USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 866 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 36 THR OG1 : rot 136:sc= 1.35 USER MOD Set 1.2: A 82 MET CE :methyl -175:sc= -3.96! (180deg=-4.03!) USER MOD Set 2.1: A 20 GLN : amide:sc= 0.529 K(o=1.7,f=-6.7!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 167:sc= 1.2 (180deg=0.000337) USER MOD Set 3.1: A 13 THR OG1 : rot -179:sc= 0.681 USER MOD Set 3.2: A 16 THR OG1 : rot 87:sc= 0.733 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 11 CYS SG : rot -130:sc= -0.584 USER MOD Single : A 12 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 22 GLN : amide:sc= -1.4! X(o=-1.4!,f=-1.4) USER MOD Single : A 25 ASN : amide:sc= -0.146 K(o=-0.15,f=-2!) USER MOD Single : A 27 SER OG : rot 94:sc= 0.709 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0517 (180deg=-0.401) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.26) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.0283 (180deg=-0.273) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0.872 (180deg=0.679) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 82:sc= 1.18 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 84 THR OG1 : rot 69:sc= 0.851 USER MOD Single : A 86 MET CE :methyl -160:sc= -0.135 (180deg=-0.708) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.13) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0134 (180deg=-0.204) USER MOD Single : A 102 LYS NZ :NH3+ -125:sc= 0.00112 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -3.15! K(o=-3.2!,f=-0.97) USER MOD Single : A 107 SER OG : rot 74:sc= 0.544 USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= -2.03 K(o=-2,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.599 -0.494 -11.975 1.00 0.00 N ATOM 70 CA GLY A 6 -3.697 -1.621 -11.838 1.00 0.00 C ATOM 71 C GLY A 6 -2.284 -1.203 -11.535 1.00 0.00 C ATOM 72 O GLY A 6 -1.351 -2.004 -11.658 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.057 -2.274 -11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.709 -2.204 -12.759 1.00 0.00 H new ATOM 76 N GLN A 7 -2.109 0.034 -11.139 1.00 0.00 N ATOM 77 CA GLN A 7 -0.793 0.533 -10.848 1.00 0.00 C ATOM 78 C GLN A 7 -0.450 0.484 -9.405 1.00 0.00 C ATOM 79 O GLN A 7 -1.231 0.865 -8.532 1.00 0.00 O ATOM 80 CB GLN A 7 -0.554 1.923 -11.383 1.00 0.00 C ATOM 81 CG GLN A 7 -1.595 2.955 -10.971 1.00 0.00 C ATOM 82 CD GLN A 7 -1.258 4.354 -11.437 1.00 0.00 C ATOM 83 OE1 GLN A 7 -0.095 4.713 -11.572 1.00 0.00 O ATOM 84 NE2 GLN A 7 -2.271 5.147 -11.685 1.00 0.00 N ATOM 0 H GLN A 7 -2.862 0.711 -11.012 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.127 -0.152 -11.373 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.426 2.262 -11.047 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -0.520 1.877 -12.471 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.565 2.667 -11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -1.691 2.953 -9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.225 4.809 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.105 6.102 -12.003 1.00 0.00 H new ATOM 93 N VAL A 8 0.699 -0.012 -9.178 1.00 0.00 N ATOM 94 CA VAL A 8 1.292 -0.079 -7.877 1.00 0.00 C ATOM 95 C VAL A 8 2.560 0.749 -7.935 1.00 0.00 C ATOM 96 O VAL A 8 3.461 0.431 -8.713 1.00 0.00 O ATOM 97 CB VAL A 8 1.643 -1.540 -7.489 1.00 0.00 C ATOM 98 CG1 VAL A 8 2.258 -1.597 -6.106 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.413 -2.434 -7.554 1.00 0.00 C ATOM 0 H VAL A 8 1.289 -0.402 -9.913 1.00 0.00 H new ATOM 0 HA VAL A 8 0.595 0.295 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 8 2.373 -1.908 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.496 -2.631 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.170 -1.001 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.551 -1.201 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.688 -3.452 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.344 -2.062 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.013 -2.429 -8.568 1.00 0.00 H new ATOM 109 N ILE A 9 2.651 1.793 -7.161 1.00 0.00 N ATOM 110 CA ILE A 9 3.825 2.626 -7.239 1.00 0.00 C ATOM 111 C ILE A 9 4.900 2.108 -6.312 1.00 0.00 C ATOM 112 O ILE A 9 4.756 2.138 -5.084 1.00 0.00 O ATOM 113 CB ILE A 9 3.501 4.106 -6.940 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.471 4.633 -7.954 1.00 0.00 C ATOM 115 CG2 ILE A 9 4.769 4.969 -6.957 1.00 0.00 C ATOM 116 CD1 ILE A 9 2.912 4.556 -9.412 1.00 0.00 C ATOM 0 H ILE A 9 1.947 2.086 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 9 4.197 2.581 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 9 3.076 4.168 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.546 4.068 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.242 5.671 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.507 6.005 -6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.465 4.607 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.237 4.909 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.122 4.949 -10.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.818 5.146 -9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.111 3.518 -9.678 1.00 0.00 H new ATOM 128 N ALA A 10 5.967 1.629 -6.893 1.00 0.00 N ATOM 129 CA ALA A 10 7.048 1.076 -6.135 1.00 0.00 C ATOM 130 C ALA A 10 8.072 2.139 -5.833 1.00 0.00 C ATOM 131 O ALA A 10 8.796 2.606 -6.722 1.00 0.00 O ATOM 132 CB ALA A 10 7.674 -0.094 -6.868 1.00 0.00 C ATOM 0 H ALA A 10 6.108 1.613 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 10 6.655 0.703 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.493 -0.499 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.923 -0.868 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.056 0.243 -7.832 1.00 0.00 H new ATOM 138 N CYS A 11 8.127 2.527 -4.595 1.00 0.00 N ATOM 139 CA CYS A 11 9.018 3.523 -4.163 1.00 0.00 C ATOM 140 C CYS A 11 10.226 2.855 -3.567 1.00 0.00 C ATOM 141 O CYS A 11 10.131 2.149 -2.567 1.00 0.00 O ATOM 142 CB CYS A 11 8.355 4.369 -3.110 1.00 0.00 C ATOM 143 SG CYS A 11 6.715 4.977 -3.577 1.00 0.00 S ATOM 0 H CYS A 11 7.538 2.145 -3.856 1.00 0.00 H new ATOM 0 HA CYS A 11 9.308 4.153 -5.004 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.267 3.786 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.997 5.221 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 11 6.650 6.258 -3.364 1.00 0.00 H new ATOM 149 N HIS A 12 11.339 3.039 -4.191 1.00 0.00 N ATOM 150 CA HIS A 12 12.580 2.502 -3.691 1.00 0.00 C ATOM 151 C HIS A 12 13.398 3.650 -3.182 1.00 0.00 C ATOM 152 O HIS A 12 14.543 3.495 -2.778 1.00 0.00 O ATOM 153 CB HIS A 12 13.346 1.768 -4.795 1.00 0.00 C ATOM 154 CG HIS A 12 12.601 0.622 -5.409 1.00 0.00 C ATOM 155 ND1 HIS A 12 12.845 -0.689 -5.098 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.621 0.605 -6.341 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.051 -1.463 -5.811 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.298 -0.703 -6.572 1.00 0.00 N ATOM 0 H HIS A 12 11.425 3.564 -5.062 1.00 0.00 H new ATOM 0 HA HIS A 12 12.378 1.783 -2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.601 2.481 -5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.285 1.397 -4.384 1.00 0.00 H new ATOM 0 HD1 HIS A 12 13.534 -1.016 -4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.175 1.467 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.024 -2.542 -5.775 1.00 0.00 H new ATOM 167 N THR A 13 12.784 4.816 -3.193 1.00 0.00 N ATOM 168 CA THR A 13 13.433 6.024 -2.791 1.00 0.00 C ATOM 169 C THR A 13 12.484 6.818 -1.934 1.00 0.00 C ATOM 170 O THR A 13 11.251 6.759 -2.142 1.00 0.00 O ATOM 171 CB THR A 13 13.854 6.884 -4.016 1.00 0.00 C ATOM 172 OG1 THR A 13 12.709 7.184 -4.831 1.00 0.00 O ATOM 173 CG2 THR A 13 14.902 6.178 -4.861 1.00 0.00 C ATOM 0 H THR A 13 11.815 4.941 -3.485 1.00 0.00 H new ATOM 0 HA THR A 13 14.335 5.763 -2.237 1.00 0.00 H new ATOM 0 HB THR A 13 14.286 7.808 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.989 7.714 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.172 6.809 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.788 5.985 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.499 5.233 -5.226 1.00 0.00 H new ATOM 181 N VAL A 14 13.020 7.545 -0.980 1.00 0.00 N ATOM 182 CA VAL A 14 12.200 8.362 -0.120 1.00 0.00 C ATOM 183 C VAL A 14 11.607 9.534 -0.926 1.00 0.00 C ATOM 184 O VAL A 14 10.580 10.081 -0.572 1.00 0.00 O ATOM 185 CB VAL A 14 12.989 8.868 1.132 1.00 0.00 C ATOM 186 CG1 VAL A 14 14.134 9.799 0.753 1.00 0.00 C ATOM 187 CG2 VAL A 14 12.060 9.510 2.156 1.00 0.00 C ATOM 0 H VAL A 14 14.020 7.586 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 14 11.383 7.748 0.259 1.00 0.00 H new ATOM 0 HB VAL A 14 13.437 7.991 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.652 10.124 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.832 9.271 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.738 10.669 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.642 9.850 3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.551 10.360 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.322 8.779 2.486 1.00 0.00 H new ATOM 197 N GLU A 15 12.268 9.871 -2.031 1.00 0.00 N ATOM 198 CA GLU A 15 11.837 10.934 -2.935 1.00 0.00 C ATOM 199 C GLU A 15 10.452 10.625 -3.516 1.00 0.00 C ATOM 200 O GLU A 15 9.540 11.462 -3.460 1.00 0.00 O ATOM 201 CB GLU A 15 12.835 11.039 -4.072 1.00 0.00 C ATOM 202 CG GLU A 15 12.574 12.150 -5.054 1.00 0.00 C ATOM 203 CD GLU A 15 13.513 12.074 -6.215 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.191 11.368 -7.192 1.00 0.00 O ATOM 205 OE2 GLU A 15 14.579 12.692 -6.179 1.00 0.00 O ATOM 0 H GLU A 15 13.128 9.408 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 15 11.783 11.871 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.830 11.176 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.846 10.093 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.545 12.091 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.684 13.113 -4.556 1.00 0.00 H new ATOM 212 N THR A 16 10.304 9.427 -4.068 1.00 0.00 N ATOM 213 CA THR A 16 9.046 9.007 -4.653 1.00 0.00 C ATOM 214 C THR A 16 7.992 8.881 -3.557 1.00 0.00 C ATOM 215 O THR A 16 6.860 9.336 -3.712 1.00 0.00 O ATOM 216 CB THR A 16 9.218 7.656 -5.382 1.00 0.00 C ATOM 217 OG1 THR A 16 10.296 7.773 -6.318 1.00 0.00 O ATOM 218 CG2 THR A 16 7.949 7.275 -6.137 1.00 0.00 C ATOM 0 H THR A 16 11.046 8.729 -4.121 1.00 0.00 H new ATOM 0 HA THR A 16 8.724 9.753 -5.379 1.00 0.00 H new ATOM 0 HB THR A 16 9.427 6.883 -4.642 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.143 7.569 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.098 6.320 -6.641 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.120 7.189 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.721 8.043 -6.876 1.00 0.00 H new ATOM 226 N TRP A 17 8.405 8.299 -2.443 1.00 0.00 N ATOM 227 CA TRP A 17 7.561 8.120 -1.278 1.00 0.00 C ATOM 228 C TRP A 17 7.006 9.468 -0.780 1.00 0.00 C ATOM 229 O TRP A 17 5.803 9.608 -0.530 1.00 0.00 O ATOM 230 CB TRP A 17 8.385 7.415 -0.195 1.00 0.00 C ATOM 231 CG TRP A 17 7.718 7.289 1.124 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.087 7.903 2.275 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.560 6.520 1.434 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.244 7.552 3.283 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.292 6.707 2.797 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.725 5.693 0.695 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.224 6.096 3.437 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.667 5.089 1.329 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.423 5.293 2.688 1.00 0.00 C ATOM 0 H TRP A 17 9.350 7.933 -2.323 1.00 0.00 H new ATOM 0 HA TRP A 17 6.697 7.507 -1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 17 8.644 6.418 -0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.320 7.959 -0.061 1.00 0.00 H new ATOM 0 HD1 TRP A 17 8.928 8.573 2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.313 7.871 4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.904 5.528 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.036 6.252 4.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.011 4.443 0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.581 4.803 3.154 1.00 0.00 H new ATOM 250 N ASN A 18 7.888 10.445 -0.676 1.00 0.00 N ATOM 251 CA ASN A 18 7.545 11.790 -0.224 1.00 0.00 C ATOM 252 C ASN A 18 6.502 12.414 -1.147 1.00 0.00 C ATOM 253 O ASN A 18 5.537 13.038 -0.680 1.00 0.00 O ATOM 254 CB ASN A 18 8.804 12.669 -0.202 1.00 0.00 C ATOM 255 CG ASN A 18 8.574 14.052 0.384 1.00 0.00 C ATOM 256 OD1 ASN A 18 8.195 14.980 -0.315 1.00 0.00 O ATOM 257 ND2 ASN A 18 8.850 14.206 1.653 1.00 0.00 N ATOM 0 H ASN A 18 8.875 10.330 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 18 7.130 11.723 0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.579 12.164 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.181 12.773 -1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.751 15.123 2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.164 13.409 2.207 1.00 0.00 H new ATOM 264 N GLU A 19 6.686 12.224 -2.453 1.00 0.00 N ATOM 265 CA GLU A 19 5.763 12.764 -3.446 1.00 0.00 C ATOM 266 C GLU A 19 4.397 12.127 -3.297 1.00 0.00 C ATOM 267 O GLU A 19 3.392 12.820 -3.260 1.00 0.00 O ATOM 268 CB GLU A 19 6.273 12.543 -4.882 1.00 0.00 C ATOM 269 CG GLU A 19 5.367 13.166 -5.951 1.00 0.00 C ATOM 270 CD GLU A 19 5.844 12.922 -7.361 1.00 0.00 C ATOM 271 OE1 GLU A 19 6.887 13.487 -7.749 1.00 0.00 O ATOM 272 OE2 GLU A 19 5.165 12.179 -8.123 1.00 0.00 O ATOM 0 H GLU A 19 7.467 11.699 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 19 5.692 13.837 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.274 12.965 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.360 11.473 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.360 12.763 -5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.301 14.240 -5.779 1.00 0.00 H new ATOM 279 N GLN A 20 4.379 10.809 -3.182 1.00 0.00 N ATOM 280 CA GLN A 20 3.177 10.054 -3.081 1.00 0.00 C ATOM 281 C GLN A 20 2.318 10.434 -1.894 1.00 0.00 C ATOM 282 O GLN A 20 1.095 10.474 -2.005 1.00 0.00 O ATOM 283 CB GLN A 20 3.505 8.603 -3.055 1.00 0.00 C ATOM 284 CG GLN A 20 4.024 8.061 -4.374 1.00 0.00 C ATOM 285 CD GLN A 20 3.002 8.195 -5.482 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.956 9.198 -6.182 1.00 0.00 O ATOM 287 NE2 GLN A 20 2.179 7.195 -5.643 1.00 0.00 N ATOM 0 H GLN A 20 5.225 10.239 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 20 2.578 10.287 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.252 8.424 -2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.613 8.045 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.933 8.594 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.294 7.012 -4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.248 6.375 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.467 7.233 -6.372 1.00 0.00 H new ATOM 296 N LEU A 21 2.939 10.725 -0.771 1.00 0.00 N ATOM 297 CA LEU A 21 2.225 11.111 0.383 1.00 0.00 C ATOM 298 C LEU A 21 1.586 12.465 0.210 1.00 0.00 C ATOM 299 O LEU A 21 0.398 12.635 0.513 1.00 0.00 O ATOM 300 CB LEU A 21 3.136 11.092 1.560 1.00 0.00 C ATOM 301 CG LEU A 21 3.688 9.736 1.998 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.601 9.911 3.192 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.557 8.765 2.327 1.00 0.00 C ATOM 0 H LEU A 21 3.952 10.695 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 21 1.417 10.398 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.981 11.746 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.604 11.528 2.405 1.00 0.00 H new ATOM 0 HG LEU A 21 4.261 9.314 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.990 8.940 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.430 10.566 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.041 10.354 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.977 7.808 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.951 9.173 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.934 8.620 1.445 1.00 0.00 H new ATOM 315 N GLN A 22 2.351 13.421 -0.281 1.00 0.00 N ATOM 316 CA GLN A 22 1.812 14.732 -0.559 1.00 0.00 C ATOM 317 C GLN A 22 0.717 14.620 -1.595 1.00 0.00 C ATOM 318 O GLN A 22 -0.328 15.222 -1.455 1.00 0.00 O ATOM 319 CB GLN A 22 2.900 15.717 -1.007 1.00 0.00 C ATOM 320 CG GLN A 22 2.375 17.106 -1.393 1.00 0.00 C ATOM 321 CD GLN A 22 1.569 17.787 -0.289 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.796 17.562 0.906 1.00 0.00 O ATOM 323 NE2 GLN A 22 0.643 18.627 -0.678 1.00 0.00 N ATOM 0 H GLN A 22 3.343 13.312 -0.494 1.00 0.00 H new ATOM 0 HA GLN A 22 1.391 15.131 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.627 15.827 -0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.430 15.292 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.219 17.742 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.751 17.015 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.485 18.787 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.080 19.122 0.014 1.00 0.00 H new ATOM 332 N LYS A 23 0.961 13.809 -2.608 1.00 0.00 N ATOM 333 CA LYS A 23 0.006 13.554 -3.667 1.00 0.00 C ATOM 334 C LYS A 23 -1.309 13.021 -3.100 1.00 0.00 C ATOM 335 O LYS A 23 -2.383 13.469 -3.512 1.00 0.00 O ATOM 336 CB LYS A 23 0.591 12.564 -4.680 1.00 0.00 C ATOM 337 CG LYS A 23 -0.333 12.219 -5.843 1.00 0.00 C ATOM 338 CD LYS A 23 0.312 11.217 -6.798 1.00 0.00 C ATOM 339 CE LYS A 23 1.576 11.774 -7.454 1.00 0.00 C ATOM 340 NZ LYS A 23 2.226 10.773 -8.321 1.00 0.00 N ATOM 0 H LYS A 23 1.840 13.303 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.202 14.496 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.516 12.979 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.854 11.644 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.265 11.806 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.588 13.128 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.559 10.306 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.405 10.941 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.322 12.656 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.275 12.096 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.942 11.240 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.684 10.048 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.512 10.324 -8.929 1.00 0.00 H new ATOM 354 N ALA A 24 -1.229 12.092 -2.146 1.00 0.00 N ATOM 355 CA ALA A 24 -2.425 11.531 -1.553 1.00 0.00 C ATOM 356 C ALA A 24 -3.137 12.572 -0.703 1.00 0.00 C ATOM 357 O ALA A 24 -4.330 12.790 -0.846 1.00 0.00 O ATOM 358 CB ALA A 24 -2.081 10.305 -0.723 1.00 0.00 C ATOM 0 H ALA A 24 -0.354 11.721 -1.776 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.098 11.225 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.991 9.896 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.615 9.553 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.390 10.586 0.072 1.00 0.00 H new ATOM 364 N ASN A 25 -2.376 13.231 0.144 1.00 0.00 N ATOM 365 CA ASN A 25 -2.888 14.235 1.089 1.00 0.00 C ATOM 366 C ASN A 25 -3.559 15.377 0.336 1.00 0.00 C ATOM 367 O ASN A 25 -4.730 15.700 0.558 1.00 0.00 O ATOM 368 CB ASN A 25 -1.689 14.805 1.851 1.00 0.00 C ATOM 369 CG ASN A 25 -2.043 15.696 3.045 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.077 16.366 3.078 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.180 15.708 4.025 1.00 0.00 N ATOM 0 H ASN A 25 -1.367 13.092 0.207 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.613 13.774 1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.076 13.976 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.077 15.381 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.352 16.284 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.334 15.142 3.966 1.00 0.00 H new ATOM 378 N GLU A 26 -2.809 15.939 -0.576 1.00 0.00 N ATOM 379 CA GLU A 26 -3.211 17.097 -1.369 1.00 0.00 C ATOM 380 C GLU A 26 -4.451 16.813 -2.208 1.00 0.00 C ATOM 381 O GLU A 26 -5.376 17.632 -2.261 1.00 0.00 O ATOM 382 CB GLU A 26 -2.050 17.503 -2.269 1.00 0.00 C ATOM 383 CG GLU A 26 -2.266 18.736 -3.107 1.00 0.00 C ATOM 384 CD GLU A 26 -1.058 19.035 -3.949 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.092 19.641 -3.430 1.00 0.00 O ATOM 386 OE2 GLU A 26 -1.043 18.662 -5.134 1.00 0.00 O ATOM 0 H GLU A 26 -1.873 15.602 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.465 17.909 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.170 17.661 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.823 16.670 -2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.135 18.595 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.482 19.586 -2.460 1.00 0.00 H new ATOM 393 N SER A 27 -4.490 15.655 -2.825 1.00 0.00 N ATOM 394 CA SER A 27 -5.580 15.300 -3.698 1.00 0.00 C ATOM 395 C SER A 27 -6.746 14.682 -2.921 1.00 0.00 C ATOM 396 O SER A 27 -7.796 14.374 -3.506 1.00 0.00 O ATOM 397 CB SER A 27 -5.070 14.334 -4.741 1.00 0.00 C ATOM 398 OG SER A 27 -3.917 14.865 -5.399 1.00 0.00 O ATOM 0 H SER A 27 -3.771 14.937 -2.736 1.00 0.00 H new ATOM 0 HA SER A 27 -5.957 16.203 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.821 13.382 -4.272 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.853 14.134 -5.473 1.00 0.00 H new ATOM 0 HG SER A 27 -3.107 14.546 -4.949 1.00 0.00 H new ATOM 404 N LYS A 28 -6.553 14.511 -1.595 1.00 0.00 N ATOM 405 CA LYS A 28 -7.517 13.939 -0.691 1.00 0.00 C ATOM 406 C LYS A 28 -7.775 12.451 -1.061 1.00 0.00 C ATOM 407 O LYS A 28 -8.782 11.841 -0.697 1.00 0.00 O ATOM 408 CB LYS A 28 -8.790 14.765 -0.703 1.00 0.00 C ATOM 409 CG LYS A 28 -9.751 14.343 0.334 1.00 0.00 C ATOM 410 CD LYS A 28 -11.088 15.041 0.219 1.00 0.00 C ATOM 411 CE LYS A 28 -12.044 14.533 1.282 1.00 0.00 C ATOM 412 NZ LYS A 28 -12.301 13.076 1.153 1.00 0.00 N ATOM 0 H LYS A 28 -5.687 14.783 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.126 13.957 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.539 15.815 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.261 14.686 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.902 13.266 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.326 14.542 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.954 16.117 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.511 14.870 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.632 14.742 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.987 15.075 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.164 12.828 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.424 12.833 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.495 12.546 1.542 1.00 0.00 H new ATOM 426 N THR A 29 -6.804 11.869 -1.701 1.00 0.00 N ATOM 427 CA THR A 29 -6.897 10.528 -2.171 1.00 0.00 C ATOM 428 C THR A 29 -6.483 9.572 -1.054 1.00 0.00 C ATOM 429 O THR A 29 -5.602 9.875 -0.229 1.00 0.00 O ATOM 430 CB THR A 29 -5.977 10.316 -3.374 1.00 0.00 C ATOM 431 OG1 THR A 29 -6.127 11.419 -4.285 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.340 9.034 -4.117 1.00 0.00 C ATOM 0 H THR A 29 -5.915 12.323 -1.912 1.00 0.00 H new ATOM 0 HA THR A 29 -7.926 10.334 -2.472 1.00 0.00 H new ATOM 0 HB THR A 29 -4.952 10.245 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.538 11.288 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.672 8.905 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.239 8.182 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.369 9.097 -4.470 1.00 0.00 H new ATOM 440 N LEU A 30 -7.129 8.471 -1.016 1.00 0.00 N ATOM 441 CA LEU A 30 -6.865 7.444 -0.048 1.00 0.00 C ATOM 442 C LEU A 30 -5.669 6.612 -0.584 1.00 0.00 C ATOM 443 O LEU A 30 -5.582 6.344 -1.793 1.00 0.00 O ATOM 444 CB LEU A 30 -8.165 6.586 0.130 1.00 0.00 C ATOM 445 CG LEU A 30 -8.224 5.443 1.190 1.00 0.00 C ATOM 446 CD1 LEU A 30 -9.649 4.931 1.298 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.326 4.271 0.828 1.00 0.00 C ATOM 0 H LEU A 30 -7.878 8.239 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.602 7.842 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.977 7.277 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.389 6.138 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.878 5.862 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.693 4.132 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.306 5.745 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.972 4.547 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.403 3.503 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.637 3.857 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.293 4.612 0.758 1.00 0.00 H new ATOM 459 N VAL A 31 -4.763 6.236 0.287 1.00 0.00 N ATOM 460 CA VAL A 31 -3.573 5.529 -0.127 1.00 0.00 C ATOM 461 C VAL A 31 -3.378 4.211 0.667 1.00 0.00 C ATOM 462 O VAL A 31 -3.625 4.155 1.868 1.00 0.00 O ATOM 463 CB VAL A 31 -2.322 6.468 -0.021 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.120 6.980 1.390 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.065 5.807 -0.538 1.00 0.00 C ATOM 0 H VAL A 31 -4.827 6.408 1.290 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.694 5.241 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.527 7.325 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.243 7.627 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.999 7.545 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.973 6.137 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.226 6.497 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.862 4.907 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.199 5.540 -1.586 1.00 0.00 H new ATOM 475 N VAL A 32 -2.974 3.163 -0.020 1.00 0.00 N ATOM 476 CA VAL A 32 -2.703 1.878 0.599 1.00 0.00 C ATOM 477 C VAL A 32 -1.275 1.485 0.301 1.00 0.00 C ATOM 478 O VAL A 32 -0.887 1.344 -0.866 1.00 0.00 O ATOM 479 CB VAL A 32 -3.656 0.773 0.103 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.322 -0.569 0.752 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.104 1.142 0.374 1.00 0.00 C ATOM 0 H VAL A 32 -2.823 3.176 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.862 1.982 1.672 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.520 0.678 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.009 -1.332 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.299 -0.850 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.419 -0.484 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.756 0.346 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.251 1.275 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.346 2.070 -0.144 1.00 0.00 H new ATOM 491 N VAL A 33 -0.493 1.315 1.327 1.00 0.00 N ATOM 492 CA VAL A 33 0.908 1.034 1.153 1.00 0.00 C ATOM 493 C VAL A 33 1.284 -0.282 1.810 1.00 0.00 C ATOM 494 O VAL A 33 0.927 -0.520 2.960 1.00 0.00 O ATOM 495 CB VAL A 33 1.775 2.151 1.783 1.00 0.00 C ATOM 496 CG1 VAL A 33 3.247 1.905 1.519 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.351 3.532 1.290 1.00 0.00 C ATOM 0 H VAL A 33 -0.800 1.366 2.298 1.00 0.00 H new ATOM 0 HA VAL A 33 1.093 0.978 0.080 1.00 0.00 H new ATOM 0 HB VAL A 33 1.616 2.126 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.836 2.703 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.539 0.948 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.426 1.887 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.980 4.292 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.459 3.581 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.310 3.710 1.559 1.00 0.00 H new ATOM 507 N ASP A 34 1.979 -1.128 1.081 1.00 0.00 N ATOM 508 CA ASP A 34 2.510 -2.360 1.643 1.00 0.00 C ATOM 509 C ASP A 34 4.018 -2.282 1.707 1.00 0.00 C ATOM 510 O ASP A 34 4.693 -2.027 0.683 1.00 0.00 O ATOM 511 CB ASP A 34 2.083 -3.596 0.856 1.00 0.00 C ATOM 512 CG ASP A 34 2.741 -4.869 1.385 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.299 -5.401 2.395 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.727 -5.325 0.767 1.00 0.00 O ATOM 0 H ASP A 34 2.192 -0.988 0.093 1.00 0.00 H new ATOM 0 HA ASP A 34 2.098 -2.464 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.999 -3.701 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.342 -3.464 -0.194 1.00 0.00 H new ATOM 519 N PHE A 35 4.549 -2.464 2.885 1.00 0.00 N ATOM 520 CA PHE A 35 5.949 -2.410 3.099 1.00 0.00 C ATOM 521 C PHE A 35 6.502 -3.824 3.188 1.00 0.00 C ATOM 522 O PHE A 35 6.146 -4.586 4.104 1.00 0.00 O ATOM 523 CB PHE A 35 6.227 -1.706 4.421 1.00 0.00 C ATOM 524 CG PHE A 35 5.744 -0.281 4.533 1.00 0.00 C ATOM 525 CD1 PHE A 35 4.469 0.001 5.007 1.00 0.00 C ATOM 526 CD2 PHE A 35 6.572 0.772 4.189 1.00 0.00 C ATOM 527 CE1 PHE A 35 4.033 1.305 5.132 1.00 0.00 C ATOM 528 CE2 PHE A 35 6.139 2.080 4.308 1.00 0.00 C ATOM 529 CZ PHE A 35 4.869 2.346 4.781 1.00 0.00 C ATOM 0 H PHE A 35 4.005 -2.656 3.727 1.00 0.00 H new ATOM 0 HA PHE A 35 6.418 -1.873 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.768 -2.287 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.303 -1.717 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.811 -0.810 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.568 0.571 3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.040 1.510 5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.794 2.893 4.031 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.530 3.367 4.876 1.00 0.00 H new ATOM 539 N THR A 36 7.350 -4.176 2.260 1.00 0.00 N ATOM 540 CA THR A 36 7.979 -5.457 2.264 1.00 0.00 C ATOM 541 C THR A 36 9.265 -5.393 1.447 1.00 0.00 C ATOM 542 O THR A 36 9.606 -4.351 0.918 1.00 0.00 O ATOM 543 CB THR A 36 7.044 -6.576 1.752 1.00 0.00 C ATOM 544 OG1 THR A 36 7.653 -7.853 1.991 1.00 0.00 O ATOM 545 CG2 THR A 36 6.771 -6.432 0.265 1.00 0.00 C ATOM 0 H THR A 36 7.621 -3.577 1.480 1.00 0.00 H new ATOM 0 HA THR A 36 8.219 -5.713 3.296 1.00 0.00 H new ATOM 0 HB THR A 36 6.098 -6.497 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.984 -8.472 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.110 -7.235 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.296 -5.470 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.711 -6.488 -0.285 1.00 0.00 H new ATOM 553 N ALA A 37 9.970 -6.473 1.369 1.00 0.00 N ATOM 554 CA ALA A 37 11.174 -6.539 0.592 1.00 0.00 C ATOM 555 C ALA A 37 10.971 -7.553 -0.505 1.00 0.00 C ATOM 556 O ALA A 37 10.287 -8.563 -0.295 1.00 0.00 O ATOM 557 CB ALA A 37 12.358 -6.909 1.461 1.00 0.00 C ATOM 0 H ALA A 37 9.729 -7.343 1.844 1.00 0.00 H new ATOM 0 HA ALA A 37 11.389 -5.563 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.259 -6.953 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.485 -6.159 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.183 -7.882 1.919 1.00 0.00 H new ATOM 563 N SER A 38 11.548 -7.296 -1.656 1.00 0.00 N ATOM 564 CA SER A 38 11.393 -8.160 -2.836 1.00 0.00 C ATOM 565 C SER A 38 11.796 -9.632 -2.595 1.00 0.00 C ATOM 566 O SER A 38 11.342 -10.520 -3.307 1.00 0.00 O ATOM 567 CB SER A 38 12.159 -7.576 -4.022 1.00 0.00 C ATOM 568 OG SER A 38 13.540 -7.380 -3.700 1.00 0.00 O ATOM 0 H SER A 38 12.143 -6.483 -1.816 1.00 0.00 H new ATOM 0 HA SER A 38 10.326 -8.181 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.074 -8.245 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.713 -6.626 -4.314 1.00 0.00 H new ATOM 0 HG SER A 38 14.007 -7.007 -4.477 1.00 0.00 H new ATOM 574 N TRP A 39 12.619 -9.880 -1.591 1.00 0.00 N ATOM 575 CA TRP A 39 13.096 -11.227 -1.297 1.00 0.00 C ATOM 576 C TRP A 39 12.154 -12.016 -0.367 1.00 0.00 C ATOM 577 O TRP A 39 12.485 -13.116 0.091 1.00 0.00 O ATOM 578 CB TRP A 39 14.550 -11.200 -0.778 1.00 0.00 C ATOM 579 CG TRP A 39 14.818 -10.284 0.381 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.317 -9.034 0.302 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.624 -10.549 1.780 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.449 -8.493 1.553 1.00 0.00 N ATOM 583 CE2 TRP A 39 15.026 -9.399 2.476 1.00 0.00 C ATOM 584 CE3 TRP A 39 14.148 -11.636 2.506 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.970 -9.305 3.858 1.00 0.00 C ATOM 586 CZ3 TRP A 39 14.092 -11.542 3.883 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.500 -10.383 4.544 1.00 0.00 C ATOM 0 H TRP A 39 12.975 -9.163 -0.959 1.00 0.00 H new ATOM 0 HA TRP A 39 13.092 -11.775 -2.239 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.830 -12.213 -0.488 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.204 -10.912 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.576 -8.531 -0.618 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.807 -7.561 1.760 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.828 -12.536 2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.288 -8.410 4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.726 -12.380 4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.442 -10.340 5.622 1.00 0.00 H new ATOM 598 N CYS A 40 10.988 -11.475 -0.118 1.00 0.00 N ATOM 599 CA CYS A 40 10.012 -12.137 0.718 1.00 0.00 C ATOM 600 C CYS A 40 9.090 -13.026 -0.123 1.00 0.00 C ATOM 601 O CYS A 40 8.429 -12.546 -1.052 1.00 0.00 O ATOM 602 CB CYS A 40 9.203 -11.105 1.492 1.00 0.00 C ATOM 603 SG CYS A 40 7.873 -11.805 2.524 1.00 0.00 S ATOM 0 H CYS A 40 10.688 -10.572 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 40 10.538 -12.775 1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.879 -10.536 2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.764 -10.401 0.785 1.00 0.00 H new ATOM 608 N GLY A 41 9.043 -14.312 0.225 1.00 0.00 N ATOM 609 CA GLY A 41 8.248 -15.299 -0.503 1.00 0.00 C ATOM 610 C GLY A 41 6.739 -15.046 -0.451 1.00 0.00 C ATOM 611 O GLY A 41 6.131 -14.775 -1.483 1.00 0.00 O ATOM 0 H GLY A 41 9.555 -14.698 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.568 -15.311 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.454 -16.289 -0.095 1.00 0.00 H new ATOM 615 N PRO A 42 6.093 -15.128 0.745 1.00 0.00 N ATOM 616 CA PRO A 42 4.641 -14.888 0.894 1.00 0.00 C ATOM 617 C PRO A 42 4.237 -13.506 0.378 1.00 0.00 C ATOM 618 O PRO A 42 3.131 -13.301 -0.112 1.00 0.00 O ATOM 619 CB PRO A 42 4.401 -14.986 2.414 1.00 0.00 C ATOM 620 CG PRO A 42 5.755 -14.884 3.031 1.00 0.00 C ATOM 621 CD PRO A 42 6.708 -15.475 2.036 1.00 0.00 C ATOM 0 HA PRO A 42 4.050 -15.601 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.748 -14.185 2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.918 -15.927 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.009 -13.846 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.794 -15.424 3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.708 -15.052 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.805 -16.554 2.161 1.00 0.00 H new ATOM 629 N CYS A 43 5.153 -12.579 0.482 1.00 0.00 N ATOM 630 CA CYS A 43 4.949 -11.225 0.027 1.00 0.00 C ATOM 631 C CYS A 43 4.875 -11.186 -1.502 1.00 0.00 C ATOM 632 O CYS A 43 4.080 -10.451 -2.079 1.00 0.00 O ATOM 633 CB CYS A 43 6.090 -10.374 0.512 1.00 0.00 C ATOM 634 SG CYS A 43 6.353 -10.484 2.317 1.00 0.00 S ATOM 0 H CYS A 43 6.073 -12.743 0.890 1.00 0.00 H new ATOM 0 HA CYS A 43 4.009 -10.842 0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.003 -10.676 -0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.901 -9.335 0.241 1.00 0.00 H new ATOM 639 N ARG A 44 5.690 -11.995 -2.146 1.00 0.00 N ATOM 640 CA ARG A 44 5.693 -12.103 -3.598 1.00 0.00 C ATOM 641 C ARG A 44 4.430 -12.840 -4.048 1.00 0.00 C ATOM 642 O ARG A 44 3.893 -12.595 -5.130 1.00 0.00 O ATOM 643 CB ARG A 44 6.941 -12.860 -4.038 1.00 0.00 C ATOM 644 CG ARG A 44 7.107 -13.031 -5.535 1.00 0.00 C ATOM 645 CD ARG A 44 8.374 -13.802 -5.834 1.00 0.00 C ATOM 646 NE ARG A 44 9.556 -13.120 -5.303 1.00 0.00 N ATOM 647 CZ ARG A 44 10.607 -13.727 -4.749 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.622 -15.041 -4.608 1.00 0.00 N ATOM 649 NH2 ARG A 44 11.629 -13.012 -4.313 1.00 0.00 N ATOM 0 H ARG A 44 6.370 -12.598 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 44 5.703 -11.112 -4.052 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.816 -12.339 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.927 -13.847 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.246 -13.558 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.144 -12.055 -6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.304 -14.800 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.479 -13.928 -6.912 1.00 0.00 H new ATOM 0 HE ARG A 44 9.577 -12.102 -5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.827 -15.597 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.428 -15.499 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.614 -11.996 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.432 -13.476 -3.889 1.00 0.00 H new ATOM 663 N PHE A 45 3.965 -13.717 -3.187 1.00 0.00 N ATOM 664 CA PHE A 45 2.768 -14.505 -3.413 1.00 0.00 C ATOM 665 C PHE A 45 1.516 -13.617 -3.342 1.00 0.00 C ATOM 666 O PHE A 45 0.558 -13.817 -4.077 1.00 0.00 O ATOM 667 CB PHE A 45 2.703 -15.616 -2.347 1.00 0.00 C ATOM 668 CG PHE A 45 1.568 -16.598 -2.477 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.664 -17.650 -3.372 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.419 -16.493 -1.687 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.652 -18.579 -3.487 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.596 -17.423 -1.807 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.478 -18.465 -2.706 1.00 0.00 C ATOM 0 H PHE A 45 4.415 -13.908 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 45 2.804 -14.950 -4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.641 -16.171 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.638 -15.146 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.545 -17.744 -3.989 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.324 -15.682 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.744 -19.395 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.483 -17.335 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.272 -19.191 -2.797 1.00 0.00 H new ATOM 683 N ILE A 46 1.541 -12.630 -2.463 1.00 0.00 N ATOM 684 CA ILE A 46 0.397 -11.741 -2.275 1.00 0.00 C ATOM 685 C ILE A 46 0.508 -10.515 -3.226 1.00 0.00 C ATOM 686 O ILE A 46 -0.402 -9.682 -3.312 1.00 0.00 O ATOM 687 CB ILE A 46 0.302 -11.272 -0.770 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.035 -10.598 -0.456 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.442 -10.343 -0.404 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.213 -11.524 -0.558 1.00 0.00 C ATOM 0 H ILE A 46 2.340 -12.420 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.514 -12.288 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 46 0.376 -12.176 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.996 -10.183 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.180 -9.762 -1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.344 -10.040 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.392 -10.859 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.411 -9.460 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.126 -10.978 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.278 -11.920 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.091 -12.347 0.146 1.00 0.00 H new ATOM 702 N ALA A 47 1.618 -10.441 -3.952 1.00 0.00 N ATOM 703 CA ALA A 47 1.887 -9.322 -4.859 1.00 0.00 C ATOM 704 C ALA A 47 0.830 -9.162 -5.983 1.00 0.00 C ATOM 705 O ALA A 47 0.277 -8.070 -6.135 1.00 0.00 O ATOM 706 CB ALA A 47 3.310 -9.371 -5.418 1.00 0.00 C ATOM 0 H ALA A 47 2.354 -11.147 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 47 1.802 -8.423 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.468 -8.524 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.025 -9.324 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.452 -10.300 -5.970 1.00 0.00 H new ATOM 712 N PRO A 48 0.494 -10.239 -6.780 1.00 0.00 N ATOM 713 CA PRO A 48 -0.493 -10.113 -7.860 1.00 0.00 C ATOM 714 C PRO A 48 -1.887 -9.824 -7.310 1.00 0.00 C ATOM 715 O PRO A 48 -2.725 -9.222 -7.987 1.00 0.00 O ATOM 716 CB PRO A 48 -0.468 -11.480 -8.562 1.00 0.00 C ATOM 717 CG PRO A 48 0.775 -12.150 -8.079 1.00 0.00 C ATOM 718 CD PRO A 48 1.023 -11.620 -6.702 1.00 0.00 C ATOM 0 HA PRO A 48 -0.257 -9.287 -8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.353 -12.066 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.457 -11.365 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.653 -13.233 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.616 -11.933 -8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.507 -12.208 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.083 -11.633 -6.449 1.00 0.00 H new ATOM 726 N PHE A 49 -2.102 -10.235 -6.075 1.00 0.00 N ATOM 727 CA PHE A 49 -3.358 -10.037 -5.373 1.00 0.00 C ATOM 728 C PHE A 49 -3.501 -8.550 -5.022 1.00 0.00 C ATOM 729 O PHE A 49 -4.558 -7.953 -5.192 1.00 0.00 O ATOM 730 CB PHE A 49 -3.353 -10.894 -4.095 1.00 0.00 C ATOM 731 CG PHE A 49 -4.678 -11.031 -3.395 1.00 0.00 C ATOM 732 CD1 PHE A 49 -5.099 -10.109 -2.443 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.493 -12.113 -3.677 1.00 0.00 C ATOM 734 CE1 PHE A 49 -6.312 -10.271 -1.795 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.698 -12.276 -3.041 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.107 -11.360 -2.102 1.00 0.00 C ATOM 0 H PHE A 49 -1.398 -10.724 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.199 -10.336 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.993 -11.891 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.636 -10.465 -3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.475 -9.260 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.176 -12.841 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.635 -9.553 -1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.324 -13.123 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.055 -11.491 -1.601 1.00 0.00 H new ATOM 746 N PHE A 50 -2.415 -7.961 -4.555 1.00 0.00 N ATOM 747 CA PHE A 50 -2.373 -6.535 -4.222 1.00 0.00 C ATOM 748 C PHE A 50 -2.447 -5.714 -5.509 1.00 0.00 C ATOM 749 O PHE A 50 -3.036 -4.636 -5.544 1.00 0.00 O ATOM 750 CB PHE A 50 -1.089 -6.228 -3.424 1.00 0.00 C ATOM 751 CG PHE A 50 -0.957 -4.809 -2.930 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.622 -4.399 -1.787 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.155 -3.895 -3.594 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.491 -3.111 -1.315 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.025 -2.601 -3.126 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.694 -2.209 -1.986 1.00 0.00 C ATOM 0 H PHE A 50 -1.535 -8.450 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.226 -6.267 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.046 -6.899 -2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.228 -6.458 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.252 -5.098 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.374 -4.197 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.013 -2.808 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.601 -1.897 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.594 -1.198 -1.620 1.00 0.00 H new ATOM 766 N ALA A 51 -1.866 -6.246 -6.566 1.00 0.00 N ATOM 767 CA ALA A 51 -1.943 -5.621 -7.874 1.00 0.00 C ATOM 768 C ALA A 51 -3.375 -5.702 -8.411 1.00 0.00 C ATOM 769 O ALA A 51 -3.813 -4.847 -9.169 1.00 0.00 O ATOM 770 CB ALA A 51 -0.969 -6.276 -8.840 1.00 0.00 C ATOM 0 H ALA A 51 -1.332 -7.115 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.666 -4.571 -7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.043 -5.793 -9.814 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.047 -6.172 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.212 -7.334 -8.940 1.00 0.00 H new ATOM 776 N ASP A 52 -4.101 -6.732 -7.990 1.00 0.00 N ATOM 777 CA ASP A 52 -5.509 -6.921 -8.378 1.00 0.00 C ATOM 778 C ASP A 52 -6.338 -5.893 -7.670 1.00 0.00 C ATOM 779 O ASP A 52 -7.273 -5.323 -8.218 1.00 0.00 O ATOM 780 CB ASP A 52 -5.987 -8.294 -7.973 1.00 0.00 C ATOM 781 CG ASP A 52 -7.365 -8.624 -8.513 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.461 -9.049 -9.691 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.355 -8.512 -7.771 1.00 0.00 O ATOM 0 H ASP A 52 -3.740 -7.460 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.602 -6.818 -9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.276 -9.040 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.003 -8.361 -6.885 1.00 0.00 H new ATOM 788 N LEU A 53 -5.973 -5.662 -6.447 1.00 0.00 N ATOM 789 CA LEU A 53 -6.550 -4.637 -5.645 1.00 0.00 C ATOM 790 C LEU A 53 -6.340 -3.279 -6.305 1.00 0.00 C ATOM 791 O LEU A 53 -7.275 -2.476 -6.406 1.00 0.00 O ATOM 792 CB LEU A 53 -5.916 -4.676 -4.267 1.00 0.00 C ATOM 793 CG LEU A 53 -6.169 -5.910 -3.426 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.512 -5.766 -2.067 1.00 0.00 C ATOM 795 CD2 LEU A 53 -7.652 -6.169 -3.277 1.00 0.00 C ATOM 0 H LEU A 53 -5.247 -6.197 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.623 -4.799 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.838 -4.564 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.267 -3.808 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.728 -6.767 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.703 -6.661 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.437 -5.637 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.923 -4.896 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.806 -7.060 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.124 -5.314 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.096 -6.320 -4.261 1.00 0.00 H new ATOM 807 N ALA A 54 -5.127 -3.052 -6.774 1.00 0.00 N ATOM 808 CA ALA A 54 -4.769 -1.842 -7.494 1.00 0.00 C ATOM 809 C ALA A 54 -5.538 -1.750 -8.813 1.00 0.00 C ATOM 810 O ALA A 54 -5.810 -0.683 -9.302 1.00 0.00 O ATOM 811 CB ALA A 54 -3.272 -1.795 -7.744 1.00 0.00 C ATOM 0 H ALA A 54 -4.354 -3.709 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.043 -0.984 -6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.022 -0.882 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.743 -1.809 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.975 -2.660 -8.337 1.00 0.00 H new ATOM 817 N LYS A 55 -5.827 -2.891 -9.384 1.00 0.00 N ATOM 818 CA LYS A 55 -6.592 -3.025 -10.628 1.00 0.00 C ATOM 819 C LYS A 55 -8.051 -2.591 -10.426 1.00 0.00 C ATOM 820 O LYS A 55 -8.651 -1.916 -11.274 1.00 0.00 O ATOM 821 CB LYS A 55 -6.565 -4.500 -11.014 1.00 0.00 C ATOM 822 CG LYS A 55 -7.334 -4.903 -12.257 1.00 0.00 C ATOM 823 CD LYS A 55 -7.505 -6.425 -12.291 1.00 0.00 C ATOM 824 CE LYS A 55 -6.172 -7.168 -12.282 1.00 0.00 C ATOM 825 NZ LYS A 55 -6.358 -8.629 -12.122 1.00 0.00 N ATOM 0 H LYS A 55 -5.534 -3.788 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.155 -2.394 -11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.525 -4.795 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.953 -5.077 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.310 -4.418 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.804 -4.567 -13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.097 -6.739 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.066 -6.704 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.639 -6.969 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.550 -6.790 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.433 -9.102 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.814 -8.823 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.958 -8.989 -12.891 1.00 0.00 H new ATOM 839 N LYS A 56 -8.594 -2.965 -9.299 1.00 0.00 N ATOM 840 CA LYS A 56 -10.000 -2.755 -8.999 1.00 0.00 C ATOM 841 C LYS A 56 -10.251 -1.385 -8.325 1.00 0.00 C ATOM 842 O LYS A 56 -11.392 -1.017 -8.058 1.00 0.00 O ATOM 843 CB LYS A 56 -10.516 -3.915 -8.135 1.00 0.00 C ATOM 844 CG LYS A 56 -12.014 -3.921 -7.921 1.00 0.00 C ATOM 845 CD LYS A 56 -12.447 -5.065 -7.040 1.00 0.00 C ATOM 846 CE LYS A 56 -13.957 -5.075 -6.843 1.00 0.00 C ATOM 847 NZ LYS A 56 -14.453 -3.813 -6.254 1.00 0.00 N ATOM 0 H LYS A 56 -8.076 -3.428 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.556 -2.738 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.225 -4.856 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.023 -3.875 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.321 -2.978 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.519 -3.992 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.130 -6.008 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.953 -4.987 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.446 -5.242 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.232 -5.908 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.429 -3.946 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.847 -3.542 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.432 -3.062 -6.974 1.00 0.00 H new ATOM 861 N LEU A 57 -9.168 -0.653 -8.065 1.00 0.00 N ATOM 862 CA LEU A 57 -9.185 0.628 -7.328 1.00 0.00 C ATOM 863 C LEU A 57 -10.353 1.557 -7.740 1.00 0.00 C ATOM 864 O LEU A 57 -10.622 1.744 -8.932 1.00 0.00 O ATOM 865 CB LEU A 57 -7.845 1.407 -7.527 1.00 0.00 C ATOM 866 CG LEU A 57 -7.633 2.218 -8.854 1.00 0.00 C ATOM 867 CD1 LEU A 57 -6.275 2.895 -8.858 1.00 0.00 C ATOM 868 CD2 LEU A 57 -7.797 1.370 -10.110 1.00 0.00 C ATOM 0 H LEU A 57 -8.233 -0.931 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.319 0.356 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.741 2.103 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.030 0.688 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.419 2.973 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.149 3.452 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.207 3.580 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.492 2.141 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.638 1.991 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.068 0.560 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.803 0.952 -10.138 1.00 0.00 H new ATOM 880 N PRO A 58 -11.096 2.093 -6.769 1.00 0.00 N ATOM 881 CA PRO A 58 -12.075 3.136 -7.049 1.00 0.00 C ATOM 882 C PRO A 58 -11.311 4.405 -7.411 1.00 0.00 C ATOM 883 O PRO A 58 -11.478 4.976 -8.486 1.00 0.00 O ATOM 884 CB PRO A 58 -12.815 3.324 -5.714 1.00 0.00 C ATOM 885 CG PRO A 58 -12.416 2.165 -4.860 1.00 0.00 C ATOM 886 CD PRO A 58 -11.083 1.694 -5.359 1.00 0.00 C ATOM 0 HA PRO A 58 -12.760 2.899 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.540 4.268 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.894 3.345 -5.865 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.354 2.461 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.156 1.367 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.261 2.161 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.968 0.616 -5.246 1.00 0.00 H new ATOM 894 N ASN A 59 -10.458 4.801 -6.485 1.00 0.00 N ATOM 895 CA ASN A 59 -9.515 5.887 -6.631 1.00 0.00 C ATOM 896 C ASN A 59 -8.592 5.831 -5.430 1.00 0.00 C ATOM 897 O ASN A 59 -8.746 6.572 -4.461 1.00 0.00 O ATOM 898 CB ASN A 59 -10.188 7.254 -6.718 1.00 0.00 C ATOM 899 CG ASN A 59 -9.197 8.381 -6.991 1.00 0.00 C ATOM 900 OD1 ASN A 59 -8.183 8.181 -7.669 1.00 0.00 O ATOM 901 ND2 ASN A 59 -9.475 9.549 -6.469 1.00 0.00 N ATOM 0 H ASN A 59 -10.404 4.352 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.972 5.766 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.938 7.236 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.714 7.456 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.844 10.337 -6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.323 9.671 -5.916 1.00 0.00 H new ATOM 908 N VAL A 60 -7.729 4.854 -5.445 1.00 0.00 N ATOM 909 CA VAL A 60 -6.823 4.605 -4.348 1.00 0.00 C ATOM 910 C VAL A 60 -5.420 4.435 -4.879 1.00 0.00 C ATOM 911 O VAL A 60 -5.215 3.752 -5.873 1.00 0.00 O ATOM 912 CB VAL A 60 -7.238 3.330 -3.538 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.247 3.042 -2.424 1.00 0.00 C ATOM 914 CG2 VAL A 60 -8.640 3.483 -2.957 1.00 0.00 C ATOM 0 H VAL A 60 -7.630 4.201 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.865 5.461 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.236 2.489 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.561 2.152 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.258 2.876 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.210 3.891 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.903 2.584 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.665 4.344 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.355 3.630 -3.766 1.00 0.00 H new ATOM 924 N LEU A 61 -4.472 5.066 -4.243 1.00 0.00 N ATOM 925 CA LEU A 61 -3.107 4.943 -4.619 1.00 0.00 C ATOM 926 C LEU A 61 -2.486 3.771 -3.873 1.00 0.00 C ATOM 927 O LEU A 61 -2.435 3.772 -2.649 1.00 0.00 O ATOM 928 CB LEU A 61 -2.367 6.229 -4.262 1.00 0.00 C ATOM 929 CG LEU A 61 -2.811 7.508 -4.979 1.00 0.00 C ATOM 930 CD1 LEU A 61 -2.015 8.700 -4.474 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.646 7.365 -6.485 1.00 0.00 C ATOM 0 H LEU A 61 -4.634 5.681 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.034 4.770 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.466 6.390 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.307 6.077 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.866 7.673 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.341 9.602 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.177 8.819 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.954 8.536 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.967 8.284 -6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.599 7.175 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.254 6.533 -6.840 1.00 0.00 H new ATOM 943 N PHE A 62 -2.062 2.763 -4.596 1.00 0.00 N ATOM 944 CA PHE A 62 -1.402 1.629 -3.983 1.00 0.00 C ATOM 945 C PHE A 62 0.079 1.737 -4.190 1.00 0.00 C ATOM 946 O PHE A 62 0.550 2.073 -5.287 1.00 0.00 O ATOM 947 CB PHE A 62 -1.895 0.307 -4.538 1.00 0.00 C ATOM 948 CG PHE A 62 -3.358 0.031 -4.310 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.324 0.598 -5.117 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.763 -0.805 -3.281 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.662 0.340 -4.906 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.100 -1.068 -3.068 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.050 -0.494 -3.882 1.00 0.00 C ATOM 0 H PHE A 62 -2.161 2.702 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.639 1.648 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.698 0.283 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.314 -0.499 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.028 1.252 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.022 -1.256 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.406 0.793 -5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.401 -1.723 -2.264 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.098 -0.698 -3.718 1.00 0.00 H new ATOM 963 N LEU A 63 0.802 1.478 -3.163 1.00 0.00 N ATOM 964 CA LEU A 63 2.232 1.593 -3.186 1.00 0.00 C ATOM 965 C LEU A 63 2.929 0.342 -2.730 1.00 0.00 C ATOM 966 O LEU A 63 2.425 -0.420 -1.900 1.00 0.00 O ATOM 967 CB LEU A 63 2.748 2.780 -2.358 1.00 0.00 C ATOM 968 CG LEU A 63 2.588 4.205 -2.925 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.141 4.638 -3.041 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.366 5.183 -2.082 1.00 0.00 C ATOM 0 H LEU A 63 0.422 1.175 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 63 2.473 1.764 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.246 2.751 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.809 2.616 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 63 2.988 4.193 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.095 5.649 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.609 3.957 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.676 4.620 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.248 6.188 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.992 5.159 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.421 4.910 -2.089 1.00 0.00 H new ATOM 982 N LYS A 64 4.090 0.160 -3.275 1.00 0.00 N ATOM 983 CA LYS A 64 4.967 -0.919 -2.958 1.00 0.00 C ATOM 984 C LYS A 64 6.247 -0.287 -2.438 1.00 0.00 C ATOM 985 O LYS A 64 6.907 0.450 -3.162 1.00 0.00 O ATOM 986 CB LYS A 64 5.261 -1.722 -4.244 1.00 0.00 C ATOM 987 CG LYS A 64 6.171 -2.958 -4.117 1.00 0.00 C ATOM 988 CD LYS A 64 5.465 -4.222 -3.583 1.00 0.00 C ATOM 989 CE LYS A 64 4.938 -4.096 -2.168 1.00 0.00 C ATOM 990 NZ LYS A 64 4.365 -5.368 -1.707 1.00 0.00 N ATOM 0 H LYS A 64 4.468 0.788 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 64 4.534 -1.595 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.309 -2.047 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.713 -1.044 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.597 -3.181 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.002 -2.715 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.635 -4.467 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.163 -5.058 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.745 -3.793 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.179 -3.314 -2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.182 -5.316 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.473 -5.549 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.034 -6.140 -1.900 1.00 0.00 H new ATOM 1004 N VAL A 65 6.568 -0.515 -1.202 1.00 0.00 N ATOM 1005 CA VAL A 65 7.758 0.071 -0.623 1.00 0.00 C ATOM 1006 C VAL A 65 8.694 -1.017 -0.169 1.00 0.00 C ATOM 1007 O VAL A 65 8.292 -1.904 0.590 1.00 0.00 O ATOM 1008 CB VAL A 65 7.414 1.009 0.570 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.674 1.595 1.191 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.497 2.128 0.113 1.00 0.00 C ATOM 0 H VAL A 65 6.028 -1.102 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 65 8.242 0.674 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 65 6.904 0.413 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.401 2.246 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.309 0.788 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.215 2.172 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.265 2.776 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.992 2.709 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.574 1.704 -0.283 1.00 0.00 H new ATOM 1020 N ASP A 66 9.926 -0.969 -0.645 1.00 0.00 N ATOM 1021 CA ASP A 66 10.911 -1.960 -0.264 1.00 0.00 C ATOM 1022 C ASP A 66 11.544 -1.565 1.047 1.00 0.00 C ATOM 1023 O ASP A 66 12.282 -0.581 1.126 1.00 0.00 O ATOM 1024 CB ASP A 66 11.973 -2.146 -1.330 1.00 0.00 C ATOM 1025 CG ASP A 66 12.911 -3.312 -1.024 1.00 0.00 C ATOM 1026 OD1 ASP A 66 12.592 -4.465 -1.418 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.966 -3.104 -0.410 1.00 0.00 O ATOM 0 H ASP A 66 10.265 -0.257 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 66 10.400 -2.916 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.491 -2.315 -2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.556 -1.229 -1.422 1.00 0.00 H new ATOM 1032 N THR A 67 11.233 -2.317 2.068 1.00 0.00 N ATOM 1033 CA THR A 67 11.708 -2.050 3.422 1.00 0.00 C ATOM 1034 C THR A 67 13.204 -2.364 3.559 1.00 0.00 C ATOM 1035 O THR A 67 13.875 -1.865 4.463 1.00 0.00 O ATOM 1036 CB THR A 67 10.870 -2.859 4.481 1.00 0.00 C ATOM 1037 OG1 THR A 67 11.299 -2.576 5.814 1.00 0.00 O ATOM 1038 CG2 THR A 67 10.979 -4.361 4.241 1.00 0.00 C ATOM 0 H THR A 67 10.638 -3.142 1.995 1.00 0.00 H new ATOM 0 HA THR A 67 11.570 -0.987 3.617 1.00 0.00 H new ATOM 0 HB THR A 67 9.833 -2.546 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.759 -3.092 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.390 -4.893 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.603 -4.599 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.022 -4.667 4.317 1.00 0.00 H new ATOM 1046 N ASP A 68 13.724 -3.158 2.651 1.00 0.00 N ATOM 1047 CA ASP A 68 15.118 -3.547 2.707 1.00 0.00 C ATOM 1048 C ASP A 68 15.960 -2.346 2.330 1.00 0.00 C ATOM 1049 O ASP A 68 16.992 -2.066 2.945 1.00 0.00 O ATOM 1050 CB ASP A 68 15.364 -4.706 1.753 1.00 0.00 C ATOM 1051 CG ASP A 68 16.745 -5.308 1.847 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.675 -4.865 1.119 1.00 0.00 O ATOM 1053 OD2 ASP A 68 16.913 -6.263 2.616 1.00 0.00 O ATOM 0 H ASP A 68 13.205 -3.548 1.865 1.00 0.00 H new ATOM 0 HA ASP A 68 15.387 -3.876 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.627 -5.485 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.200 -4.362 0.732 1.00 0.00 H new ATOM 1058 N GLU A 69 15.509 -1.645 1.315 1.00 0.00 N ATOM 1059 CA GLU A 69 16.096 -0.422 0.893 1.00 0.00 C ATOM 1060 C GLU A 69 15.756 0.713 1.847 1.00 0.00 C ATOM 1061 O GLU A 69 16.644 1.283 2.492 1.00 0.00 O ATOM 1062 CB GLU A 69 15.625 -0.084 -0.513 1.00 0.00 C ATOM 1063 CG GLU A 69 16.189 -0.984 -1.589 1.00 0.00 C ATOM 1064 CD GLU A 69 15.706 -0.643 -2.975 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.219 0.317 -3.580 1.00 0.00 O ATOM 1066 OE2 GLU A 69 14.819 -1.359 -3.502 1.00 0.00 O ATOM 0 H GLU A 69 14.704 -1.928 0.756 1.00 0.00 H new ATOM 0 HA GLU A 69 17.179 -0.545 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.537 -0.139 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.898 0.947 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.277 -0.924 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.922 -2.017 -1.364 1.00 0.00 H new ATOM 1073 N LEU A 70 14.479 1.016 1.972 1.00 0.00 N ATOM 1074 CA LEU A 70 14.043 2.112 2.748 1.00 0.00 C ATOM 1075 C LEU A 70 13.854 1.749 4.211 1.00 0.00 C ATOM 1076 O LEU A 70 12.729 1.672 4.720 1.00 0.00 O ATOM 1077 CB LEU A 70 12.785 2.697 2.145 1.00 0.00 C ATOM 1078 CG LEU A 70 12.936 3.337 0.759 1.00 0.00 C ATOM 1079 CD1 LEU A 70 11.598 3.825 0.244 1.00 0.00 C ATOM 1080 CD2 LEU A 70 13.930 4.485 0.808 1.00 0.00 C ATOM 0 H LEU A 70 13.726 0.492 1.527 1.00 0.00 H new ATOM 0 HA LEU A 70 14.825 2.871 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.037 1.907 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.394 3.450 2.830 1.00 0.00 H new ATOM 0 HG LEU A 70 13.313 2.577 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.729 4.275 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.908 2.984 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.192 4.567 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.024 4.927 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.578 5.241 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.901 4.112 1.133 1.00 0.00 H new ATOM 1092 N LYS A 71 14.967 1.515 4.874 1.00 0.00 N ATOM 1093 CA LYS A 71 14.979 1.144 6.278 1.00 0.00 C ATOM 1094 C LYS A 71 14.529 2.308 7.150 1.00 0.00 C ATOM 1095 O LYS A 71 13.830 2.122 8.147 1.00 0.00 O ATOM 1096 CB LYS A 71 16.378 0.683 6.687 1.00 0.00 C ATOM 1097 CG LYS A 71 16.878 -0.530 5.926 1.00 0.00 C ATOM 1098 CD LYS A 71 18.284 -0.911 6.355 1.00 0.00 C ATOM 1099 CE LYS A 71 18.769 -2.149 5.616 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.141 -2.523 6.007 1.00 0.00 N ATOM 0 H LYS A 71 15.895 1.576 4.454 1.00 0.00 H new ATOM 0 HA LYS A 71 14.279 0.321 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.078 1.505 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.376 0.455 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 71 16.204 -1.370 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.866 -0.321 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.963 -0.080 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.302 -1.095 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.094 -2.981 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.735 -1.967 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.433 -3.371 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.790 -1.740 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.169 -2.722 7.027 1.00 0.00 H new ATOM 1114 N SER A 72 14.917 3.506 6.765 1.00 0.00 N ATOM 1115 CA SER A 72 14.554 4.703 7.494 1.00 0.00 C ATOM 1116 C SER A 72 13.049 4.943 7.431 1.00 0.00 C ATOM 1117 O SER A 72 12.433 5.373 8.417 1.00 0.00 O ATOM 1118 CB SER A 72 15.324 5.885 6.943 1.00 0.00 C ATOM 1119 OG SER A 72 16.717 5.616 6.977 1.00 0.00 O ATOM 0 H SER A 72 15.492 3.677 5.940 1.00 0.00 H new ATOM 0 HA SER A 72 14.817 4.575 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.010 6.089 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.103 6.778 7.528 1.00 0.00 H new ATOM 0 HG SER A 72 17.207 6.384 6.617 1.00 0.00 H new ATOM 1125 N VAL A 73 12.457 4.633 6.286 1.00 0.00 N ATOM 1126 CA VAL A 73 11.025 4.766 6.112 1.00 0.00 C ATOM 1127 C VAL A 73 10.326 3.707 6.945 1.00 0.00 C ATOM 1128 O VAL A 73 9.368 4.000 7.654 1.00 0.00 O ATOM 1129 CB VAL A 73 10.611 4.650 4.618 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.099 4.758 4.456 1.00 0.00 C ATOM 1131 CG2 VAL A 73 11.308 5.726 3.792 1.00 0.00 C ATOM 0 H VAL A 73 12.952 4.287 5.464 1.00 0.00 H new ATOM 0 HA VAL A 73 10.724 5.759 6.448 1.00 0.00 H new ATOM 0 HB VAL A 73 10.920 3.669 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.839 4.673 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.615 3.957 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.760 5.721 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.009 5.634 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.025 6.711 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.388 5.604 3.873 1.00 0.00 H new ATOM 1141 N ALA A 74 10.843 2.487 6.886 1.00 0.00 N ATOM 1142 CA ALA A 74 10.312 1.390 7.671 1.00 0.00 C ATOM 1143 C ALA A 74 10.330 1.741 9.152 1.00 0.00 C ATOM 1144 O ALA A 74 9.330 1.601 9.832 1.00 0.00 O ATOM 1145 CB ALA A 74 11.114 0.130 7.424 1.00 0.00 C ATOM 0 H ALA A 74 11.636 2.235 6.296 1.00 0.00 H new ATOM 0 HA ALA A 74 9.280 1.214 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.704 -0.685 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.063 -0.132 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.153 0.299 7.707 1.00 0.00 H new ATOM 1151 N SER A 75 11.465 2.241 9.622 1.00 0.00 N ATOM 1152 CA SER A 75 11.635 2.616 11.017 1.00 0.00 C ATOM 1153 C SER A 75 10.639 3.708 11.441 1.00 0.00 C ATOM 1154 O SER A 75 10.049 3.637 12.527 1.00 0.00 O ATOM 1155 CB SER A 75 13.067 3.090 11.253 1.00 0.00 C ATOM 1156 OG SER A 75 14.009 2.082 10.880 1.00 0.00 O ATOM 0 H SER A 75 12.292 2.397 9.046 1.00 0.00 H new ATOM 0 HA SER A 75 11.435 1.735 11.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.253 3.997 10.678 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.200 3.346 12.304 1.00 0.00 H new ATOM 0 HG SER A 75 14.152 2.110 9.911 1.00 0.00 H new ATOM 1162 N ASP A 76 10.416 4.684 10.562 1.00 0.00 N ATOM 1163 CA ASP A 76 9.525 5.814 10.862 1.00 0.00 C ATOM 1164 C ASP A 76 8.092 5.335 11.046 1.00 0.00 C ATOM 1165 O ASP A 76 7.353 5.833 11.903 1.00 0.00 O ATOM 1166 CB ASP A 76 9.576 6.859 9.741 1.00 0.00 C ATOM 1167 CG ASP A 76 8.749 8.095 10.049 1.00 0.00 C ATOM 1168 OD1 ASP A 76 7.551 8.126 9.743 1.00 0.00 O ATOM 1169 OD2 ASP A 76 9.313 9.071 10.597 1.00 0.00 O ATOM 0 H ASP A 76 10.839 4.719 9.634 1.00 0.00 H new ATOM 0 HA ASP A 76 9.869 6.272 11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.612 7.154 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.218 6.409 8.815 1.00 0.00 H new ATOM 1174 N TRP A 77 7.719 4.350 10.266 1.00 0.00 N ATOM 1175 CA TRP A 77 6.397 3.796 10.318 1.00 0.00 C ATOM 1176 C TRP A 77 6.348 2.542 11.196 1.00 0.00 C ATOM 1177 O TRP A 77 5.344 1.839 11.218 1.00 0.00 O ATOM 1178 CB TRP A 77 5.885 3.510 8.906 1.00 0.00 C ATOM 1179 CG TRP A 77 5.742 4.750 8.049 1.00 0.00 C ATOM 1180 CD1 TRP A 77 6.729 5.390 7.362 1.00 0.00 C ATOM 1181 CD2 TRP A 77 4.538 5.485 7.784 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.224 6.474 6.702 1.00 0.00 N ATOM 1183 CE2 TRP A 77 4.882 6.555 6.939 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.207 5.346 8.178 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 3.945 7.477 6.483 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.278 6.263 7.724 1.00 0.00 C ATOM 1187 CH2 TRP A 77 2.651 7.313 6.882 1.00 0.00 C ATOM 0 H TRP A 77 8.329 3.912 9.576 1.00 0.00 H new ATOM 0 HA TRP A 77 5.738 4.532 10.777 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.567 2.816 8.415 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.918 3.012 8.973 1.00 0.00 H new ATOM 0 HD1 TRP A 77 7.764 5.084 7.342 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.763 7.119 6.125 1.00 0.00 H new ATOM 0 HE3 TRP A 77 2.908 4.536 8.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.232 8.293 5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.246 6.166 8.026 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.900 8.009 6.540 1.00 0.00 H new ATOM 1198 N ALA A 78 7.457 2.277 11.920 1.00 0.00 N ATOM 1199 CA ALA A 78 7.582 1.140 12.871 1.00 0.00 C ATOM 1200 C ALA A 78 7.405 -0.222 12.176 1.00 0.00 C ATOM 1201 O ALA A 78 7.077 -1.226 12.812 1.00 0.00 O ATOM 1202 CB ALA A 78 6.591 1.299 14.022 1.00 0.00 C ATOM 0 H ALA A 78 8.300 2.848 11.864 1.00 0.00 H new ATOM 0 HA ALA A 78 8.595 1.160 13.274 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.694 0.460 14.710 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.795 2.229 14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.575 1.322 13.627 1.00 0.00 H new ATOM 1208 N ILE A 79 7.685 -0.254 10.899 1.00 0.00 N ATOM 1209 CA ILE A 79 7.537 -1.452 10.108 1.00 0.00 C ATOM 1210 C ILE A 79 8.713 -2.367 10.338 1.00 0.00 C ATOM 1211 O ILE A 79 9.874 -1.971 10.179 1.00 0.00 O ATOM 1212 CB ILE A 79 7.420 -1.131 8.591 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.240 -0.178 8.321 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.283 -2.415 7.767 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.886 -0.701 8.767 1.00 0.00 C ATOM 0 H ILE A 79 8.024 0.553 10.374 1.00 0.00 H new ATOM 0 HA ILE A 79 6.616 -1.942 10.422 1.00 0.00 H new ATOM 0 HB ILE A 79 8.337 -0.630 8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.433 0.769 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.199 0.033 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.203 -2.162 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.160 -3.044 7.924 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.389 -2.954 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.117 0.037 8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.665 -1.631 8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.903 -0.884 9.841 1.00 0.00 H new ATOM 1227 N GLN A 80 8.412 -3.565 10.723 1.00 0.00 N ATOM 1228 CA GLN A 80 9.406 -4.558 10.984 1.00 0.00 C ATOM 1229 C GLN A 80 8.962 -5.885 10.412 1.00 0.00 C ATOM 1230 O GLN A 80 9.751 -6.608 9.789 1.00 0.00 O ATOM 1231 CB GLN A 80 9.645 -4.673 12.487 1.00 0.00 C ATOM 1232 CG GLN A 80 10.631 -5.753 12.883 1.00 0.00 C ATOM 1233 CD GLN A 80 10.843 -5.804 14.372 1.00 0.00 C ATOM 1234 OE1 GLN A 80 10.761 -4.790 15.058 1.00 0.00 O ATOM 1235 NE2 GLN A 80 11.086 -6.968 14.884 1.00 0.00 N ATOM 0 H GLN A 80 7.455 -3.887 10.867 1.00 0.00 H new ATOM 0 HA GLN A 80 10.342 -4.268 10.507 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.006 -3.714 12.860 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.693 -4.869 12.980 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.268 -6.720 12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 80 11.585 -5.573 12.387 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.147 -7.788 14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.217 -7.065 15.891 1.00 0.00 H new ATOM 1244 N ALA A 81 7.694 -6.186 10.576 1.00 0.00 N ATOM 1245 CA ALA A 81 7.159 -7.444 10.115 1.00 0.00 C ATOM 1246 C ALA A 81 6.810 -7.340 8.648 1.00 0.00 C ATOM 1247 O ALA A 81 6.382 -6.288 8.173 1.00 0.00 O ATOM 1248 CB ALA A 81 5.955 -7.847 10.938 1.00 0.00 C ATOM 0 H ALA A 81 7.013 -5.574 11.027 1.00 0.00 H new ATOM 0 HA ALA A 81 7.914 -8.220 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.567 -8.798 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.247 -7.950 11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.182 -7.083 10.851 1.00 0.00 H new ATOM 1254 N MET A 82 7.002 -8.405 7.928 1.00 0.00 N ATOM 1255 CA MET A 82 6.804 -8.386 6.508 1.00 0.00 C ATOM 1256 C MET A 82 5.786 -9.437 6.099 1.00 0.00 C ATOM 1257 O MET A 82 5.846 -10.576 6.568 1.00 0.00 O ATOM 1258 CB MET A 82 8.124 -8.690 5.824 1.00 0.00 C ATOM 1259 CG MET A 82 9.245 -7.697 6.130 1.00 0.00 C ATOM 1260 SD MET A 82 10.875 -8.292 5.610 1.00 0.00 S ATOM 1261 CE MET A 82 10.568 -8.689 3.904 1.00 0.00 C ATOM 0 H MET A 82 7.298 -9.306 8.304 1.00 0.00 H new ATOM 0 HA MET A 82 6.437 -7.403 6.214 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.450 -9.687 6.120 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.962 -8.714 4.746 1.00 0.00 H new ATOM 0 HG2 MET A 82 9.033 -6.752 5.631 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.262 -7.495 7.201 1.00 0.00 H new ATOM 0 HE1 MET A 82 11.456 -9.151 3.473 1.00 0.00 H new ATOM 0 HE2 MET A 82 9.729 -9.382 3.837 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.331 -7.778 3.355 1.00 0.00 H new ATOM 1271 N PRO A 83 4.826 -9.084 5.243 1.00 0.00 N ATOM 1272 CA PRO A 83 4.649 -7.729 4.743 1.00 0.00 C ATOM 1273 C PRO A 83 3.631 -6.955 5.607 1.00 0.00 C ATOM 1274 O PRO A 83 2.806 -7.566 6.298 1.00 0.00 O ATOM 1275 CB PRO A 83 4.073 -7.974 3.352 1.00 0.00 C ATOM 1276 CG PRO A 83 3.251 -9.217 3.495 1.00 0.00 C ATOM 1277 CD PRO A 83 3.841 -10.004 4.649 1.00 0.00 C ATOM 0 HA PRO A 83 5.565 -7.138 4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.464 -7.132 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.864 -8.105 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.207 -8.970 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.274 -9.803 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.075 -10.289 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.312 -10.925 4.304 1.00 0.00 H new ATOM 1285 N THR A 84 3.709 -5.659 5.626 1.00 0.00 N ATOM 1286 CA THR A 84 2.720 -4.909 6.343 1.00 0.00 C ATOM 1287 C THR A 84 1.939 -4.024 5.389 1.00 0.00 C ATOM 1288 O THR A 84 2.523 -3.195 4.686 1.00 0.00 O ATOM 1289 CB THR A 84 3.341 -4.055 7.443 1.00 0.00 C ATOM 1290 OG1 THR A 84 4.091 -4.884 8.348 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.274 -3.295 8.230 1.00 0.00 C ATOM 0 H THR A 84 4.431 -5.106 5.164 1.00 0.00 H new ATOM 0 HA THR A 84 2.047 -5.625 6.814 1.00 0.00 H new ATOM 0 HB THR A 84 4.002 -3.332 6.965 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.890 -5.225 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.751 -2.697 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.721 -2.641 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.587 -4.005 8.691 1.00 0.00 H new ATOM 1299 N PHE A 85 0.629 -4.163 5.416 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.239 -3.408 4.582 1.00 0.00 C ATOM 1301 C PHE A 85 -0.864 -2.346 5.431 1.00 0.00 C ATOM 1302 O PHE A 85 -1.526 -2.649 6.421 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.369 -4.308 4.074 1.00 0.00 C ATOM 1304 CG PHE A 85 -0.957 -5.482 3.229 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.572 -6.678 3.819 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.968 -5.394 1.849 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.205 -7.755 3.046 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.601 -6.473 1.070 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.218 -7.652 1.671 1.00 0.00 C ATOM 0 H PHE A 85 0.146 -4.817 6.032 1.00 0.00 H new ATOM 0 HA PHE A 85 0.317 -2.990 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.921 -4.684 4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.060 -3.696 3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.560 -6.764 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.267 -4.471 1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.093 -8.681 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.614 -6.393 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.073 -8.497 1.064 1.00 0.00 H new ATOM 1319 N MET A 86 -0.667 -1.127 5.077 1.00 0.00 N ATOM 1320 CA MET A 86 -1.237 -0.055 5.825 1.00 0.00 C ATOM 1321 C MET A 86 -2.241 0.680 4.992 1.00 0.00 C ATOM 1322 O MET A 86 -1.935 1.158 3.891 1.00 0.00 O ATOM 1323 CB MET A 86 -0.170 0.894 6.350 1.00 0.00 C ATOM 1324 CG MET A 86 -0.725 2.018 7.218 1.00 0.00 C ATOM 1325 SD MET A 86 0.553 3.113 7.855 1.00 0.00 S ATOM 1326 CE MET A 86 1.554 1.970 8.811 1.00 0.00 C ATOM 0 H MET A 86 -0.113 -0.842 4.270 1.00 0.00 H new ATOM 0 HA MET A 86 -1.744 -0.482 6.691 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.557 0.325 6.929 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.365 1.329 5.506 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.438 2.601 6.635 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.275 1.586 8.054 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.151 2.526 9.534 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.905 1.271 9.338 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.215 1.418 8.143 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.424 0.746 5.497 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.488 1.403 4.879 1.00 0.00 C ATOM 1338 C PHE A 87 -4.691 2.734 5.551 1.00 0.00 C ATOM 1339 O PHE A 87 -5.011 2.810 6.754 1.00 0.00 O ATOM 1340 CB PHE A 87 -5.735 0.567 5.039 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.709 -0.754 4.334 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.135 -1.870 4.926 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.270 -0.881 3.083 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.121 -3.081 4.270 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.258 -2.086 2.426 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.684 -3.187 3.018 1.00 0.00 C ATOM 0 H PHE A 87 -3.671 0.321 6.390 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.277 1.552 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.902 0.391 6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.587 1.140 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.696 -1.788 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.725 -0.022 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.670 -3.945 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.699 -2.170 1.444 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.675 -4.135 2.501 1.00 0.00 H new ATOM 1356 N LEU A 88 -4.514 3.765 4.823 1.00 0.00 N ATOM 1357 CA LEU A 88 -4.697 5.057 5.350 1.00 0.00 C ATOM 1358 C LEU A 88 -5.503 5.884 4.374 1.00 0.00 C ATOM 1359 O LEU A 88 -5.559 5.574 3.196 1.00 0.00 O ATOM 1360 CB LEU A 88 -3.348 5.741 5.759 1.00 0.00 C ATOM 1361 CG LEU A 88 -2.248 5.961 4.697 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -1.163 6.857 5.273 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -1.608 4.641 4.275 1.00 0.00 C ATOM 0 H LEU A 88 -4.237 3.737 3.842 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.259 4.977 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.592 6.716 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.912 5.146 6.561 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.712 6.422 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.386 7.014 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.595 7.817 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.729 6.383 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.839 4.832 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.158 4.161 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.370 3.986 3.852 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.103 6.923 4.832 1.00 0.00 N ATOM 1376 CA LYS A 89 -6.964 7.691 3.989 1.00 0.00 C ATOM 1377 C LYS A 89 -6.638 9.130 4.125 1.00 0.00 C ATOM 1378 O LYS A 89 -6.537 9.653 5.235 1.00 0.00 O ATOM 1379 CB LYS A 89 -8.423 7.416 4.333 1.00 0.00 C ATOM 1380 CG LYS A 89 -9.443 8.142 3.474 1.00 0.00 C ATOM 1381 CD LYS A 89 -10.853 7.735 3.856 1.00 0.00 C ATOM 1382 CE LYS A 89 -11.892 8.451 3.016 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.264 8.059 3.391 1.00 0.00 N ATOM 0 H LYS A 89 -6.017 7.267 5.788 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.810 7.401 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.602 6.344 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.591 7.689 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.325 9.219 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.266 7.916 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.966 6.658 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.022 7.956 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.776 9.528 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.725 8.227 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.946 8.570 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.382 7.035 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.432 8.296 4.390 1.00 0.00 H new ATOM 1397 N GLU A 90 -6.403 9.751 2.981 1.00 0.00 N ATOM 1398 CA GLU A 90 -6.018 11.154 2.860 1.00 0.00 C ATOM 1399 C GLU A 90 -4.627 11.392 3.493 1.00 0.00 C ATOM 1400 O GLU A 90 -4.235 12.532 3.755 1.00 0.00 O ATOM 1401 CB GLU A 90 -7.034 12.089 3.517 1.00 0.00 C ATOM 1402 CG GLU A 90 -8.440 12.067 2.958 1.00 0.00 C ATOM 1403 CD GLU A 90 -9.373 12.945 3.774 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -9.509 14.145 3.475 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -9.966 12.454 4.751 1.00 0.00 O ATOM 0 H GLU A 90 -6.476 9.280 2.079 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.985 11.380 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.086 11.843 4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.655 13.108 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.427 12.409 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.815 11.043 2.950 1.00 0.00 H new ATOM 1412 N GLY A 91 -3.896 10.317 3.710 1.00 0.00 N ATOM 1413 CA GLY A 91 -2.604 10.401 4.372 1.00 0.00 C ATOM 1414 C GLY A 91 -2.714 10.200 5.886 1.00 0.00 C ATOM 1415 O GLY A 91 -1.710 10.196 6.594 1.00 0.00 O ATOM 0 H GLY A 91 -4.172 9.373 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.935 9.648 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.156 11.374 4.168 1.00 0.00 H new ATOM 1419 N LYS A 92 -3.937 10.031 6.368 1.00 0.00 N ATOM 1420 CA LYS A 92 -4.207 9.782 7.788 1.00 0.00 C ATOM 1421 C LYS A 92 -4.426 8.280 7.988 1.00 0.00 C ATOM 1422 O LYS A 92 -5.227 7.675 7.275 1.00 0.00 O ATOM 1423 CB LYS A 92 -5.472 10.544 8.199 1.00 0.00 C ATOM 1424 CG LYS A 92 -5.361 12.064 8.080 1.00 0.00 C ATOM 1425 CD LYS A 92 -6.713 12.759 8.286 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.676 12.433 7.145 1.00 0.00 C ATOM 1427 NZ LYS A 92 -9.008 13.061 7.299 1.00 0.00 N ATOM 0 H LYS A 92 -4.776 10.062 5.789 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.368 10.118 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.303 10.203 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.716 10.289 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.648 12.434 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.967 12.322 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.147 12.443 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.566 13.837 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.235 12.761 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.798 11.352 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.558 12.928 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.510 12.619 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.893 14.078 7.484 1.00 0.00 H new ATOM 1441 N ILE A 93 -3.751 7.697 8.964 1.00 0.00 N ATOM 1442 CA ILE A 93 -3.786 6.239 9.190 1.00 0.00 C ATOM 1443 C ILE A 93 -5.151 5.758 9.693 1.00 0.00 C ATOM 1444 O ILE A 93 -5.713 6.327 10.637 1.00 0.00 O ATOM 1445 CB ILE A 93 -2.670 5.781 10.179 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -1.283 6.176 9.645 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -2.736 4.266 10.417 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -0.136 5.790 10.562 1.00 0.00 C ATOM 0 H ILE A 93 -3.163 8.206 9.625 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.604 5.782 8.217 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.835 6.284 11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.132 5.706 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.260 7.254 9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.948 3.972 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.706 4.006 10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.601 3.743 9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.808 6.102 10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.261 6.281 11.527 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.131 4.709 10.703 1.00 0.00 H new ATOM 1460 N LEU A 94 -5.681 4.723 9.051 1.00 0.00 N ATOM 1461 CA LEU A 94 -6.927 4.119 9.453 1.00 0.00 C ATOM 1462 C LEU A 94 -6.682 2.781 10.117 1.00 0.00 C ATOM 1463 O LEU A 94 -6.930 2.613 11.315 1.00 0.00 O ATOM 1464 CB LEU A 94 -7.852 3.924 8.254 1.00 0.00 C ATOM 1465 CG LEU A 94 -8.401 5.185 7.599 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.251 4.815 6.407 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.223 5.987 8.594 1.00 0.00 C ATOM 0 H LEU A 94 -5.251 4.285 8.237 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.405 4.793 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.312 3.355 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.696 3.311 8.572 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.564 5.799 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.641 5.721 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.646 4.268 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.081 4.188 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.607 6.884 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.057 5.381 8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.596 6.272 9.439 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.173 1.849 9.346 1.00 0.00 N ATOM 1480 CA ASP A 95 -5.967 0.483 9.786 1.00 0.00 C ATOM 1481 C ASP A 95 -4.864 -0.177 9.023 1.00 0.00 C ATOM 1482 O ASP A 95 -4.493 0.265 7.953 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.242 -0.351 9.699 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.956 -0.267 8.371 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.587 -0.967 7.431 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -8.945 0.493 8.269 1.00 0.00 O ATOM 0 H ASP A 95 -5.885 2.017 8.382 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.678 0.538 10.836 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.993 -1.393 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.925 -0.030 10.485 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.305 -1.202 9.593 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.219 -1.907 8.970 1.00 0.00 C ATOM 1493 C LYS A 96 -3.321 -3.407 9.202 1.00 0.00 C ATOM 1494 O LYS A 96 -3.741 -3.859 10.266 1.00 0.00 O ATOM 1495 CB LYS A 96 -1.873 -1.371 9.470 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.712 -1.419 10.978 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.367 -0.889 11.402 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.233 -0.901 12.906 1.00 0.00 C ATOM 1499 NZ LYS A 96 1.082 -0.427 13.335 1.00 0.00 N ATOM 0 H LYS A 96 -4.586 -1.574 10.500 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.284 -1.735 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.070 -1.948 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.757 -0.340 9.135 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.501 -0.833 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.827 -2.446 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.423 -1.494 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.238 0.127 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.008 -0.273 13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.394 -1.913 13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.137 -0.449 14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.820 -1.042 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.226 0.548 13.001 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.936 -4.160 8.216 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.939 -5.600 8.286 1.00 0.00 C ATOM 1515 C VAL A 97 -1.504 -6.070 8.178 1.00 0.00 C ATOM 1516 O VAL A 97 -0.817 -5.764 7.205 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.783 -6.228 7.134 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.785 -7.753 7.220 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.209 -5.697 7.160 1.00 0.00 C ATOM 0 H VAL A 97 -2.605 -3.791 7.325 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.388 -5.914 9.228 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.321 -5.941 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.381 -8.163 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.763 -8.123 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.213 -8.063 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.780 -6.148 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.673 -5.948 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.196 -4.614 7.037 1.00 0.00 H new ATOM 1529 N VAL A 98 -1.042 -6.769 9.172 1.00 0.00 N ATOM 1530 CA VAL A 98 0.314 -7.245 9.159 1.00 0.00 C ATOM 1531 C VAL A 98 0.352 -8.733 8.804 1.00 0.00 C ATOM 1532 O VAL A 98 -0.364 -9.552 9.404 1.00 0.00 O ATOM 1533 CB VAL A 98 1.058 -6.947 10.500 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.422 -7.651 11.695 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.531 -7.272 10.388 1.00 0.00 C ATOM 0 H VAL A 98 -1.580 -7.023 10.001 1.00 0.00 H new ATOM 0 HA VAL A 98 0.852 -6.697 8.386 1.00 0.00 H new ATOM 0 HB VAL A 98 0.958 -5.877 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.980 -7.408 12.599 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.610 -7.319 11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.442 -8.729 11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.024 -7.055 11.335 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.653 -8.328 10.149 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.978 -6.667 9.599 1.00 0.00 H new ATOM 1545 N GLY A 99 1.151 -9.064 7.822 1.00 0.00 N ATOM 1546 CA GLY A 99 1.249 -10.416 7.362 1.00 0.00 C ATOM 1547 C GLY A 99 0.416 -10.606 6.126 1.00 0.00 C ATOM 1548 O GLY A 99 -0.619 -9.944 5.970 1.00 0.00 O ATOM 0 H GLY A 99 1.748 -8.403 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.290 -10.661 7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.914 -11.099 8.143 1.00 0.00 H new ATOM 1552 N ALA A 100 0.837 -11.482 5.240 1.00 0.00 N ATOM 1553 CA ALA A 100 0.081 -11.695 4.038 1.00 0.00 C ATOM 1554 C ALA A 100 -1.109 -12.554 4.361 1.00 0.00 C ATOM 1555 O ALA A 100 -0.979 -13.743 4.657 1.00 0.00 O ATOM 1556 CB ALA A 100 0.947 -12.351 2.973 1.00 0.00 C ATOM 0 H ALA A 100 1.682 -12.046 5.330 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.259 -10.738 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.358 -12.505 2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.797 -11.707 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.308 -13.312 3.339 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.254 -11.943 4.349 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.479 -12.595 4.614 1.00 0.00 C ATOM 1564 C LYS A 101 -4.414 -12.317 3.475 1.00 0.00 C ATOM 1565 O LYS A 101 -4.820 -11.189 3.314 1.00 0.00 O ATOM 1566 CB LYS A 101 -4.059 -12.025 5.897 1.00 0.00 C ATOM 1567 CG LYS A 101 -3.123 -12.169 7.080 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.696 -11.643 8.341 1.00 0.00 C ATOM 1569 CE LYS A 101 -4.924 -12.420 8.798 1.00 0.00 C ATOM 1570 NZ LYS A 101 -4.615 -13.841 9.061 1.00 0.00 N ATOM 0 H LYS A 101 -2.354 -10.948 4.148 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.334 -13.670 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.290 -10.970 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.999 -12.529 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.874 -13.222 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.192 -11.645 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.937 -11.678 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.964 -10.595 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.326 -11.963 9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.700 -12.353 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.400 -14.275 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.485 -14.341 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.742 -13.908 9.622 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.752 -13.304 2.675 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.624 -13.071 1.570 1.00 0.00 C ATOM 1586 C LYS A 102 -7.047 -12.746 2.006 1.00 0.00 C ATOM 1587 O LYS A 102 -7.629 -11.729 1.592 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.650 -14.262 0.646 1.00 0.00 C ATOM 1589 CG LYS A 102 -4.446 -14.416 -0.248 1.00 0.00 C ATOM 1590 CD LYS A 102 -4.674 -15.545 -1.225 1.00 0.00 C ATOM 1591 CE LYS A 102 -3.559 -15.659 -2.231 1.00 0.00 C ATOM 1592 NZ LYS A 102 -3.788 -16.769 -3.188 1.00 0.00 N ATOM 0 H LYS A 102 -4.433 -14.267 2.777 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.225 -12.203 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.752 -15.165 1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.540 -14.195 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.262 -13.487 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.559 -14.617 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.766 -16.484 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.618 -15.387 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.467 -14.721 -2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.615 -15.818 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.968 -17.408 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.640 -17.297 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.917 -16.382 -4.145 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.584 -13.581 2.869 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.976 -13.474 3.276 1.00 0.00 C ATOM 1608 C ASP A 103 -9.259 -12.235 4.104 1.00 0.00 C ATOM 1609 O ASP A 103 -10.199 -11.491 3.800 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.429 -14.732 4.002 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.847 -14.634 4.500 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.794 -14.744 3.681 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -11.044 -14.480 5.715 1.00 0.00 O ATOM 0 H ASP A 103 -7.076 -14.349 3.308 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.559 -13.371 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.342 -15.586 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.764 -14.920 4.845 1.00 0.00 H new ATOM 1618 N GLU A 104 -8.440 -11.981 5.124 1.00 0.00 N ATOM 1619 CA GLU A 104 -8.653 -10.801 5.954 1.00 0.00 C ATOM 1620 C GLU A 104 -8.411 -9.527 5.158 1.00 0.00 C ATOM 1621 O GLU A 104 -9.042 -8.507 5.407 1.00 0.00 O ATOM 1622 CB GLU A 104 -7.820 -10.817 7.252 1.00 0.00 C ATOM 1623 CG GLU A 104 -8.035 -9.567 8.111 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.338 -9.594 9.449 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -6.124 -9.363 9.511 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.021 -9.798 10.471 1.00 0.00 O ATOM 0 H GLU A 104 -7.644 -12.560 5.389 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.698 -10.823 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.080 -11.701 7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.763 -10.901 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.689 -8.696 7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.104 -9.436 8.276 1.00 0.00 H new ATOM 1633 N LEU A 105 -7.527 -9.595 4.180 1.00 0.00 N ATOM 1634 CA LEU A 105 -7.236 -8.449 3.343 1.00 0.00 C ATOM 1635 C LEU A 105 -8.495 -8.044 2.614 1.00 0.00 C ATOM 1636 O LEU A 105 -8.891 -6.896 2.643 1.00 0.00 O ATOM 1637 CB LEU A 105 -6.166 -8.791 2.338 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.609 -7.634 1.526 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -4.998 -6.585 2.446 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.565 -8.131 0.546 1.00 0.00 C ATOM 0 H LEU A 105 -6.997 -10.435 3.946 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.881 -7.629 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.340 -9.267 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.570 -9.531 1.647 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.428 -7.180 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.603 -5.763 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.762 -6.206 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.190 -7.034 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.176 -7.290 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.750 -8.606 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.018 -8.855 -0.132 1.00 0.00 H new ATOM 1652 N GLN A 106 -9.126 -9.020 1.988 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.407 -8.811 1.288 1.00 0.00 C ATOM 1654 C GLN A 106 -11.474 -8.276 2.213 1.00 0.00 C ATOM 1655 O GLN A 106 -12.254 -7.402 1.837 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.886 -10.099 0.629 1.00 0.00 C ATOM 1657 CG GLN A 106 -10.029 -10.529 -0.522 1.00 0.00 C ATOM 1658 CD GLN A 106 -10.082 -9.530 -1.656 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.913 -9.632 -2.549 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -9.216 -8.553 -1.625 1.00 0.00 N ATOM 0 H GLN A 106 -8.779 -9.978 1.943 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.227 -8.064 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.907 -10.894 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.909 -9.962 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.999 -10.645 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.360 -11.504 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.537 -8.498 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.219 -7.845 -2.360 1.00 0.00 H new ATOM 1669 N SER A 107 -11.486 -8.768 3.419 1.00 0.00 N ATOM 1670 CA SER A 107 -12.463 -8.339 4.396 1.00 0.00 C ATOM 1671 C SER A 107 -12.187 -6.899 4.819 1.00 0.00 C ATOM 1672 O SER A 107 -13.109 -6.126 5.071 1.00 0.00 O ATOM 1673 CB SER A 107 -12.459 -9.285 5.586 1.00 0.00 C ATOM 1674 OG SER A 107 -12.697 -10.619 5.151 1.00 0.00 O ATOM 0 H SER A 107 -10.829 -9.471 3.757 1.00 0.00 H new ATOM 0 HA SER A 107 -13.457 -8.368 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.501 -9.228 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 107 -13.225 -8.985 6.301 1.00 0.00 H new ATOM 0 HG SER A 107 -11.895 -10.966 4.707 1.00 0.00 H new ATOM 1680 N THR A 108 -10.916 -6.548 4.854 1.00 0.00 N ATOM 1681 CA THR A 108 -10.484 -5.214 5.167 1.00 0.00 C ATOM 1682 C THR A 108 -10.830 -4.274 4.004 1.00 0.00 C ATOM 1683 O THR A 108 -11.272 -3.148 4.219 1.00 0.00 O ATOM 1684 CB THR A 108 -8.966 -5.197 5.461 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.709 -6.121 6.532 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.502 -3.803 5.889 1.00 0.00 C ATOM 0 H THR A 108 -10.151 -7.195 4.662 1.00 0.00 H new ATOM 0 HA THR A 108 -11.002 -4.867 6.061 1.00 0.00 H new ATOM 0 HB THR A 108 -8.425 -5.476 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.796 -7.039 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.431 -3.822 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.710 -3.090 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.034 -3.504 6.792 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.659 -4.761 2.775 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.022 -3.991 1.592 1.00 0.00 C ATOM 1696 C ILE A 109 -12.512 -3.669 1.640 1.00 0.00 C ATOM 1697 O ILE A 109 -12.906 -2.526 1.509 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.697 -4.755 0.267 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.197 -5.079 0.156 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.152 -3.954 -0.947 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.291 -3.865 0.148 1.00 0.00 C ATOM 0 H ILE A 109 -10.272 -5.683 2.576 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.431 -3.075 1.597 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.246 -5.696 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.914 -5.722 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.028 -5.649 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.915 -4.506 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.228 -3.790 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.639 -2.993 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.253 -4.186 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.541 -3.230 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.426 -3.304 1.073 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.323 -4.684 1.888 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.772 -4.513 1.975 1.00 0.00 C ATOM 1715 C ALA A 110 -15.161 -3.653 3.183 1.00 0.00 C ATOM 1716 O ALA A 110 -16.168 -2.966 3.165 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.474 -5.861 2.010 1.00 0.00 C ATOM 0 H ALA A 110 -13.005 -5.642 2.034 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.101 -3.985 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.551 -5.709 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.240 -6.417 1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -15.135 -6.426 2.878 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.365 -3.724 4.231 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.583 -2.931 5.432 1.00 0.00 C ATOM 1725 C LYS A 111 -14.428 -1.454 5.087 1.00 0.00 C ATOM 1726 O LYS A 111 -15.162 -0.602 5.578 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.568 -3.323 6.463 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.825 -2.805 7.865 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.770 -3.327 8.824 1.00 0.00 C ATOM 1730 CE LYS A 111 -13.035 -2.881 10.248 1.00 0.00 C ATOM 1731 NZ LYS A 111 -11.982 -3.351 11.177 1.00 0.00 N ATOM 0 H LYS A 111 -13.548 -4.332 4.278 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.585 -3.106 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.516 -4.411 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -12.590 -2.968 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.817 -1.715 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -14.815 -3.116 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.748 -4.416 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.787 -2.976 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.092 -1.793 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -14.003 -3.261 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.199 -3.026 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.945 -4.390 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.062 -2.967 10.881 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.457 -1.176 4.239 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.231 0.155 3.724 1.00 0.00 C ATOM 1747 C HIS A 112 -14.288 0.544 2.691 1.00 0.00 C ATOM 1748 O HIS A 112 -14.866 1.628 2.763 1.00 0.00 O ATOM 1749 CB HIS A 112 -11.837 0.285 3.105 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.695 0.422 4.071 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.057 1.613 4.292 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.042 -0.485 4.827 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.070 1.430 5.129 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.041 0.167 5.465 1.00 0.00 N ATOM 0 H HIS A 112 -12.800 -1.873 3.888 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.304 0.836 4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.656 -0.590 2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.834 1.153 2.445 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.275 -1.537 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.393 2.193 5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.371 -0.259 6.105 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.548 -0.338 1.749 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.468 -0.094 0.706 1.00 0.00 C ATOM 1765 C LEU A 113 -16.891 -0.408 1.108 1.00 0.00 C ATOM 1766 O LEU A 113 -17.336 -1.547 1.008 1.00 0.00 O ATOM 1767 CB LEU A 113 -15.076 -0.897 -0.519 1.00 0.00 C ATOM 1768 CG LEU A 113 -13.952 -0.352 -1.421 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -14.328 0.995 -1.998 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -12.614 -0.269 -0.702 1.00 0.00 C ATOM 0 H LEU A 113 -14.107 -1.257 1.704 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.431 0.971 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -14.781 -1.891 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -15.967 -1.020 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 113 -13.833 -1.065 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.518 1.358 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.236 0.896 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.500 1.703 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.858 0.121 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.704 0.394 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.320 -1.263 -0.365 1.00 0.00 H new