USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 488 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 39 ASN : amide:sc= -1.3 K(o=-1.4,f=0.88) USER MOD Set 1.2: A 69 SER OG : rot 160:sc= -0.0791 USER MOD Set 2.1: A 10 LYS NZ :NH3+ 161:sc= 0.081 (180deg=0) USER MOD Set 2.2: A 22 THR OG1 : rot 30:sc= -0.0614 USER MOD Single : A 4 LYS NZ :NH3+ -152:sc= -1.29! (180deg=-2.08) USER MOD Single : A 5 MET CE :methyl -163:sc=-0.00963 (180deg=-0.29) USER MOD Single : A 6 THR OG1 : rot 173:sc= 0.387 USER MOD Single : A 13 ASN : amide:sc= -7.12! C(o=-7.1!,f=-18!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= -0.171 (180deg=-1.4!) USER MOD Single : A 33 HIS : no HD1:sc= -13! C(o=-13!,f=-10!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.6! C(o=-4.6!,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 88:sc= -0.323! USER MOD Single : A 49 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.49) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -2.18 (180deg=-2.97!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.164 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 57 SER OG : rot 31:sc= 0.356 USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.092 (180deg=-0.738) USER MOD Single : A 66 ASN : amide:sc= -0.0389 K(o=-0.039,f=-0.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 3 -9.651 -0.948 11.829 1.00 0.00 N ATOM 13 CA GLY A 3 -8.981 -2.167 11.406 1.00 0.00 C ATOM 14 C GLY A 3 -8.115 -1.868 10.180 1.00 0.00 C ATOM 15 O GLY A 3 -6.881 -1.892 10.312 1.00 0.00 O ATOM 0 HA2 GLY A 3 -8.364 -2.556 12.216 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.716 -2.936 11.168 1.00 0.00 H new ATOM 19 N LYS A 4 -8.764 -1.598 9.035 1.00 0.00 N ATOM 20 CA LYS A 4 -8.058 -1.298 7.801 1.00 0.00 C ATOM 21 C LYS A 4 -8.222 0.186 7.472 1.00 0.00 C ATOM 22 O LYS A 4 -9.158 0.807 7.996 1.00 0.00 O ATOM 23 CB LYS A 4 -8.519 -2.232 6.680 1.00 0.00 C ATOM 24 CG LYS A 4 -7.769 -3.563 6.732 1.00 0.00 C ATOM 25 CD LYS A 4 -8.468 -4.621 5.873 1.00 0.00 C ATOM 26 CE LYS A 4 -9.967 -4.670 6.176 1.00 0.00 C ATOM 27 NZ LYS A 4 -10.203 -4.574 7.626 1.00 0.00 N ATOM 0 H LYS A 4 -9.780 -1.584 8.950 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.990 -1.482 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.591 -2.411 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.354 -1.755 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.747 -3.422 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.707 -3.910 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.314 -4.397 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.023 -5.598 6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.474 -3.852 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.391 -5.598 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.090 -5.061 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.414 -5.020 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.272 -3.573 7.901 1.00 0.00 H new ATOM 41 N MET A 5 -7.323 0.718 6.624 1.00 0.00 N ATOM 42 CA MET A 5 -7.368 2.116 6.231 1.00 0.00 C ATOM 43 C MET A 5 -6.840 2.257 4.802 1.00 0.00 C ATOM 44 O MET A 5 -6.306 1.273 4.271 1.00 0.00 O ATOM 45 CB MET A 5 -6.514 2.963 7.177 1.00 0.00 C ATOM 46 CG MET A 5 -5.296 2.178 7.667 1.00 0.00 C ATOM 47 SD MET A 5 -5.654 1.412 9.275 1.00 0.00 S ATOM 48 CE MET A 5 -4.357 2.185 10.288 1.00 0.00 C ATOM 0 H MET A 5 -6.559 0.189 6.203 1.00 0.00 H new ATOM 0 HA MET A 5 -8.399 2.465 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.186 3.868 6.665 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.114 3.279 8.030 1.00 0.00 H new ATOM 0 HG2 MET A 5 -5.032 1.410 6.940 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.436 2.842 7.755 1.00 0.00 H new ATOM 0 HE1 MET A 5 -4.231 1.619 11.211 1.00 0.00 H new ATOM 0 HE2 MET A 5 -3.418 2.190 9.735 1.00 0.00 H new ATOM 0 HE3 MET A 5 -4.644 3.209 10.526 1.00 0.00 H new ATOM 58 N THR A 6 -6.997 3.458 4.219 1.00 0.00 N ATOM 59 CA THR A 6 -6.540 3.723 2.865 1.00 0.00 C ATOM 60 C THR A 6 -5.018 3.576 2.808 1.00 0.00 C ATOM 61 O THR A 6 -4.379 3.639 3.868 1.00 0.00 O ATOM 62 CB THR A 6 -7.033 5.108 2.444 1.00 0.00 C ATOM 63 OG1 THR A 6 -6.276 6.006 3.252 1.00 0.00 O ATOM 64 CG2 THR A 6 -8.483 5.366 2.860 1.00 0.00 C ATOM 0 H THR A 6 -7.440 4.256 4.675 1.00 0.00 H new ATOM 0 HA THR A 6 -6.950 3.004 2.156 1.00 0.00 H new ATOM 0 HB THR A 6 -6.942 5.212 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.452 6.928 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.782 6.363 2.537 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.132 4.624 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.569 5.295 3.944 1.00 0.00 H new ATOM 72 N GLY A 7 -4.477 3.385 1.591 1.00 0.00 N ATOM 73 CA GLY A 7 -3.044 3.232 1.402 1.00 0.00 C ATOM 74 C GLY A 7 -2.770 2.794 -0.039 1.00 0.00 C ATOM 75 O GLY A 7 -3.036 1.627 -0.361 1.00 0.00 O ATOM 0 H GLY A 7 -5.021 3.335 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.535 4.173 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.650 2.494 2.100 1.00 0.00 H new ATOM 79 N ILE A 8 -2.250 3.723 -0.862 1.00 0.00 N ATOM 80 CA ILE A 8 -1.943 3.435 -2.251 1.00 0.00 C ATOM 81 C ILE A 8 -0.597 2.713 -2.333 1.00 0.00 C ATOM 82 O ILE A 8 0.358 3.172 -1.691 1.00 0.00 O ATOM 83 CB ILE A 8 -2.008 4.711 -3.090 1.00 0.00 C ATOM 84 CG1 ILE A 8 -0.609 5.286 -3.323 1.00 0.00 C ATOM 85 CG2 ILE A 8 -2.950 5.737 -2.457 1.00 0.00 C ATOM 86 CD1 ILE A 8 -0.664 6.514 -4.237 1.00 0.00 C ATOM 0 H ILE A 8 -2.038 4.679 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.691 2.765 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.419 4.456 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.161 5.559 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.031 4.525 -3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.978 6.635 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.952 5.315 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.592 5.993 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.344 6.902 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.090 6.232 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.285 7.283 -3.777 1.00 0.00 H new ATOM 98 N VAL A 9 -0.547 1.615 -3.110 1.00 0.00 N ATOM 99 CA VAL A 9 0.671 0.840 -3.270 1.00 0.00 C ATOM 100 C VAL A 9 1.627 1.588 -4.201 1.00 0.00 C ATOM 101 O VAL A 9 1.201 1.970 -5.302 1.00 0.00 O ATOM 102 CB VAL A 9 0.335 -0.568 -3.767 1.00 0.00 C ATOM 103 CG1 VAL A 9 0.104 -0.576 -5.278 1.00 0.00 C ATOM 104 CG2 VAL A 9 1.427 -1.564 -3.373 1.00 0.00 C ATOM 0 H VAL A 9 -1.345 1.254 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 9 1.176 0.721 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.592 -0.880 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.133 -1.589 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.725 0.088 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.005 -0.233 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.163 -2.556 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.376 -1.256 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.521 -1.590 -2.287 1.00 0.00 H new ATOM 114 N LYS A 10 2.880 1.783 -3.750 1.00 0.00 N ATOM 115 CA LYS A 10 3.883 2.480 -4.536 1.00 0.00 C ATOM 116 C LYS A 10 4.386 1.555 -5.647 1.00 0.00 C ATOM 117 O LYS A 10 3.866 1.643 -6.769 1.00 0.00 O ATOM 118 CB LYS A 10 4.994 3.017 -3.632 1.00 0.00 C ATOM 119 CG LYS A 10 5.036 4.545 -3.666 1.00 0.00 C ATOM 120 CD LYS A 10 6.266 5.076 -2.926 1.00 0.00 C ATOM 121 CE LYS A 10 6.252 6.605 -2.865 1.00 0.00 C ATOM 122 NZ LYS A 10 7.010 7.082 -1.697 1.00 0.00 N ATOM 0 H LYS A 10 3.211 1.462 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 10 3.448 3.354 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.832 2.677 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.955 2.616 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.053 4.889 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.131 4.948 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.291 4.668 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.172 4.737 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.684 7.015 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.224 6.963 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.267 8.080 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.425 6.989 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.874 6.514 -1.589 1.00 0.00 H new ATOM 136 N TRP A 11 5.373 0.702 -5.319 1.00 0.00 N ATOM 137 CA TRP A 11 5.939 -0.227 -6.282 1.00 0.00 C ATOM 138 C TRP A 11 6.214 -1.565 -5.593 1.00 0.00 C ATOM 139 O TRP A 11 6.262 -1.590 -4.355 1.00 0.00 O ATOM 140 CB TRP A 11 7.185 0.378 -6.934 1.00 0.00 C ATOM 141 CG TRP A 11 7.389 1.862 -6.626 1.00 0.00 C ATOM 142 CD1 TRP A 11 7.899 2.412 -5.515 1.00 0.00 C ATOM 143 CD2 TRP A 11 7.066 2.971 -7.490 1.00 0.00 C ATOM 144 NE1 TRP A 11 7.929 3.788 -5.599 1.00 0.00 N ATOM 145 CE2 TRP A 11 7.406 4.139 -6.840 1.00 0.00 C ATOM 146 CE3 TRP A 11 6.507 2.987 -8.780 1.00 0.00 C ATOM 147 CZ2 TRP A 11 7.224 5.411 -7.399 1.00 0.00 C ATOM 148 CZ3 TRP A 11 6.331 4.265 -9.325 1.00 0.00 C ATOM 149 CH2 TRP A 11 6.668 5.450 -8.683 1.00 0.00 C ATOM 0 H TRP A 11 5.788 0.646 -4.389 1.00 0.00 H new ATOM 0 HA TRP A 11 5.230 -0.415 -7.088 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.063 -0.176 -6.600 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.117 0.247 -8.014 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.243 1.848 -4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.271 4.430 -4.884 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.235 2.085 -9.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.498 6.311 -6.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.903 4.334 -10.314 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.502 6.398 -9.173 1.00 0.00 H new ATOM 160 N PHE A 12 6.384 -2.631 -6.394 1.00 0.00 N ATOM 161 CA PHE A 12 6.651 -3.958 -5.865 1.00 0.00 C ATOM 162 C PHE A 12 7.784 -4.602 -6.664 1.00 0.00 C ATOM 163 O PHE A 12 8.008 -4.188 -7.810 1.00 0.00 O ATOM 164 CB PHE A 12 5.368 -4.808 -5.953 1.00 0.00 C ATOM 165 CG PHE A 12 5.193 -5.557 -7.266 1.00 0.00 C ATOM 166 CD1 PHE A 12 5.329 -4.881 -8.500 1.00 0.00 C ATOM 167 CD2 PHE A 12 4.883 -6.938 -7.257 1.00 0.00 C ATOM 168 CE1 PHE A 12 5.162 -5.579 -9.714 1.00 0.00 C ATOM 169 CE2 PHE A 12 4.717 -7.635 -8.473 1.00 0.00 C ATOM 170 CZ PHE A 12 4.856 -6.956 -9.702 1.00 0.00 C ATOM 0 H PHE A 12 6.339 -2.588 -7.412 1.00 0.00 H new ATOM 0 HA PHE A 12 6.955 -3.892 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.369 -5.529 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.506 -4.158 -5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.562 -3.826 -8.513 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.773 -7.460 -6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.269 -5.059 -10.654 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.483 -8.689 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.728 -7.490 -10.632 1.00 0.00 H new ATOM 180 N ASN A 13 8.466 -5.588 -6.053 1.00 0.00 N ATOM 181 CA ASN A 13 9.566 -6.282 -6.704 1.00 0.00 C ATOM 182 C ASN A 13 9.782 -7.636 -6.024 1.00 0.00 C ATOM 183 O ASN A 13 9.632 -7.710 -4.796 1.00 0.00 O ATOM 184 CB ASN A 13 10.866 -5.482 -6.589 1.00 0.00 C ATOM 185 CG ASN A 13 12.060 -6.410 -6.355 1.00 0.00 C ATOM 186 OD1 ASN A 13 12.282 -6.915 -5.267 1.00 0.00 O ATOM 187 ND2 ASN A 13 12.815 -6.602 -7.433 1.00 0.00 N ATOM 0 H ASN A 13 8.266 -5.914 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 13 9.311 -6.407 -7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.023 -4.903 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.788 -4.770 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.637 -7.203 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.572 -6.148 -8.313 1.00 0.00 H new ATOM 194 N ALA A 14 10.125 -8.661 -6.823 1.00 0.00 N ATOM 195 CA ALA A 14 10.358 -9.999 -6.303 1.00 0.00 C ATOM 196 C ALA A 14 11.828 -10.372 -6.512 1.00 0.00 C ATOM 197 O ALA A 14 12.091 -11.490 -6.976 1.00 0.00 O ATOM 198 CB ALA A 14 9.540 -11.013 -7.103 1.00 0.00 C ATOM 0 H ALA A 14 10.245 -8.577 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 14 10.083 -10.013 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.717 -12.014 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.480 -10.773 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.839 -10.976 -8.151 1.00 0.00 H new ATOM 204 N ASP A 15 12.740 -9.444 -6.168 1.00 0.00 N ATOM 205 CA ASP A 15 14.166 -9.676 -6.317 1.00 0.00 C ATOM 206 C ASP A 15 14.927 -8.797 -5.322 1.00 0.00 C ATOM 207 O ASP A 15 15.577 -9.351 -4.423 1.00 0.00 O ATOM 208 CB ASP A 15 14.639 -9.313 -7.727 1.00 0.00 C ATOM 209 CG ASP A 15 15.775 -10.183 -8.271 1.00 0.00 C ATOM 210 OD1 ASP A 15 16.928 -9.973 -7.733 1.00 0.00 O ATOM 211 OD2 ASP A 15 15.569 -11.018 -9.163 1.00 0.00 O ATOM 0 H ASP A 15 12.502 -8.529 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 15 14.357 -10.733 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.791 -9.382 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.965 -8.273 -7.728 1.00 0.00 H new ATOM 216 N LYS A 16 14.834 -7.466 -5.501 1.00 0.00 N ATOM 217 CA LYS A 16 15.510 -6.524 -4.625 1.00 0.00 C ATOM 218 C LYS A 16 15.195 -6.871 -3.169 1.00 0.00 C ATOM 219 O LYS A 16 16.137 -6.967 -2.368 1.00 0.00 O ATOM 220 CB LYS A 16 15.150 -5.087 -5.007 1.00 0.00 C ATOM 221 CG LYS A 16 14.029 -4.546 -4.115 1.00 0.00 C ATOM 222 CD LYS A 16 13.807 -3.052 -4.359 1.00 0.00 C ATOM 223 CE LYS A 16 14.922 -2.219 -3.727 1.00 0.00 C ATOM 224 NZ LYS A 16 14.364 -1.254 -2.766 1.00 0.00 N ATOM 0 H LYS A 16 14.294 -7.030 -6.249 1.00 0.00 H new ATOM 0 HA LYS A 16 16.591 -6.601 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.031 -4.451 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.838 -5.052 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.106 -5.092 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.280 -4.714 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.767 -2.858 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.845 -2.752 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.632 -2.874 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.473 -1.690 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.135 -0.697 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.704 -0.617 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.858 -1.765 -2.015 1.00 0.00 H new ATOM 238 N GLY A 17 13.898 -7.049 -2.859 1.00 0.00 N ATOM 239 CA GLY A 17 13.466 -7.381 -1.512 1.00 0.00 C ATOM 240 C GLY A 17 12.078 -6.787 -1.264 1.00 0.00 C ATOM 241 O GLY A 17 11.866 -6.214 -0.185 1.00 0.00 O ATOM 0 H GLY A 17 13.138 -6.966 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.439 -8.463 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.177 -6.991 -0.783 1.00 0.00 H new ATOM 245 N PHE A 18 11.176 -6.932 -2.251 1.00 0.00 N ATOM 246 CA PHE A 18 9.823 -6.414 -2.141 1.00 0.00 C ATOM 247 C PHE A 18 9.814 -4.937 -2.537 1.00 0.00 C ATOM 248 O PHE A 18 10.790 -4.486 -3.153 1.00 0.00 O ATOM 249 CB PHE A 18 9.328 -6.595 -0.692 1.00 0.00 C ATOM 250 CG PHE A 18 9.782 -7.884 -0.021 1.00 0.00 C ATOM 251 CD1 PHE A 18 10.097 -9.018 -0.807 1.00 0.00 C ATOM 252 CD2 PHE A 18 9.899 -7.955 1.386 1.00 0.00 C ATOM 253 CE1 PHE A 18 10.522 -10.213 -0.188 1.00 0.00 C ATOM 254 CE2 PHE A 18 10.326 -9.151 2.004 1.00 0.00 C ATOM 255 CZ PHE A 18 10.636 -10.280 1.217 1.00 0.00 C ATOM 0 H PHE A 18 11.372 -7.407 -3.132 1.00 0.00 H new ATOM 0 HA PHE A 18 9.155 -6.958 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.673 -5.750 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.238 -6.564 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.012 -8.969 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.661 -7.092 1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.760 -11.077 -0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.415 -9.201 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.960 -11.195 1.690 1.00 0.00 H new ATOM 265 N GLY A 19 8.729 -4.224 -2.181 1.00 0.00 N ATOM 266 CA GLY A 19 8.597 -2.814 -2.499 1.00 0.00 C ATOM 267 C GLY A 19 8.112 -2.059 -1.258 1.00 0.00 C ATOM 268 O GLY A 19 8.276 -2.586 -0.147 1.00 0.00 O ATOM 0 H GLY A 19 7.936 -4.614 -1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.554 -2.413 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.892 -2.679 -3.320 1.00 0.00 H new ATOM 272 N PHE A 20 7.536 -0.862 -1.467 1.00 0.00 N ATOM 273 CA PHE A 20 7.033 -0.049 -0.373 1.00 0.00 C ATOM 274 C PHE A 20 5.680 0.549 -0.767 1.00 0.00 C ATOM 275 O PHE A 20 5.385 0.599 -1.970 1.00 0.00 O ATOM 276 CB PHE A 20 8.051 1.065 -0.061 1.00 0.00 C ATOM 277 CG PHE A 20 9.510 0.641 -0.173 1.00 0.00 C ATOM 278 CD1 PHE A 20 10.070 0.331 -1.436 1.00 0.00 C ATOM 279 CD2 PHE A 20 10.313 0.549 0.988 1.00 0.00 C ATOM 280 CE1 PHE A 20 11.420 -0.065 -1.534 1.00 0.00 C ATOM 281 CE2 PHE A 20 11.663 0.153 0.887 1.00 0.00 C ATOM 282 CZ PHE A 20 12.217 -0.154 -0.374 1.00 0.00 C ATOM 0 H PHE A 20 7.412 -0.445 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 20 6.897 -0.661 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.876 1.900 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 20 7.870 1.432 0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 20 9.462 0.398 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.891 0.783 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 20 11.844 -0.300 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.273 0.085 1.775 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.251 -0.457 -0.451 1.00 0.00 H new ATOM 292 N ILE A 21 4.897 0.980 0.238 1.00 0.00 N ATOM 293 CA ILE A 21 3.590 1.567 -0.002 1.00 0.00 C ATOM 294 C ILE A 21 3.617 3.044 0.398 1.00 0.00 C ATOM 295 O ILE A 21 4.599 3.466 1.025 1.00 0.00 O ATOM 296 CB ILE A 21 2.502 0.757 0.706 1.00 0.00 C ATOM 297 CG1 ILE A 21 2.038 -0.415 -0.162 1.00 0.00 C ATOM 298 CG2 ILE A 21 1.336 1.656 1.124 1.00 0.00 C ATOM 299 CD1 ILE A 21 0.512 -0.495 -0.206 1.00 0.00 C ATOM 0 H ILE A 21 5.158 0.927 1.223 1.00 0.00 H new ATOM 0 HA ILE A 21 3.344 1.529 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 21 2.928 0.335 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.429 -0.300 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.443 -1.347 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.576 1.057 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.697 2.427 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.904 2.125 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.210 -1.336 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.126 -0.634 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.111 0.429 -0.624 1.00 0.00 H new ATOM 311 N THR A 22 2.556 3.786 0.034 1.00 0.00 N ATOM 312 CA THR A 22 2.460 5.200 0.352 1.00 0.00 C ATOM 313 C THR A 22 1.022 5.529 0.761 1.00 0.00 C ATOM 314 O THR A 22 0.132 5.441 -0.097 1.00 0.00 O ATOM 315 CB THR A 22 2.951 6.007 -0.851 1.00 0.00 C ATOM 316 OG1 THR A 22 4.336 6.211 -0.592 1.00 0.00 O ATOM 317 CG2 THR A 22 2.365 7.420 -0.887 1.00 0.00 C ATOM 0 H THR A 22 1.757 3.418 -0.482 1.00 0.00 H new ATOM 0 HA THR A 22 3.093 5.465 1.199 1.00 0.00 H new ATOM 0 HB THR A 22 2.690 5.483 -1.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.686 5.458 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.746 7.950 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.278 7.362 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.653 7.957 0.017 1.00 0.00 H new ATOM 325 N PRO A 23 0.828 5.896 2.039 1.00 0.00 N ATOM 326 CA PRO A 23 -0.473 6.240 2.588 1.00 0.00 C ATOM 327 C PRO A 23 -0.915 7.627 2.117 1.00 0.00 C ATOM 328 O PRO A 23 -0.150 8.273 1.387 1.00 0.00 O ATOM 329 CB PRO A 23 -0.301 6.150 4.095 1.00 0.00 C ATOM 330 CG PRO A 23 1.197 6.213 4.349 1.00 0.00 C ATOM 331 CD PRO A 23 1.904 5.987 3.024 1.00 0.00 C ATOM 0 HA PRO A 23 -1.263 5.569 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.817 6.969 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.724 5.223 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.473 7.181 4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.493 5.455 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.584 6.807 2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.500 5.075 3.044 1.00 0.00 H new ATOM 339 N ASP A 24 -2.120 8.050 2.539 1.00 0.00 N ATOM 340 CA ASP A 24 -2.655 9.348 2.165 1.00 0.00 C ATOM 341 C ASP A 24 -1.522 10.377 2.150 1.00 0.00 C ATOM 342 O ASP A 24 -1.538 11.259 1.277 1.00 0.00 O ATOM 343 CB ASP A 24 -3.708 9.820 3.167 1.00 0.00 C ATOM 344 CG ASP A 24 -4.511 8.702 3.836 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.947 7.823 4.506 1.00 0.00 O ATOM 346 OD2 ASP A 24 -5.786 8.757 3.645 1.00 0.00 O ATOM 0 H ASP A 24 -2.734 7.501 3.141 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.112 9.252 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.214 10.406 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.401 10.488 2.656 1.00 0.00 H new ATOM 351 N ASP A 25 -0.578 10.247 3.097 1.00 0.00 N ATOM 352 CA ASP A 25 0.549 11.158 3.192 1.00 0.00 C ATOM 353 C ASP A 25 1.428 10.756 4.378 1.00 0.00 C ATOM 354 O ASP A 25 2.051 9.687 4.315 1.00 0.00 O ATOM 355 CB ASP A 25 0.079 12.596 3.418 1.00 0.00 C ATOM 356 CG ASP A 25 1.198 13.634 3.528 1.00 0.00 C ATOM 357 OD1 ASP A 25 2.339 13.389 3.111 1.00 0.00 O ATOM 358 OD2 ASP A 25 0.854 14.749 4.078 1.00 0.00 O ATOM 0 H ASP A 25 -0.583 9.513 3.805 1.00 0.00 H new ATOM 0 HA ASP A 25 1.104 11.103 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.580 12.880 2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.517 12.628 4.330 1.00 0.00 H new ATOM 363 N GLY A 26 1.458 11.606 5.421 1.00 0.00 N ATOM 364 CA GLY A 26 2.252 11.340 6.609 1.00 0.00 C ATOM 365 C GLY A 26 3.736 11.378 6.242 1.00 0.00 C ATOM 366 O GLY A 26 4.534 11.855 7.063 1.00 0.00 O ATOM 0 H GLY A 26 0.936 12.482 5.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.036 12.081 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.993 10.366 7.024 1.00 0.00 H new ATOM 370 N SER A 27 4.074 10.884 5.039 1.00 0.00 N ATOM 371 CA SER A 27 5.450 10.862 4.572 1.00 0.00 C ATOM 372 C SER A 27 6.027 9.459 4.766 1.00 0.00 C ATOM 373 O SER A 27 5.524 8.728 5.632 1.00 0.00 O ATOM 374 CB SER A 27 6.307 11.895 5.307 1.00 0.00 C ATOM 375 OG SER A 27 7.495 12.211 4.586 1.00 0.00 O ATOM 0 H SER A 27 3.402 10.495 4.377 1.00 0.00 H new ATOM 0 HA SER A 27 5.461 11.121 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.725 12.803 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.572 11.512 6.292 1.00 0.00 H new ATOM 0 HG SER A 27 8.014 12.875 5.086 1.00 0.00 H new ATOM 381 N LYS A 28 7.054 9.115 3.969 1.00 0.00 N ATOM 382 CA LYS A 28 7.691 7.810 4.052 1.00 0.00 C ATOM 383 C LYS A 28 6.841 6.784 3.301 1.00 0.00 C ATOM 384 O LYS A 28 5.907 7.193 2.598 1.00 0.00 O ATOM 385 CB LYS A 28 7.959 7.438 5.512 1.00 0.00 C ATOM 386 CG LYS A 28 8.508 8.634 6.291 1.00 0.00 C ATOM 387 CD LYS A 28 9.492 8.181 7.371 1.00 0.00 C ATOM 388 CE LYS A 28 9.271 8.951 8.674 1.00 0.00 C ATOM 389 NZ LYS A 28 8.998 10.369 8.393 1.00 0.00 N ATOM 0 H LYS A 28 7.454 9.732 3.262 1.00 0.00 H new ATOM 0 HA LYS A 28 8.667 7.830 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.037 7.089 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.670 6.613 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.005 9.321 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.685 9.182 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.373 7.113 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.514 8.333 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.437 8.516 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.152 8.863 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.386 10.956 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.443 10.636 7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.971 10.519 8.329 1.00 0.00 H new ATOM 403 N ASP A 29 7.176 5.491 3.462 1.00 0.00 N ATOM 404 CA ASP A 29 6.449 4.419 2.805 1.00 0.00 C ATOM 405 C ASP A 29 6.564 3.142 3.641 1.00 0.00 C ATOM 406 O ASP A 29 7.656 2.876 4.164 1.00 0.00 O ATOM 407 CB ASP A 29 7.030 4.130 1.418 1.00 0.00 C ATOM 408 CG ASP A 29 8.535 4.368 1.285 1.00 0.00 C ATOM 409 OD1 ASP A 29 8.908 5.593 1.431 1.00 0.00 O ATOM 410 OD2 ASP A 29 9.313 3.429 1.055 1.00 0.00 O ATOM 0 H ASP A 29 7.950 5.175 4.046 1.00 0.00 H new ATOM 0 HA ASP A 29 5.409 4.729 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.817 3.092 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.513 4.752 0.687 1.00 0.00 H new ATOM 415 N VAL A 30 5.452 2.392 3.750 1.00 0.00 N ATOM 416 CA VAL A 30 5.429 1.157 4.516 1.00 0.00 C ATOM 417 C VAL A 30 5.731 -0.019 3.585 1.00 0.00 C ATOM 418 O VAL A 30 4.992 -0.202 2.607 1.00 0.00 O ATOM 419 CB VAL A 30 4.091 1.019 5.242 1.00 0.00 C ATOM 420 CG1 VAL A 30 4.151 1.660 6.630 1.00 0.00 C ATOM 421 CG2 VAL A 30 2.952 1.614 4.411 1.00 0.00 C ATOM 0 H VAL A 30 4.562 2.630 3.312 1.00 0.00 H new ATOM 0 HA VAL A 30 6.201 1.168 5.286 1.00 0.00 H new ATOM 0 HB VAL A 30 3.889 -0.044 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.186 1.548 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.923 1.170 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.387 2.720 6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.011 1.503 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.145 2.672 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.887 1.092 3.456 1.00 0.00 H new ATOM 431 N PHE A 31 6.792 -0.782 3.904 1.00 0.00 N ATOM 432 CA PHE A 31 7.184 -1.929 3.102 1.00 0.00 C ATOM 433 C PHE A 31 5.934 -2.709 2.692 1.00 0.00 C ATOM 434 O PHE A 31 4.921 -2.616 3.400 1.00 0.00 O ATOM 435 CB PHE A 31 8.139 -2.818 3.921 1.00 0.00 C ATOM 436 CG PHE A 31 9.619 -2.551 3.680 1.00 0.00 C ATOM 437 CD1 PHE A 31 10.178 -1.298 4.024 1.00 0.00 C ATOM 438 CD2 PHE A 31 10.444 -3.553 3.120 1.00 0.00 C ATOM 439 CE1 PHE A 31 11.550 -1.050 3.805 1.00 0.00 C ATOM 440 CE2 PHE A 31 11.815 -3.305 2.902 1.00 0.00 C ATOM 441 CZ PHE A 31 12.368 -2.052 3.245 1.00 0.00 C ATOM 0 H PHE A 31 7.387 -0.615 4.715 1.00 0.00 H new ATOM 0 HA PHE A 31 7.700 -1.600 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.926 -2.677 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.930 -3.862 3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.554 -0.529 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.023 -4.512 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.974 -0.092 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.442 -4.073 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.418 -1.861 3.078 1.00 0.00 H new ATOM 451 N VAL A 32 6.028 -3.452 1.574 1.00 0.00 N ATOM 452 CA VAL A 32 4.913 -4.239 1.076 1.00 0.00 C ATOM 453 C VAL A 32 5.447 -5.377 0.204 1.00 0.00 C ATOM 454 O VAL A 32 6.504 -5.197 -0.419 1.00 0.00 O ATOM 455 CB VAL A 32 3.921 -3.336 0.340 1.00 0.00 C ATOM 456 CG1 VAL A 32 4.655 -2.292 -0.505 1.00 0.00 C ATOM 457 CG2 VAL A 32 2.963 -4.162 -0.521 1.00 0.00 C ATOM 0 H VAL A 32 6.872 -3.516 1.005 1.00 0.00 H new ATOM 0 HA VAL A 32 4.366 -4.692 1.903 1.00 0.00 H new ATOM 0 HB VAL A 32 3.329 -2.808 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.928 -1.663 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.278 -1.674 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.282 -2.795 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.268 -3.496 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.533 -4.729 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.405 -4.850 0.114 1.00 0.00 H new ATOM 467 N HIS A 33 4.718 -6.507 0.178 1.00 0.00 N ATOM 468 CA HIS A 33 5.116 -7.662 -0.611 1.00 0.00 C ATOM 469 C HIS A 33 3.869 -8.449 -1.021 1.00 0.00 C ATOM 470 O HIS A 33 2.835 -8.302 -0.354 1.00 0.00 O ATOM 471 CB HIS A 33 6.134 -8.516 0.145 1.00 0.00 C ATOM 472 CG HIS A 33 6.705 -9.656 -0.667 1.00 0.00 C ATOM 473 ND1 HIS A 33 6.450 -10.983 -0.375 1.00 0.00 N ATOM 474 CD2 HIS A 33 7.515 -9.650 -1.763 1.00 0.00 C ATOM 475 CE1 HIS A 33 7.085 -11.736 -1.261 1.00 0.00 C ATOM 476 NE2 HIS A 33 7.745 -10.908 -2.120 1.00 0.00 N ATOM 0 H HIS A 33 3.850 -6.634 0.699 1.00 0.00 H new ATOM 0 HA HIS A 33 5.616 -7.332 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.951 -7.877 0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.660 -8.922 1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.904 -8.772 -2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.081 -12.815 -1.297 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.321 -11.206 -2.907 1.00 0.00 H new ATOM 484 N PHE A 34 3.991 -9.253 -2.090 1.00 0.00 N ATOM 485 CA PHE A 34 2.881 -10.055 -2.582 1.00 0.00 C ATOM 486 C PHE A 34 2.452 -11.042 -1.496 1.00 0.00 C ATOM 487 O PHE A 34 3.122 -11.102 -0.454 1.00 0.00 O ATOM 488 CB PHE A 34 3.319 -10.800 -3.857 1.00 0.00 C ATOM 489 CG PHE A 34 4.349 -11.899 -3.628 1.00 0.00 C ATOM 490 CD1 PHE A 34 3.976 -13.093 -2.970 1.00 0.00 C ATOM 491 CD2 PHE A 34 5.680 -11.735 -4.079 1.00 0.00 C ATOM 492 CE1 PHE A 34 4.927 -14.115 -2.760 1.00 0.00 C ATOM 493 CE2 PHE A 34 6.630 -12.758 -3.869 1.00 0.00 C ATOM 494 CZ PHE A 34 6.254 -13.948 -3.210 1.00 0.00 C ATOM 0 H PHE A 34 4.853 -9.358 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 34 2.033 -9.415 -2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.438 -11.238 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.729 -10.077 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.960 -13.224 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.970 -10.826 -4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.639 -15.025 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.646 -12.630 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.981 -14.730 -3.050 1.00 0.00 H new ATOM 504 N SER A 35 1.361 -11.785 -1.754 1.00 0.00 N ATOM 505 CA SER A 35 0.851 -12.761 -0.806 1.00 0.00 C ATOM 506 C SER A 35 -0.250 -12.115 0.039 1.00 0.00 C ATOM 507 O SER A 35 -1.240 -12.796 0.338 1.00 0.00 O ATOM 508 CB SER A 35 1.963 -13.303 0.094 1.00 0.00 C ATOM 509 OG SER A 35 1.655 -14.598 0.601 1.00 0.00 O ATOM 0 H SER A 35 0.822 -11.719 -2.617 1.00 0.00 H new ATOM 0 HA SER A 35 0.442 -13.604 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.896 -13.346 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.123 -12.617 0.926 1.00 0.00 H new ATOM 0 HG SER A 35 2.390 -14.910 1.169 1.00 0.00 H new ATOM 515 N ALA A 36 -0.056 -10.834 0.402 1.00 0.00 N ATOM 516 CA ALA A 36 -1.025 -10.107 1.205 1.00 0.00 C ATOM 517 C ALA A 36 -1.799 -9.138 0.309 1.00 0.00 C ATOM 518 O ALA A 36 -2.475 -8.250 0.847 1.00 0.00 O ATOM 519 CB ALA A 36 -0.294 -9.245 2.237 1.00 0.00 C ATOM 0 H ALA A 36 0.768 -10.290 0.146 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.686 -10.828 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.022 -8.701 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.306 -9.884 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.356 -8.536 1.724 1.00 0.00 H new ATOM 525 N ILE A 37 -1.687 -9.325 -1.019 1.00 0.00 N ATOM 526 CA ILE A 37 -2.370 -8.475 -1.977 1.00 0.00 C ATOM 527 C ILE A 37 -3.718 -9.101 -2.339 1.00 0.00 C ATOM 528 O ILE A 37 -3.930 -9.404 -3.522 1.00 0.00 O ATOM 529 CB ILE A 37 -1.476 -8.201 -3.187 1.00 0.00 C ATOM 530 CG1 ILE A 37 -1.093 -9.504 -3.892 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.245 -7.386 -2.786 1.00 0.00 C ATOM 532 CD1 ILE A 37 -1.563 -9.499 -5.348 1.00 0.00 C ATOM 0 H ILE A 37 -1.125 -10.064 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.578 -7.500 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.042 -7.602 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.012 -9.637 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.536 -10.350 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.374 -7.205 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.562 -6.433 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.331 -7.939 -2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.278 -10.436 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.647 -9.390 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.099 -8.667 -5.877 1.00 0.00 H new ATOM 544 N GLN A 38 -4.589 -9.284 -1.329 1.00 0.00 N ATOM 545 CA GLN A 38 -5.901 -9.869 -1.540 1.00 0.00 C ATOM 546 C GLN A 38 -6.507 -9.302 -2.825 1.00 0.00 C ATOM 547 O GLN A 38 -7.103 -8.217 -2.767 1.00 0.00 O ATOM 548 CB GLN A 38 -6.824 -9.626 -0.344 1.00 0.00 C ATOM 549 CG GLN A 38 -6.421 -10.500 0.846 1.00 0.00 C ATOM 550 CD GLN A 38 -5.098 -10.028 1.451 1.00 0.00 C ATOM 551 OE1 GLN A 38 -4.236 -10.810 1.812 1.00 0.00 O ATOM 552 NE2 GLN A 38 -4.987 -8.705 1.540 1.00 0.00 N ATOM 0 H GLN A 38 -4.395 -9.030 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.790 -10.949 -1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.785 -8.575 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.855 -9.842 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.203 -10.470 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.328 -11.537 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.748 -8.107 1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.141 -8.289 1.930 1.00 0.00 H new ATOM 561 N ASN A 39 -6.348 -10.035 -3.942 1.00 0.00 N ATOM 562 CA ASN A 39 -6.875 -9.607 -5.226 1.00 0.00 C ATOM 563 C ASN A 39 -7.131 -10.834 -6.103 1.00 0.00 C ATOM 564 O ASN A 39 -6.763 -10.803 -7.285 1.00 0.00 O ATOM 565 CB ASN A 39 -5.881 -8.702 -5.957 1.00 0.00 C ATOM 566 CG ASN A 39 -6.604 -7.761 -6.923 1.00 0.00 C ATOM 567 OD1 ASN A 39 -6.824 -8.069 -8.083 1.00 0.00 O ATOM 568 ND2 ASN A 39 -6.959 -6.600 -6.382 1.00 0.00 N ATOM 0 H ASN A 39 -5.855 -10.928 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.797 -9.055 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.314 -8.119 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.164 -9.312 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.447 -5.903 -6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.744 -6.406 -5.404 1.00 0.00 H new ATOM 575 N ASP A 40 -7.746 -11.878 -5.514 1.00 0.00 N ATOM 576 CA ASP A 40 -8.046 -13.101 -6.237 1.00 0.00 C ATOM 577 C ASP A 40 -6.743 -13.717 -6.752 1.00 0.00 C ATOM 578 O ASP A 40 -6.093 -14.447 -5.990 1.00 0.00 O ATOM 579 CB ASP A 40 -8.947 -12.824 -7.442 1.00 0.00 C ATOM 580 CG ASP A 40 -9.328 -14.058 -8.262 1.00 0.00 C ATOM 581 OD1 ASP A 40 -10.188 -14.841 -7.702 1.00 0.00 O ATOM 582 OD2 ASP A 40 -8.830 -14.261 -9.379 1.00 0.00 O ATOM 0 H ASP A 40 -8.040 -11.886 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.558 -13.779 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.860 -12.344 -7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.444 -12.112 -8.097 1.00 0.00 H new ATOM 587 N GLY A 41 -6.393 -13.416 -8.015 1.00 0.00 N ATOM 588 CA GLY A 41 -5.180 -13.935 -8.624 1.00 0.00 C ATOM 589 C GLY A 41 -4.375 -12.777 -9.216 1.00 0.00 C ATOM 590 O GLY A 41 -3.556 -12.195 -8.489 1.00 0.00 O ATOM 0 H GLY A 41 -6.943 -12.813 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.584 -14.464 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.430 -14.655 -9.403 1.00 0.00 H new ATOM 594 N TYR A 42 -4.620 -12.470 -10.503 1.00 0.00 N ATOM 595 CA TYR A 42 -3.886 -11.381 -11.127 1.00 0.00 C ATOM 596 C TYR A 42 -2.492 -11.289 -10.503 1.00 0.00 C ATOM 597 O TYR A 42 -2.123 -10.192 -10.061 1.00 0.00 O ATOM 598 CB TYR A 42 -4.668 -10.063 -10.981 1.00 0.00 C ATOM 599 CG TYR A 42 -4.443 -9.069 -12.112 1.00 0.00 C ATOM 600 CD1 TYR A 42 -4.415 -9.507 -13.455 1.00 0.00 C ATOM 601 CD2 TYR A 42 -4.257 -7.698 -11.820 1.00 0.00 C ATOM 602 CE1 TYR A 42 -4.203 -8.582 -14.499 1.00 0.00 C ATOM 603 CE2 TYR A 42 -4.046 -6.772 -12.865 1.00 0.00 C ATOM 604 CZ TYR A 42 -4.020 -7.213 -14.205 1.00 0.00 C ATOM 605 OH TYR A 42 -3.817 -6.313 -15.212 1.00 0.00 O ATOM 0 H TYR A 42 -5.295 -12.945 -11.102 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.770 -11.573 -12.194 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.732 -10.291 -10.920 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.389 -9.592 -10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.556 -10.553 -13.683 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.276 -7.358 -10.795 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.181 -8.921 -15.524 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.904 -5.726 -12.638 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.711 -5.416 -14.832 1.00 0.00 H new ATOM 615 N LYS A 43 -1.764 -12.419 -10.468 1.00 0.00 N ATOM 616 CA LYS A 43 -0.429 -12.457 -9.891 1.00 0.00 C ATOM 617 C LYS A 43 0.346 -11.215 -10.328 1.00 0.00 C ATOM 618 O LYS A 43 0.222 -10.823 -11.499 1.00 0.00 O ATOM 619 CB LYS A 43 0.268 -13.773 -10.242 1.00 0.00 C ATOM 620 CG LYS A 43 0.339 -14.698 -9.026 1.00 0.00 C ATOM 621 CD LYS A 43 -1.060 -14.992 -8.478 1.00 0.00 C ATOM 622 CE LYS A 43 -1.822 -15.944 -9.402 1.00 0.00 C ATOM 623 NZ LYS A 43 -2.137 -17.200 -8.702 1.00 0.00 N ATOM 0 H LYS A 43 -2.087 -13.314 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.483 -12.432 -8.803 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.270 -14.269 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.274 -13.569 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.829 -15.632 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.948 -14.237 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.980 -15.431 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.616 -14.060 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.742 -15.470 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.225 -16.155 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.654 -17.835 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.255 -17.659 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.725 -16.995 -7.869 1.00 0.00 H new ATOM 637 N SER A 44 1.119 -10.627 -9.397 1.00 0.00 N ATOM 638 CA SER A 44 1.907 -9.441 -9.685 1.00 0.00 C ATOM 639 C SER A 44 0.999 -8.209 -9.645 1.00 0.00 C ATOM 640 O SER A 44 0.063 -8.140 -10.455 1.00 0.00 O ATOM 641 CB SER A 44 2.599 -9.546 -11.044 1.00 0.00 C ATOM 642 OG SER A 44 2.776 -10.899 -11.452 1.00 0.00 O ATOM 0 H SER A 44 1.207 -10.965 -8.439 1.00 0.00 H new ATOM 0 HA SER A 44 2.685 -9.349 -8.927 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.010 -9.016 -11.792 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.570 -9.053 -10.995 1.00 0.00 H new ATOM 0 HG SER A 44 1.982 -11.200 -11.941 1.00 0.00 H new ATOM 648 N LEU A 45 1.289 -7.279 -8.717 1.00 0.00 N ATOM 649 CA LEU A 45 0.504 -6.064 -8.576 1.00 0.00 C ATOM 650 C LEU A 45 1.441 -4.888 -8.288 1.00 0.00 C ATOM 651 O LEU A 45 2.662 -5.067 -8.396 1.00 0.00 O ATOM 652 CB LEU A 45 -0.589 -6.252 -7.522 1.00 0.00 C ATOM 653 CG LEU A 45 -1.936 -5.593 -7.826 1.00 0.00 C ATOM 654 CD1 LEU A 45 -2.245 -4.484 -6.820 1.00 0.00 C ATOM 655 CD2 LEU A 45 -1.984 -5.087 -9.270 1.00 0.00 C ATOM 0 H LEU A 45 2.064 -7.356 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.018 -5.837 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.753 -7.321 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.222 -5.861 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.716 -6.347 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.208 -4.033 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.282 -4.904 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.466 -3.723 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.952 -4.623 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.193 -4.353 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.842 -5.924 -9.954 1.00 0.00 H new ATOM 667 N ASP A 46 0.858 -3.729 -7.931 1.00 0.00 N ATOM 668 CA ASP A 46 1.636 -2.538 -7.632 1.00 0.00 C ATOM 669 C ASP A 46 1.961 -1.806 -8.935 1.00 0.00 C ATOM 670 O ASP A 46 1.952 -2.452 -9.992 1.00 0.00 O ATOM 671 CB ASP A 46 2.956 -2.899 -6.949 1.00 0.00 C ATOM 672 CG ASP A 46 3.390 -1.946 -5.834 1.00 0.00 C ATOM 673 OD1 ASP A 46 3.180 -0.695 -6.073 1.00 0.00 O ATOM 674 OD2 ASP A 46 3.900 -2.376 -4.788 1.00 0.00 O ATOM 0 H ASP A 46 -0.151 -3.604 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 46 1.046 -1.909 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.870 -3.904 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.741 -2.932 -7.704 1.00 0.00 H new ATOM 679 N GLU A 47 2.239 -0.494 -8.834 1.00 0.00 N ATOM 680 CA GLU A 47 2.565 0.315 -9.996 1.00 0.00 C ATOM 681 C GLU A 47 1.856 1.666 -9.887 1.00 0.00 C ATOM 682 O GLU A 47 1.932 2.451 -10.844 1.00 0.00 O ATOM 683 CB GLU A 47 2.193 -0.396 -11.299 1.00 0.00 C ATOM 684 CG GLU A 47 2.279 0.560 -12.491 1.00 0.00 C ATOM 685 CD GLU A 47 2.484 -0.208 -13.797 1.00 0.00 C ATOM 686 OE1 GLU A 47 3.457 -1.055 -13.784 1.00 0.00 O ATOM 687 OE2 GLU A 47 1.741 0.007 -14.767 1.00 0.00 O ATOM 0 H GLU A 47 2.241 0.019 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 47 3.643 0.475 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.861 -1.243 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.182 -0.797 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.366 1.152 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.103 1.258 -12.343 1.00 0.00 H new ATOM 694 N GLY A 48 1.191 1.907 -8.742 1.00 0.00 N ATOM 695 CA GLY A 48 0.477 3.151 -8.514 1.00 0.00 C ATOM 696 C GLY A 48 -1.015 2.854 -8.348 1.00 0.00 C ATOM 697 O GLY A 48 -1.826 3.521 -9.008 1.00 0.00 O ATOM 0 H GLY A 48 1.141 1.247 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.862 3.647 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.633 3.832 -9.351 1.00 0.00 H new ATOM 701 N GLN A 49 -1.343 1.876 -7.485 1.00 0.00 N ATOM 702 CA GLN A 49 -2.724 1.497 -7.237 1.00 0.00 C ATOM 703 C GLN A 49 -3.149 2.009 -5.860 1.00 0.00 C ATOM 704 O GLN A 49 -2.265 2.312 -5.045 1.00 0.00 O ATOM 705 CB GLN A 49 -2.919 -0.016 -7.345 1.00 0.00 C ATOM 706 CG GLN A 49 -2.592 -0.513 -8.755 1.00 0.00 C ATOM 707 CD GLN A 49 -3.591 -1.579 -9.207 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.766 -1.845 -10.384 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.235 -2.175 -8.206 1.00 0.00 N ATOM 0 H GLN A 49 -0.660 1.339 -6.951 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.355 1.953 -8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.280 -0.521 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.949 -0.272 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.608 0.325 -9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.583 -0.924 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.041 -1.905 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.923 -2.902 -8.403 1.00 0.00 H new ATOM 718 N LYS A 50 -4.471 2.093 -5.630 1.00 0.00 N ATOM 719 CA LYS A 50 -5.006 2.563 -4.364 1.00 0.00 C ATOM 720 C LYS A 50 -5.606 1.383 -3.599 1.00 0.00 C ATOM 721 O LYS A 50 -6.667 0.891 -4.011 1.00 0.00 O ATOM 722 CB LYS A 50 -5.987 3.715 -4.591 1.00 0.00 C ATOM 723 CG LYS A 50 -6.178 4.532 -3.312 1.00 0.00 C ATOM 724 CD LYS A 50 -5.848 6.006 -3.549 1.00 0.00 C ATOM 725 CE LYS A 50 -7.001 6.720 -4.256 1.00 0.00 C ATOM 726 NZ LYS A 50 -7.278 6.089 -5.557 1.00 0.00 N ATOM 0 H LYS A 50 -5.182 1.838 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.210 2.973 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.617 4.361 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.948 3.320 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.207 4.437 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.539 4.135 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.643 6.494 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.942 6.087 -4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.894 6.687 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.751 7.771 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.915 6.698 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.386 5.958 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.729 5.164 -5.405 1.00 0.00 H new ATOM 740 N VAL A 51 -4.930 0.958 -2.517 1.00 0.00 N ATOM 741 CA VAL A 51 -5.395 -0.153 -1.704 1.00 0.00 C ATOM 742 C VAL A 51 -5.479 0.290 -0.242 1.00 0.00 C ATOM 743 O VAL A 51 -5.391 1.500 0.014 1.00 0.00 O ATOM 744 CB VAL A 51 -4.487 -1.367 -1.910 1.00 0.00 C ATOM 745 CG1 VAL A 51 -4.074 -1.501 -3.377 1.00 0.00 C ATOM 746 CG2 VAL A 51 -3.260 -1.294 -1.000 1.00 0.00 C ATOM 0 H VAL A 51 -4.058 1.376 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.396 -0.457 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.053 -2.258 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.429 -2.372 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.963 -1.621 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.535 -0.606 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.631 -2.169 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.693 -0.391 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.580 -1.270 0.042 1.00 0.00 H new ATOM 756 N SER A 52 -5.644 -0.681 0.673 1.00 0.00 N ATOM 757 CA SER A 52 -5.739 -0.395 2.095 1.00 0.00 C ATOM 758 C SER A 52 -4.673 -1.195 2.843 1.00 0.00 C ATOM 759 O SER A 52 -3.942 -1.957 2.194 1.00 0.00 O ATOM 760 CB SER A 52 -7.131 -0.722 2.640 1.00 0.00 C ATOM 761 OG SER A 52 -8.035 0.368 2.483 1.00 0.00 O ATOM 0 H SER A 52 -5.713 -1.672 0.441 1.00 0.00 H new ATOM 0 HA SER A 52 -5.571 0.671 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.526 -1.598 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.055 -0.981 3.696 1.00 0.00 H new ATOM 0 HG SER A 52 -8.912 0.120 2.842 1.00 0.00 H new ATOM 767 N PHE A 53 -4.605 -1.010 4.174 1.00 0.00 N ATOM 768 CA PHE A 53 -3.637 -1.710 5.001 1.00 0.00 C ATOM 769 C PHE A 53 -4.023 -1.553 6.473 1.00 0.00 C ATOM 770 O PHE A 53 -5.059 -0.932 6.750 1.00 0.00 O ATOM 771 CB PHE A 53 -2.233 -1.131 4.739 1.00 0.00 C ATOM 772 CG PHE A 53 -2.090 0.353 5.052 1.00 0.00 C ATOM 773 CD1 PHE A 53 -2.233 0.819 6.379 1.00 0.00 C ATOM 774 CD2 PHE A 53 -1.816 1.273 4.013 1.00 0.00 C ATOM 775 CE1 PHE A 53 -2.103 2.196 6.665 1.00 0.00 C ATOM 776 CE2 PHE A 53 -1.687 2.648 4.299 1.00 0.00 C ATOM 777 CZ PHE A 53 -1.829 3.110 5.625 1.00 0.00 C ATOM 0 H PHE A 53 -5.216 -0.377 4.690 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.629 -2.772 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.509 -1.686 5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.977 -1.294 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.442 0.121 7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.705 0.921 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.213 2.550 7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.479 3.348 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.728 4.163 5.844 1.00 0.00 H new ATOM 787 N THR A 54 -3.195 -2.111 7.375 1.00 0.00 N ATOM 788 CA THR A 54 -3.448 -2.033 8.804 1.00 0.00 C ATOM 789 C THR A 54 -2.129 -1.784 9.538 1.00 0.00 C ATOM 790 O THR A 54 -1.509 -2.760 9.985 1.00 0.00 O ATOM 791 CB THR A 54 -4.156 -3.315 9.246 1.00 0.00 C ATOM 792 OG1 THR A 54 -4.032 -3.310 10.664 1.00 0.00 O ATOM 793 CG2 THR A 54 -3.409 -4.577 8.810 1.00 0.00 C ATOM 0 H THR A 54 -2.346 -2.619 7.127 1.00 0.00 H new ATOM 0 HA THR A 54 -4.105 -1.198 9.050 1.00 0.00 H new ATOM 0 HB THR A 54 -5.166 -3.331 8.835 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.466 -4.107 11.033 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.954 -5.458 9.149 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.330 -4.596 7.723 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.410 -4.578 9.247 1.00 0.00 H new ATOM 801 N ILE A 55 -1.731 -0.504 9.646 1.00 0.00 N ATOM 802 CA ILE A 55 -0.498 -0.133 10.320 1.00 0.00 C ATOM 803 C ILE A 55 -0.312 -1.018 11.554 1.00 0.00 C ATOM 804 O ILE A 55 -1.042 -0.821 12.537 1.00 0.00 O ATOM 805 CB ILE A 55 -0.485 1.364 10.629 1.00 0.00 C ATOM 806 CG1 ILE A 55 -0.121 2.178 9.386 1.00 0.00 C ATOM 807 CG2 ILE A 55 0.441 1.673 11.808 1.00 0.00 C ATOM 808 CD1 ILE A 55 -0.569 3.634 9.532 1.00 0.00 C ATOM 0 H ILE A 55 -2.256 0.286 9.270 1.00 0.00 H new ATOM 0 HA ILE A 55 0.359 -0.307 9.670 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.492 1.660 10.924 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.956 2.140 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.591 1.736 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.432 2.745 12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.096 1.137 12.692 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.456 1.358 11.566 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.298 4.190 8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.650 3.670 9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.079 4.080 10.397 1.00 0.00 H new ATOM 820 N GLU A 56 0.646 -1.960 11.481 1.00 0.00 N ATOM 821 CA GLU A 56 0.923 -2.865 12.584 1.00 0.00 C ATOM 822 C GLU A 56 2.408 -2.788 12.938 1.00 0.00 C ATOM 823 O GLU A 56 3.096 -1.900 12.415 1.00 0.00 O ATOM 824 CB GLU A 56 0.510 -4.301 12.252 1.00 0.00 C ATOM 825 CG GLU A 56 -0.708 -4.725 13.073 1.00 0.00 C ATOM 826 CD GLU A 56 -0.594 -6.188 13.507 1.00 0.00 C ATOM 827 OE1 GLU A 56 0.477 -6.618 13.961 1.00 0.00 O ATOM 828 OE2 GLU A 56 -1.669 -6.886 13.359 1.00 0.00 O ATOM 0 H GLU A 56 1.237 -2.105 10.662 1.00 0.00 H new ATOM 0 HA GLU A 56 0.331 -2.558 13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.282 -4.381 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.341 -4.978 12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.798 -4.087 13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.614 -4.586 12.484 1.00 0.00 H new ATOM 835 N SER A 57 2.869 -3.707 13.806 1.00 0.00 N ATOM 836 CA SER A 57 4.260 -3.744 14.224 1.00 0.00 C ATOM 837 C SER A 57 4.771 -5.185 14.158 1.00 0.00 C ATOM 838 O SER A 57 4.134 -6.063 14.757 1.00 0.00 O ATOM 839 CB SER A 57 4.435 -3.183 15.637 1.00 0.00 C ATOM 840 OG SER A 57 3.765 -3.976 16.613 1.00 0.00 O ATOM 0 H SER A 57 2.287 -4.431 14.226 1.00 0.00 H new ATOM 0 HA SER A 57 4.841 -3.117 13.548 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.497 -3.132 15.878 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.051 -2.164 15.672 1.00 0.00 H new ATOM 0 HG SER A 57 3.758 -4.913 16.325 1.00 0.00 H new ATOM 846 N GLY A 58 5.890 -5.395 13.446 1.00 0.00 N ATOM 847 CA GLY A 58 6.478 -6.716 13.304 1.00 0.00 C ATOM 848 C GLY A 58 7.616 -6.873 14.315 1.00 0.00 C ATOM 849 O GLY A 58 7.351 -7.340 15.433 1.00 0.00 O ATOM 0 H GLY A 58 6.400 -4.656 12.962 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.721 -7.483 13.468 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.855 -6.852 12.290 1.00 0.00 H new ATOM 853 N ALA A 59 8.839 -6.489 13.909 1.00 0.00 N ATOM 854 CA ALA A 59 10.003 -6.587 14.774 1.00 0.00 C ATOM 855 C ALA A 59 10.451 -5.182 15.181 1.00 0.00 C ATOM 856 O ALA A 59 10.153 -4.773 16.313 1.00 0.00 O ATOM 857 CB ALA A 59 11.170 -7.201 13.998 1.00 0.00 C ATOM 0 H ALA A 59 9.036 -6.109 12.983 1.00 0.00 H new ATOM 0 HA ALA A 59 9.739 -7.193 15.641 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.042 -7.273 14.649 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.893 -8.196 13.651 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.408 -6.571 13.141 1.00 0.00 H new ATOM 863 N LYS A 60 11.144 -4.483 14.265 1.00 0.00 N ATOM 864 CA LYS A 60 11.628 -3.137 14.528 1.00 0.00 C ATOM 865 C LYS A 60 11.241 -2.225 13.363 1.00 0.00 C ATOM 866 O LYS A 60 12.117 -1.913 12.542 1.00 0.00 O ATOM 867 CB LYS A 60 13.128 -3.155 14.824 1.00 0.00 C ATOM 868 CG LYS A 60 13.834 -4.246 14.018 1.00 0.00 C ATOM 869 CD LYS A 60 15.339 -3.982 13.935 1.00 0.00 C ATOM 870 CE LYS A 60 16.135 -5.258 14.217 1.00 0.00 C ATOM 871 NZ LYS A 60 15.868 -5.742 15.581 1.00 0.00 N ATOM 0 H LYS A 60 11.376 -4.838 13.337 1.00 0.00 H new ATOM 0 HA LYS A 60 11.156 -2.730 15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.561 -2.184 14.585 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.290 -3.323 15.889 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.657 -5.217 14.481 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.413 -4.290 13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.591 -3.603 12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.617 -3.210 14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.868 -6.028 13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.201 -5.063 14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.713 -6.223 15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.632 -4.937 16.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.070 -6.409 15.563 1.00 0.00 H new ATOM 885 N GLY A 61 9.958 -1.822 13.313 1.00 0.00 N ATOM 886 CA GLY A 61 9.465 -0.954 12.257 1.00 0.00 C ATOM 887 C GLY A 61 8.015 -1.323 11.937 1.00 0.00 C ATOM 888 O GLY A 61 7.603 -2.444 12.270 1.00 0.00 O ATOM 0 H GLY A 61 9.252 -2.091 13.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.527 0.089 12.569 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.084 -1.058 11.366 1.00 0.00 H new ATOM 892 N PRO A 62 7.280 -0.388 11.306 1.00 0.00 N ATOM 893 CA PRO A 62 5.890 -0.580 10.932 1.00 0.00 C ATOM 894 C PRO A 62 5.771 -1.499 9.715 1.00 0.00 C ATOM 895 O PRO A 62 6.779 -1.686 9.017 1.00 0.00 O ATOM 896 CB PRO A 62 5.357 0.821 10.671 1.00 0.00 C ATOM 897 CG PRO A 62 6.579 1.700 10.458 1.00 0.00 C ATOM 898 CD PRO A 62 7.798 0.924 10.930 1.00 0.00 C ATOM 0 HA PRO A 62 5.310 -1.076 11.710 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.709 0.835 9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.763 1.176 11.513 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.679 1.966 9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.481 2.632 11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.546 0.843 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.278 1.417 11.775 1.00 0.00 H new ATOM 906 N ALA A 63 4.565 -2.046 9.489 1.00 0.00 N ATOM 907 CA ALA A 63 4.320 -2.937 8.367 1.00 0.00 C ATOM 908 C ALA A 63 2.844 -2.861 7.973 1.00 0.00 C ATOM 909 O ALA A 63 2.008 -2.631 8.858 1.00 0.00 O ATOM 910 CB ALA A 63 4.577 -4.384 8.794 1.00 0.00 C ATOM 0 H ALA A 63 3.748 -1.879 10.077 1.00 0.00 H new ATOM 0 HA ALA A 63 4.972 -2.644 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.393 -5.050 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.612 -4.489 9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.910 -4.645 9.615 1.00 0.00 H new ATOM 916 N ALA A 64 2.558 -3.054 6.672 1.00 0.00 N ATOM 917 CA ALA A 64 1.196 -3.006 6.169 1.00 0.00 C ATOM 918 C ALA A 64 0.678 -4.434 5.977 1.00 0.00 C ATOM 919 O ALA A 64 1.250 -5.162 5.152 1.00 0.00 O ATOM 920 CB ALA A 64 1.180 -2.354 4.785 1.00 0.00 C ATOM 0 H ALA A 64 3.262 -3.244 5.959 1.00 0.00 H new ATOM 0 HA ALA A 64 0.586 -2.447 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.157 -2.320 4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.575 -1.340 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.797 -2.937 4.101 1.00 0.00 H new ATOM 926 N GLY A 65 -0.375 -4.799 6.727 1.00 0.00 N ATOM 927 CA GLY A 65 -0.961 -6.126 6.640 1.00 0.00 C ATOM 928 C GLY A 65 -2.360 -6.021 6.029 1.00 0.00 C ATOM 929 O GLY A 65 -2.857 -4.895 5.883 1.00 0.00 O ATOM 0 H GLY A 65 -0.832 -4.183 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.333 -6.774 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.017 -6.577 7.631 1.00 0.00 H new ATOM 933 N ASN A 66 -2.956 -7.177 5.687 1.00 0.00 N ATOM 934 CA ASN A 66 -4.284 -7.215 5.098 1.00 0.00 C ATOM 935 C ASN A 66 -4.397 -6.118 4.038 1.00 0.00 C ATOM 936 O ASN A 66 -5.286 -5.263 4.168 1.00 0.00 O ATOM 937 CB ASN A 66 -5.362 -6.967 6.154 1.00 0.00 C ATOM 938 CG ASN A 66 -5.641 -8.237 6.961 1.00 0.00 C ATOM 939 OD1 ASN A 66 -5.746 -9.330 6.430 1.00 0.00 O ATOM 940 ND2 ASN A 66 -5.756 -8.030 8.270 1.00 0.00 N ATOM 0 H ASN A 66 -2.528 -8.094 5.813 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.431 -8.202 4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.043 -6.169 6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.279 -6.630 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.944 -8.813 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.657 -7.088 8.648 1.00 0.00 H new ATOM 947 N VAL A 67 -3.511 -6.161 3.027 1.00 0.00 N ATOM 948 CA VAL A 67 -3.513 -5.178 1.958 1.00 0.00 C ATOM 949 C VAL A 67 -4.514 -5.602 0.883 1.00 0.00 C ATOM 950 O VAL A 67 -4.169 -6.464 0.062 1.00 0.00 O ATOM 951 CB VAL A 67 -2.094 -4.992 1.415 1.00 0.00 C ATOM 952 CG1 VAL A 67 -1.740 -3.508 1.301 1.00 0.00 C ATOM 953 CG2 VAL A 67 -1.074 -5.735 2.280 1.00 0.00 C ATOM 0 H VAL A 67 -2.787 -6.874 2.939 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.832 -4.206 2.334 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.060 -5.422 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.727 -3.404 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.440 -3.018 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.801 -3.043 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.074 -5.586 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.111 -5.349 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.309 -6.799 2.286 1.00 0.00 H new ATOM 963 N THR A 68 -5.717 -4.997 0.908 1.00 0.00 N ATOM 964 CA THR A 68 -6.755 -5.311 -0.059 1.00 0.00 C ATOM 965 C THR A 68 -6.895 -4.151 -1.046 1.00 0.00 C ATOM 966 O THR A 68 -6.880 -2.993 -0.602 1.00 0.00 O ATOM 967 CB THR A 68 -8.048 -5.624 0.697 1.00 0.00 C ATOM 968 OG1 THR A 68 -9.071 -5.450 -0.278 1.00 0.00 O ATOM 969 CG2 THR A 68 -8.369 -4.577 1.766 1.00 0.00 C ATOM 0 H THR A 68 -5.982 -4.289 1.593 1.00 0.00 H new ATOM 0 HA THR A 68 -6.501 -6.192 -0.648 1.00 0.00 H new ATOM 0 HB THR A 68 -7.967 -6.606 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.944 -5.635 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.296 -4.846 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.557 -4.537 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.483 -3.600 1.296 1.00 0.00 H new ATOM 977 N SER A 69 -7.025 -4.476 -2.345 1.00 0.00 N ATOM 978 CA SER A 69 -7.164 -3.468 -3.382 1.00 0.00 C ATOM 979 C SER A 69 -8.166 -2.405 -2.921 1.00 0.00 C ATOM 980 O SER A 69 -8.943 -2.689 -1.999 1.00 0.00 O ATOM 981 CB SER A 69 -7.618 -4.086 -4.706 1.00 0.00 C ATOM 982 OG SER A 69 -8.556 -5.140 -4.510 1.00 0.00 O ATOM 0 H SER A 69 -7.035 -5.436 -2.690 1.00 0.00 H new ATOM 0 HA SER A 69 -6.190 -3.008 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.066 -3.314 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.750 -4.468 -5.244 1.00 0.00 H new ATOM 0 HG SER A 69 -9.056 -5.291 -5.339 1.00 0.00 H new ATOM 988 N LEU A 70 -8.127 -1.224 -3.563 1.00 0.00 N ATOM 989 CA LEU A 70 -9.024 -0.133 -3.222 1.00 0.00 C ATOM 990 C LEU A 70 -8.628 0.439 -1.860 1.00 0.00 C ATOM 991 O LEU A 70 -8.692 1.651 -1.651 1.00 0.00 O ATOM 992 CB LEU A 70 -10.480 -0.594 -3.295 1.00 0.00 C ATOM 993 CG LEU A 70 -11.195 -0.779 -1.954 1.00 0.00 C ATOM 994 CD1 LEU A 70 -11.721 0.556 -1.425 1.00 0.00 C ATOM 995 CD2 LEU A 70 -12.302 -1.830 -2.063 1.00 0.00 C ATOM 0 H LEU A 70 -7.478 -1.012 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.933 0.676 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.040 0.131 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.514 -1.540 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.471 -1.149 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.225 0.397 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.888 1.245 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.426 0.979 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.794 -1.942 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.032 -1.513 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.869 -2.785 -2.363 1.00 0.00 H new