274 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 123 26.929 16.249 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.820 16.599 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.711 17.175 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.913 18.341 -8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.961 16.658 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.134 18.404 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.426 17.283 -9.030 1.00 0.00 H new ATOM 1782 N SER A 124 29.902 19.022 -4.547 1.00 0.00 N ATOM 1783 CA SER A 124 30.469 20.059 -3.700 1.00 0.00 C ATOM 1784 C SER A 124 31.978 19.874 -3.612 1.00 0.00 C ATOM 1785 O SER A 124 32.747 20.737 -4.046 1.00 0.00 O ATOM 1786 CB SER A 124 29.833 20.021 -2.305 1.00 0.00 C ATOM 1787 OG SER A 124 29.907 18.722 -1.739 1.00 0.00 O ATOM 0 H SER A 124 30.127 18.069 -4.261 1.00 0.00 H new ATOM 0 HA SER A 124 30.258 21.035 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 124 30.339 20.733 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.791 20.333 -2.370 1.00 0.00 H new ATOM 0 HG SER A 124 29.084 18.230 -1.940 1.00 0.00 H new ATOM 1793 N ALA A 125 32.375 18.727 -3.065 1.00 0.00 N ATOM 1794 CA ALA A 125 33.769 18.318 -2.964 1.00 0.00 C ATOM 1795 C ALA A 125 33.861 16.994 -2.224 1.00 0.00 C ATOM 1796 O ALA A 125 33.795 16.951 -0.992 1.00 0.00 O ATOM 1797 CB ALA A 125 34.610 19.362 -2.253 1.00 0.00 C ATOM 0 H ALA A 125 31.724 18.046 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 125 34.160 18.207 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 125 35.644 19.020 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 125 34.567 20.301 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 125 34.224 19.516 -1.245 1.00 0.00 H new