USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 543 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 58 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A 43 HIS : no HD1:sc= 0 X(o=0.89,f=0.61) USER MOD Set 2.2: A 44 SER OG : rot -11:sc= 0.886 USER MOD Set 3.1: A 12 TYR OH : rot -145:sc= -0.281 USER MOD Set 3.2: A 17 ASN :FLIP amide:sc= -0.0333 F(o=-1.5,f=-0.31) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.975 (180deg=-4.33!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.12) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.788) USER MOD Single : A 13 ASN : amide:sc= 0.0623 K(o=0.062,f=-13!) USER MOD Single : A 14 SER OG : rot -33:sc= 0.599 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.981 K(o=-0.98,f=-4.4!) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.492 K(o=0.49,f=-3.5!) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.00626 (180deg=-0.155) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0537 F(o=-2.3!,f=-0.054) USER MOD Single : A 59 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.27) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 1.12 K(o=1.1,f=-1.1) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -3.91! (180deg=-4.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.149 14.523 2.762 1.00 53.13 N ATOM 2 CA MET A 1 4.680 13.683 3.867 1.00 12.04 C ATOM 3 C MET A 1 3.183 13.545 3.814 1.00 2.42 C ATOM 4 O MET A 1 2.457 14.541 3.787 1.00 42.54 O ATOM 5 CB MET A 1 5.071 14.270 5.235 1.00 21.01 C ATOM 6 CG MET A 1 6.568 14.330 5.602 1.00 14.42 C ATOM 7 SD MET A 1 7.370 12.720 5.960 1.00 63.14 S ATOM 8 CE MET A 1 7.550 11.945 4.353 1.00 32.00 C ATOM 0 H1 MET A 1 6.184 14.612 2.808 1.00 53.13 H new ATOM 0 H2 MET A 1 4.879 14.088 1.857 1.00 53.13 H new ATOM 0 H3 MET A 1 4.717 15.466 2.836 1.00 53.13 H new ATOM 0 HA MET A 1 5.155 12.709 3.755 1.00 12.04 H new ATOM 0 HB2 MET A 1 4.674 15.284 5.288 1.00 21.01 H new ATOM 0 HB3 MET A 1 4.563 13.689 6.004 1.00 21.01 H new ATOM 0 HG2 MET A 1 7.105 14.807 4.782 1.00 14.42 H new ATOM 0 HG3 MET A 1 6.683 14.973 6.474 1.00 14.42 H new ATOM 0 HE1 MET A 1 8.466 11.354 4.334 1.00 32.00 H new ATOM 0 HE2 MET A 1 6.695 11.295 4.165 1.00 32.00 H new ATOM 0 HE3 MET A 1 7.598 12.714 3.582 1.00 32.00 H new ATOM 20 N ALA A 2 2.726 12.317 3.787 1.00 11.55 N ATOM 21 CA ALA A 2 1.326 12.016 3.821 1.00 22.23 C ATOM 22 C ALA A 2 1.116 10.919 4.832 1.00 12.43 C ATOM 23 O ALA A 2 1.562 9.789 4.628 1.00 4.14 O ATOM 24 CB ALA A 2 0.834 11.589 2.448 1.00 71.30 C ATOM 0 H ALA A 2 3.326 11.494 3.740 1.00 11.55 H new ATOM 0 HA ALA A 2 0.756 12.901 4.105 1.00 22.23 H new ATOM 0 HB1 ALA A 2 -0.232 11.365 2.497 1.00 71.30 H new ATOM 0 HB2 ALA A 2 1.003 12.395 1.734 1.00 71.30 H new ATOM 0 HB3 ALA A 2 1.377 10.700 2.127 1.00 71.30 H new ATOM 30 N THR A 3 0.504 11.256 5.924 1.00 34.30 N ATOM 31 CA THR A 3 0.295 10.324 6.990 1.00 32.50 C ATOM 32 C THR A 3 -1.172 9.990 7.131 1.00 13.11 C ATOM 33 O THR A 3 -2.031 10.845 6.861 1.00 0.52 O ATOM 34 CB THR A 3 0.840 10.890 8.319 1.00 51.41 C ATOM 35 OG1 THR A 3 0.263 12.193 8.565 1.00 14.44 O ATOM 36 CG2 THR A 3 2.359 11.014 8.275 1.00 31.21 C ATOM 0 H THR A 3 0.133 12.189 6.103 1.00 34.30 H new ATOM 0 HA THR A 3 0.837 9.409 6.750 1.00 32.50 H new ATOM 0 HB THR A 3 0.568 10.204 9.121 1.00 51.41 H new ATOM 0 HG1 THR A 3 0.609 12.550 9.410 1.00 14.44 H new ATOM 0 HG21 THR A 3 2.719 11.415 9.223 1.00 31.21 H new ATOM 0 HG22 THR A 3 2.800 10.031 8.106 1.00 31.21 H new ATOM 0 HG23 THR A 3 2.646 11.684 7.465 1.00 31.21 H new ATOM 44 N ASN A 4 -1.450 8.758 7.538 1.00 54.44 N ATOM 45 CA ASN A 4 -2.816 8.260 7.733 1.00 74.00 C ATOM 46 C ASN A 4 -3.613 8.341 6.444 1.00 50.15 C ATOM 47 O ASN A 4 -4.412 9.270 6.228 1.00 44.32 O ATOM 48 CB ASN A 4 -3.550 8.995 8.880 1.00 45.20 C ATOM 49 CG ASN A 4 -2.858 8.842 10.221 1.00 45.03 C ATOM 50 OD1 ASN A 4 -1.976 9.634 10.580 1.00 43.12 O ATOM 51 ND2 ASN A 4 -3.257 7.858 10.981 1.00 4.30 N ATOM 0 H ASN A 4 -0.730 8.066 7.745 1.00 54.44 H new ATOM 0 HA ASN A 4 -2.734 7.213 8.024 1.00 74.00 H new ATOM 0 HB2 ASN A 4 -3.626 10.054 8.635 1.00 45.20 H new ATOM 0 HB3 ASN A 4 -4.568 8.612 8.957 1.00 45.20 H new ATOM 0 HD21 ASN A 4 -2.840 7.723 11.902 1.00 4.30 H new ATOM 0 HD22 ASN A 4 -3.986 7.224 10.654 1.00 4.30 H new ATOM 58 N ILE A 5 -3.337 7.433 5.557 1.00 72.01 N ATOM 59 CA ILE A 5 -3.991 7.405 4.282 1.00 41.54 C ATOM 60 C ILE A 5 -5.025 6.315 4.227 1.00 33.21 C ATOM 61 O ILE A 5 -4.873 5.261 4.834 1.00 0.35 O ATOM 62 CB ILE A 5 -2.984 7.226 3.125 1.00 72.12 C ATOM 63 CG1 ILE A 5 -1.914 8.303 3.215 1.00 1.00 C ATOM 64 CG2 ILE A 5 -3.689 7.271 1.758 1.00 41.12 C ATOM 65 CD1 ILE A 5 -0.971 8.313 2.062 1.00 45.14 C ATOM 0 H ILE A 5 -2.652 6.690 5.696 1.00 72.01 H new ATOM 0 HA ILE A 5 -4.485 8.369 4.160 1.00 41.54 H new ATOM 0 HB ILE A 5 -2.517 6.246 3.217 1.00 72.12 H new ATOM 0 HG12 ILE A 5 -2.398 9.277 3.285 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -1.347 8.162 4.135 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -2.953 7.142 0.965 1.00 41.12 H new ATOM 0 HG22 ILE A 5 -4.426 6.470 1.702 1.00 41.12 H new ATOM 0 HG23 ILE A 5 -4.188 8.233 1.637 1.00 41.12 H new ATOM 0 HD11 ILE A 5 -0.238 9.108 2.198 1.00 45.14 H new ATOM 0 HD12 ILE A 5 -0.458 7.353 2.003 1.00 45.14 H new ATOM 0 HD13 ILE A 5 -1.526 8.485 1.140 1.00 45.14 H new ATOM 77 N VAL A 6 -6.068 6.589 3.508 1.00 73.22 N ATOM 78 CA VAL A 6 -7.140 5.671 3.314 1.00 12.02 C ATOM 79 C VAL A 6 -7.076 5.100 1.929 1.00 32.45 C ATOM 80 O VAL A 6 -6.857 5.828 0.969 1.00 54.32 O ATOM 81 CB VAL A 6 -8.502 6.383 3.435 1.00 65.12 C ATOM 82 CG1 VAL A 6 -9.649 5.442 3.077 1.00 13.14 C ATOM 83 CG2 VAL A 6 -8.687 6.987 4.810 1.00 42.20 C ATOM 0 H VAL A 6 -6.198 7.480 3.029 1.00 73.22 H new ATOM 0 HA VAL A 6 -7.045 4.894 4.073 1.00 12.02 H new ATOM 0 HB VAL A 6 -8.514 7.202 2.716 1.00 65.12 H new ATOM 0 HG11 VAL A 6 -10.597 5.972 3.171 1.00 13.14 H new ATOM 0 HG12 VAL A 6 -9.528 5.095 2.051 1.00 13.14 H new ATOM 0 HG13 VAL A 6 -9.642 4.587 3.753 1.00 13.14 H new ATOM 0 HG21 VAL A 6 -9.657 7.482 4.863 1.00 42.20 H new ATOM 0 HG22 VAL A 6 -8.640 6.200 5.563 1.00 42.20 H new ATOM 0 HG23 VAL A 6 -7.898 7.715 4.997 1.00 42.20 H new ATOM 93 N GLY A 7 -7.230 3.831 1.832 1.00 2.41 N ATOM 94 CA GLY A 7 -7.431 3.231 0.568 1.00 65.11 C ATOM 95 C GLY A 7 -7.567 1.785 0.628 1.00 30.44 C ATOM 96 O GLY A 7 -7.251 1.165 1.605 1.00 63.33 O ATOM 0 H GLY A 7 -7.220 3.184 2.620 1.00 2.41 H new ATOM 0 HA2 GLY A 7 -8.326 3.654 0.112 1.00 65.11 H new ATOM 0 HA3 GLY A 7 -6.593 3.483 -0.082 1.00 65.11 H new ATOM 100 N LYS A 8 -8.066 1.265 -0.396 1.00 44.53 N ATOM 101 CA LYS A 8 -8.296 -0.112 -0.533 1.00 64.11 C ATOM 102 C LYS A 8 -7.213 -0.713 -1.387 1.00 55.42 C ATOM 103 O LYS A 8 -6.726 -0.071 -2.331 1.00 72.40 O ATOM 104 CB LYS A 8 -9.666 -0.298 -1.160 1.00 73.23 C ATOM 105 CG LYS A 8 -10.105 -1.727 -1.372 1.00 73.42 C ATOM 106 CD LYS A 8 -11.518 -1.773 -1.933 1.00 5.45 C ATOM 107 CE LYS A 8 -12.547 -1.243 -0.931 1.00 63.05 C ATOM 108 NZ LYS A 8 -13.894 -1.148 -1.524 1.00 43.23 N ATOM 0 H LYS A 8 -8.345 1.807 -1.214 1.00 44.53 H new ATOM 0 HA LYS A 8 -8.276 -0.615 0.434 1.00 64.11 H new ATOM 0 HB2 LYS A 8 -10.403 0.199 -0.529 1.00 73.23 H new ATOM 0 HB3 LYS A 8 -9.676 0.212 -2.124 1.00 73.23 H new ATOM 0 HG2 LYS A 8 -9.419 -2.226 -2.056 1.00 73.42 H new ATOM 0 HG3 LYS A 8 -10.065 -2.270 -0.428 1.00 73.42 H new ATOM 0 HD2 LYS A 8 -11.565 -1.183 -2.848 1.00 5.45 H new ATOM 0 HD3 LYS A 8 -11.769 -2.799 -2.202 1.00 5.45 H new ATOM 0 HE2 LYS A 8 -12.579 -1.900 -0.062 1.00 63.05 H new ATOM 0 HE3 LYS A 8 -12.236 -0.260 -0.577 1.00 63.05 H new ATOM 0 HZ1 LYS A 8 -14.582 -0.900 -0.785 1.00 43.23 H new ATOM 0 HZ2 LYS A 8 -13.898 -0.414 -2.261 1.00 43.23 H new ATOM 0 HZ3 LYS A 8 -14.153 -2.063 -1.945 1.00 43.23 H new ATOM 122 N VAL A 9 -6.800 -1.910 -1.032 1.00 54.35 N ATOM 123 CA VAL A 9 -5.818 -2.637 -1.783 1.00 52.35 C ATOM 124 C VAL A 9 -6.331 -2.809 -3.199 1.00 61.30 C ATOM 125 O VAL A 9 -7.313 -3.533 -3.449 1.00 41.13 O ATOM 126 CB VAL A 9 -5.490 -4.014 -1.132 1.00 73.10 C ATOM 127 CG1 VAL A 9 -4.459 -4.778 -1.952 1.00 73.24 C ATOM 128 CG2 VAL A 9 -4.974 -3.818 0.285 1.00 60.43 C ATOM 0 H VAL A 9 -7.143 -2.404 -0.208 1.00 54.35 H new ATOM 0 HA VAL A 9 -4.885 -2.074 -1.791 1.00 52.35 H new ATOM 0 HB VAL A 9 -6.410 -4.598 -1.104 1.00 73.10 H new ATOM 0 HG11 VAL A 9 -4.250 -5.735 -1.473 1.00 73.24 H new ATOM 0 HG12 VAL A 9 -4.848 -4.951 -2.955 1.00 73.24 H new ATOM 0 HG13 VAL A 9 -3.540 -4.195 -2.015 1.00 73.24 H new ATOM 0 HG21 VAL A 9 -4.749 -4.788 0.728 1.00 60.43 H new ATOM 0 HG22 VAL A 9 -4.069 -3.211 0.262 1.00 60.43 H new ATOM 0 HG23 VAL A 9 -5.734 -3.314 0.882 1.00 60.43 H new ATOM 138 N LYS A 10 -5.700 -2.090 -4.095 1.00 13.44 N ATOM 139 CA LYS A 10 -6.069 -2.039 -5.491 1.00 50.43 C ATOM 140 C LYS A 10 -5.779 -3.399 -6.109 1.00 44.32 C ATOM 141 O LYS A 10 -6.546 -3.903 -6.931 1.00 22.44 O ATOM 142 CB LYS A 10 -5.244 -0.928 -6.128 1.00 73.31 C ATOM 143 CG LYS A 10 -5.548 -0.537 -7.552 1.00 31.21 C ATOM 144 CD LYS A 10 -4.558 0.542 -7.953 1.00 41.22 C ATOM 145 CE LYS A 10 -4.750 1.060 -9.344 1.00 34.22 C ATOM 146 NZ LYS A 10 -5.985 1.847 -9.504 1.00 21.22 N ATOM 0 H LYS A 10 -4.894 -1.508 -3.868 1.00 13.44 H new ATOM 0 HA LYS A 10 -7.127 -1.825 -5.643 1.00 50.43 H new ATOM 0 HB2 LYS A 10 -5.352 -0.037 -5.509 1.00 73.31 H new ATOM 0 HB3 LYS A 10 -4.196 -1.224 -6.081 1.00 73.31 H new ATOM 0 HG2 LYS A 10 -5.462 -1.400 -8.213 1.00 31.21 H new ATOM 0 HG3 LYS A 10 -6.571 -0.170 -7.638 1.00 31.21 H new ATOM 0 HD2 LYS A 10 -4.639 1.373 -7.253 1.00 41.22 H new ATOM 0 HD3 LYS A 10 -3.547 0.145 -7.861 1.00 41.22 H new ATOM 0 HE2 LYS A 10 -3.895 1.679 -9.616 1.00 34.22 H new ATOM 0 HE3 LYS A 10 -4.769 0.220 -10.038 1.00 34.22 H new ATOM 0 HZ1 LYS A 10 -6.260 1.861 -10.507 1.00 21.22 H new ATOM 0 HZ2 LYS A 10 -6.747 1.416 -8.942 1.00 21.22 H new ATOM 0 HZ3 LYS A 10 -5.821 2.820 -9.176 1.00 21.22 H new ATOM 160 N TRP A 11 -4.661 -3.971 -5.676 1.00 3.12 N ATOM 161 CA TRP A 11 -4.230 -5.320 -5.998 1.00 3.10 C ATOM 162 C TRP A 11 -2.898 -5.561 -5.360 1.00 2.20 C ATOM 163 O TRP A 11 -2.173 -4.607 -5.051 1.00 2.12 O ATOM 164 CB TRP A 11 -4.164 -5.630 -7.512 1.00 44.44 C ATOM 165 CG TRP A 11 -3.247 -4.767 -8.335 1.00 14.04 C ATOM 166 CD1 TRP A 11 -3.558 -3.611 -8.984 1.00 10.14 C ATOM 167 CD2 TRP A 11 -1.878 -5.027 -8.611 1.00 23.35 C ATOM 168 NE1 TRP A 11 -2.450 -3.133 -9.643 1.00 63.12 N ATOM 169 CE2 TRP A 11 -1.406 -3.991 -9.425 1.00 30.11 C ATOM 170 CE3 TRP A 11 -1.012 -6.041 -8.242 1.00 14.11 C ATOM 171 CZ2 TRP A 11 -0.092 -3.944 -9.875 1.00 41.33 C ATOM 172 CZ3 TRP A 11 0.290 -5.996 -8.685 1.00 13.53 C ATOM 173 CH2 TRP A 11 0.737 -4.956 -9.493 1.00 75.33 C ATOM 0 H TRP A 11 -4.005 -3.484 -5.065 1.00 3.12 H new ATOM 0 HA TRP A 11 -4.988 -5.996 -5.604 1.00 3.10 H new ATOM 0 HB2 TRP A 11 -3.856 -6.668 -7.634 1.00 44.44 H new ATOM 0 HB3 TRP A 11 -5.171 -5.546 -7.922 1.00 44.44 H new ATOM 0 HD1 TRP A 11 -4.530 -3.140 -8.981 1.00 10.14 H new ATOM 0 HE1 TRP A 11 -2.412 -2.280 -10.202 1.00 63.12 H new ATOM 0 HE3 TRP A 11 -1.352 -6.854 -7.617 1.00 14.11 H new ATOM 0 HZ2 TRP A 11 0.258 -3.138 -10.502 1.00 41.33 H new ATOM 0 HZ3 TRP A 11 0.976 -6.781 -8.401 1.00 13.53 H new ATOM 0 HH2 TRP A 11 1.765 -4.950 -9.825 1.00 75.33 H new ATOM 184 N TYR A 12 -2.573 -6.797 -5.154 1.00 23.12 N ATOM 185 CA TYR A 12 -1.308 -7.156 -4.571 1.00 45.11 C ATOM 186 C TYR A 12 -0.807 -8.465 -5.151 1.00 5.23 C ATOM 187 O TYR A 12 -1.461 -9.507 -5.043 1.00 51.23 O ATOM 188 CB TYR A 12 -1.395 -7.239 -3.033 1.00 22.11 C ATOM 189 CG TYR A 12 -0.061 -7.531 -2.362 1.00 21.41 C ATOM 190 CD1 TYR A 12 0.888 -6.532 -2.209 1.00 63.10 C ATOM 191 CD2 TYR A 12 0.250 -8.801 -1.896 1.00 45.41 C ATOM 192 CE1 TYR A 12 2.107 -6.785 -1.614 1.00 54.11 C ATOM 193 CE2 TYR A 12 1.470 -9.065 -1.299 1.00 14.31 C ATOM 194 CZ TYR A 12 2.393 -8.053 -1.160 1.00 54.11 C ATOM 195 OH TYR A 12 3.611 -8.310 -0.566 1.00 44.13 O ATOM 0 H TYR A 12 -3.172 -7.590 -5.383 1.00 23.12 H new ATOM 0 HA TYR A 12 -0.594 -6.370 -4.818 1.00 45.11 H new ATOM 0 HB2 TYR A 12 -1.787 -6.298 -2.648 1.00 22.11 H new ATOM 0 HB3 TYR A 12 -2.108 -8.017 -2.759 1.00 22.11 H new ATOM 0 HD1 TYR A 12 0.669 -5.535 -2.563 1.00 63.10 H new ATOM 0 HD2 TYR A 12 -0.473 -9.597 -2.001 1.00 45.41 H new ATOM 0 HE1 TYR A 12 2.833 -5.993 -1.505 1.00 54.11 H new ATOM 0 HE2 TYR A 12 1.697 -10.059 -0.944 1.00 14.31 H new ATOM 0 HH TYR A 12 3.904 -9.216 -0.798 1.00 44.13 H new ATOM 205 N ASN A 13 0.334 -8.402 -5.769 1.00 14.44 N ATOM 206 CA ASN A 13 0.992 -9.561 -6.324 1.00 13.15 C ATOM 207 C ASN A 13 1.848 -10.152 -5.221 1.00 3.11 C ATOM 208 O ASN A 13 2.868 -9.581 -4.854 1.00 24.54 O ATOM 209 CB ASN A 13 1.876 -9.136 -7.528 1.00 54.44 C ATOM 210 CG ASN A 13 2.604 -10.275 -8.234 1.00 41.44 C ATOM 211 OD1 ASN A 13 2.935 -11.298 -7.641 1.00 44.02 O ATOM 212 ND2 ASN A 13 2.886 -10.090 -9.494 1.00 74.13 N ATOM 0 H ASN A 13 0.848 -7.532 -5.907 1.00 14.44 H new ATOM 0 HA ASN A 13 0.269 -10.293 -6.683 1.00 13.15 H new ATOM 0 HB2 ASN A 13 1.248 -8.622 -8.255 1.00 54.44 H new ATOM 0 HB3 ASN A 13 2.615 -8.415 -7.179 1.00 54.44 H new ATOM 0 HD21 ASN A 13 3.395 -10.806 -10.013 1.00 74.13 H new ATOM 0 HD22 ASN A 13 2.598 -9.230 -9.960 1.00 74.13 H new ATOM 219 N SER A 14 1.430 -11.267 -4.686 1.00 33.04 N ATOM 220 CA SER A 14 2.118 -11.880 -3.572 1.00 61.21 C ATOM 221 C SER A 14 3.368 -12.649 -4.018 1.00 43.21 C ATOM 222 O SER A 14 4.203 -13.029 -3.196 1.00 11.14 O ATOM 223 CB SER A 14 1.154 -12.770 -2.787 1.00 61.32 C ATOM 224 OG SER A 14 0.047 -12.008 -2.312 1.00 12.35 O ATOM 0 H SER A 14 0.607 -11.778 -5.005 1.00 33.04 H new ATOM 0 HA SER A 14 2.469 -11.086 -2.913 1.00 61.21 H new ATOM 0 HB2 SER A 14 0.799 -13.581 -3.423 1.00 61.32 H new ATOM 0 HB3 SER A 14 1.675 -13.228 -1.947 1.00 61.32 H new ATOM 0 HG SER A 14 0.343 -11.098 -2.100 1.00 12.35 H new ATOM 230 N THR A 15 3.504 -12.852 -5.311 1.00 42.04 N ATOM 231 CA THR A 15 4.654 -13.521 -5.847 1.00 73.15 C ATOM 232 C THR A 15 5.826 -12.534 -5.919 1.00 70.34 C ATOM 233 O THR A 15 6.942 -12.837 -5.488 1.00 13.32 O ATOM 234 CB THR A 15 4.343 -14.071 -7.258 1.00 32.22 C ATOM 235 OG1 THR A 15 3.166 -14.883 -7.189 1.00 22.51 O ATOM 236 CG2 THR A 15 5.497 -14.912 -7.790 1.00 51.44 C ATOM 0 H THR A 15 2.822 -12.558 -6.010 1.00 42.04 H new ATOM 0 HA THR A 15 4.918 -14.356 -5.198 1.00 73.15 H new ATOM 0 HB THR A 15 4.193 -13.229 -7.933 1.00 32.22 H new ATOM 0 HG1 THR A 15 2.959 -15.235 -8.080 1.00 22.51 H new ATOM 0 HG21 THR A 15 5.248 -15.284 -8.784 1.00 51.44 H new ATOM 0 HG22 THR A 15 6.397 -14.300 -7.847 1.00 51.44 H new ATOM 0 HG23 THR A 15 5.672 -15.754 -7.120 1.00 51.44 H new ATOM 244 N LYS A 16 5.555 -11.344 -6.432 1.00 54.35 N ATOM 245 CA LYS A 16 6.589 -10.333 -6.575 1.00 52.24 C ATOM 246 C LYS A 16 6.588 -9.329 -5.428 1.00 53.52 C ATOM 247 O LYS A 16 7.488 -8.493 -5.335 1.00 61.51 O ATOM 248 CB LYS A 16 6.474 -9.625 -7.918 1.00 71.30 C ATOM 249 CG LYS A 16 6.729 -10.534 -9.106 1.00 52.13 C ATOM 250 CD LYS A 16 6.603 -9.777 -10.406 1.00 0.51 C ATOM 251 CE LYS A 16 6.944 -10.653 -11.593 1.00 5.43 C ATOM 252 NZ LYS A 16 6.811 -9.926 -12.875 1.00 54.34 N ATOM 0 H LYS A 16 4.631 -11.056 -6.755 1.00 54.35 H new ATOM 0 HA LYS A 16 7.546 -10.853 -6.537 1.00 52.24 H new ATOM 0 HB2 LYS A 16 5.477 -9.194 -8.008 1.00 71.30 H new ATOM 0 HB3 LYS A 16 7.183 -8.797 -7.945 1.00 71.30 H new ATOM 0 HG2 LYS A 16 7.726 -10.967 -9.029 1.00 52.13 H new ATOM 0 HG3 LYS A 16 6.020 -11.362 -9.093 1.00 52.13 H new ATOM 0 HD2 LYS A 16 5.586 -9.399 -10.511 1.00 0.51 H new ATOM 0 HD3 LYS A 16 7.265 -8.911 -10.390 1.00 0.51 H new ATOM 0 HE2 LYS A 16 7.964 -11.022 -11.490 1.00 5.43 H new ATOM 0 HE3 LYS A 16 6.289 -11.524 -11.601 1.00 5.43 H new ATOM 0 HZ1 LYS A 16 7.054 -10.562 -13.661 1.00 54.34 H new ATOM 0 HZ2 LYS A 16 5.831 -9.595 -12.987 1.00 54.34 H new ATOM 0 HZ3 LYS A 16 7.455 -9.109 -12.879 1.00 54.34 H new ATOM 266 N ASN A 17 5.576 -9.411 -4.566 1.00 12.44 N ATOM 267 CA ASN A 17 5.476 -8.564 -3.361 1.00 70.01 C ATOM 268 C ASN A 17 5.264 -7.084 -3.698 1.00 43.41 C ATOM 269 O ASN A 17 5.613 -6.189 -2.907 1.00 12.31 O ATOM 270 CB ASN A 17 6.696 -8.779 -2.436 1.00 63.43 C ATOM 271 CG ASN A 17 6.732 -10.178 -1.817 1.00 53.32 C ATOM 272 OD1 ASN A 17 5.575 -10.719 -1.484 1.00 13.05 O flip ATOM 273 ND2 ASN A 17 7.802 -10.749 -1.597 1.00 2.14 N flip ATOM 0 H ASN A 17 4.799 -10.063 -4.676 1.00 12.44 H new ATOM 0 HA ASN A 17 4.585 -8.878 -2.818 1.00 70.01 H new ATOM 0 HB2 ASN A 17 7.611 -8.615 -3.005 1.00 63.43 H new ATOM 0 HB3 ASN A 17 6.678 -8.035 -1.640 1.00 63.43 H new ATOM 0 HD21 ASN A 17 8.681 -10.306 -1.866 1.00 2.14 H new ATOM 0 HD22 ASN A 17 7.809 -11.664 -1.146 1.00 2.14 H new ATOM 280 N PHE A 18 4.655 -6.835 -4.842 1.00 43.41 N ATOM 281 CA PHE A 18 4.300 -5.487 -5.272 1.00 32.02 C ATOM 282 C PHE A 18 2.813 -5.412 -5.528 1.00 25.23 C ATOM 283 O PHE A 18 2.170 -6.426 -5.760 1.00 43.32 O ATOM 284 CB PHE A 18 5.045 -5.050 -6.550 1.00 63.41 C ATOM 285 CG PHE A 18 6.517 -4.825 -6.390 1.00 2.01 C ATOM 286 CD1 PHE A 18 6.987 -3.673 -5.779 1.00 45.14 C ATOM 287 CD2 PHE A 18 7.434 -5.738 -6.875 1.00 41.02 C ATOM 288 CE1 PHE A 18 8.338 -3.442 -5.647 1.00 55.12 C ATOM 289 CE2 PHE A 18 8.790 -5.515 -6.744 1.00 33.43 C ATOM 290 CZ PHE A 18 9.242 -4.365 -6.132 1.00 1.41 C ATOM 0 H PHE A 18 4.389 -7.563 -5.506 1.00 43.41 H new ATOM 0 HA PHE A 18 4.595 -4.812 -4.469 1.00 32.02 H new ATOM 0 HB2 PHE A 18 4.892 -5.809 -7.317 1.00 63.41 H new ATOM 0 HB3 PHE A 18 4.592 -4.129 -6.918 1.00 63.41 H new ATOM 0 HD1 PHE A 18 6.283 -2.946 -5.401 1.00 45.14 H new ATOM 0 HD2 PHE A 18 7.086 -6.637 -7.362 1.00 41.02 H new ATOM 0 HE1 PHE A 18 8.689 -2.541 -5.165 1.00 55.12 H new ATOM 0 HE2 PHE A 18 9.496 -6.240 -7.120 1.00 33.43 H new ATOM 0 HZ PHE A 18 10.303 -4.187 -6.032 1.00 1.41 H new ATOM 300 N GLY A 19 2.280 -4.236 -5.477 1.00 64.33 N ATOM 301 CA GLY A 19 0.893 -4.028 -5.752 1.00 53.41 C ATOM 302 C GLY A 19 0.584 -2.576 -5.709 1.00 33.11 C ATOM 303 O GLY A 19 1.493 -1.774 -5.734 1.00 33.34 O ATOM 0 H GLY A 19 2.795 -3.387 -5.243 1.00 64.33 H new ATOM 0 HA2 GLY A 19 0.642 -4.434 -6.732 1.00 53.41 H new ATOM 0 HA3 GLY A 19 0.284 -4.561 -5.021 1.00 53.41 H new ATOM 307 N PHE A 20 -0.663 -2.234 -5.619 1.00 51.42 N ATOM 308 CA PHE A 20 -1.091 -0.845 -5.536 1.00 63.31 C ATOM 309 C PHE A 20 -2.244 -0.697 -4.574 1.00 62.11 C ATOM 310 O PHE A 20 -2.861 -1.693 -4.172 1.00 60.03 O ATOM 311 CB PHE A 20 -1.486 -0.271 -6.898 1.00 14.14 C ATOM 312 CG PHE A 20 -0.354 0.099 -7.827 1.00 64.45 C ATOM 313 CD1 PHE A 20 0.183 -0.820 -8.701 1.00 71.33 C ATOM 314 CD2 PHE A 20 0.156 1.386 -7.824 1.00 51.31 C ATOM 315 CE1 PHE A 20 1.212 -0.469 -9.557 1.00 0.24 C ATOM 316 CE2 PHE A 20 1.182 1.747 -8.677 1.00 75.02 C ATOM 317 CZ PHE A 20 1.711 0.817 -9.543 1.00 31.14 C ATOM 0 H PHE A 20 -1.430 -2.906 -5.600 1.00 51.42 H new ATOM 0 HA PHE A 20 -0.234 -0.279 -5.171 1.00 63.31 H new ATOM 0 HB2 PHE A 20 -2.119 -0.999 -7.405 1.00 14.14 H new ATOM 0 HB3 PHE A 20 -2.094 0.618 -6.730 1.00 14.14 H new ATOM 0 HD1 PHE A 20 -0.204 -1.828 -8.719 1.00 71.33 H new ATOM 0 HD2 PHE A 20 -0.254 2.119 -7.145 1.00 51.31 H new ATOM 0 HE1 PHE A 20 1.624 -1.201 -10.235 1.00 0.24 H new ATOM 0 HE2 PHE A 20 1.567 2.756 -8.664 1.00 75.02 H new ATOM 0 HZ PHE A 20 2.514 1.093 -10.210 1.00 31.14 H new ATOM 327 N ILE A 21 -2.551 0.544 -4.224 1.00 42.14 N ATOM 328 CA ILE A 21 -3.620 0.870 -3.281 1.00 74.31 C ATOM 329 C ILE A 21 -4.283 2.188 -3.708 1.00 63.51 C ATOM 330 O ILE A 21 -3.590 3.138 -4.067 1.00 53.34 O ATOM 331 CB ILE A 21 -3.068 1.044 -1.823 1.00 75.21 C ATOM 332 CG1 ILE A 21 -2.296 -0.205 -1.373 1.00 14.32 C ATOM 333 CG2 ILE A 21 -4.212 1.324 -0.857 1.00 4.42 C ATOM 334 CD1 ILE A 21 -1.685 -0.096 0.010 1.00 4.42 C ATOM 0 H ILE A 21 -2.063 1.362 -4.588 1.00 42.14 H new ATOM 0 HA ILE A 21 -4.337 0.049 -3.288 1.00 74.31 H new ATOM 0 HB ILE A 21 -2.382 1.891 -1.820 1.00 75.21 H new ATOM 0 HG12 ILE A 21 -2.970 -1.061 -1.393 1.00 14.32 H new ATOM 0 HG13 ILE A 21 -1.503 -0.407 -2.093 1.00 14.32 H new ATOM 0 HG21 ILE A 21 -3.816 1.443 0.151 1.00 4.42 H new ATOM 0 HG22 ILE A 21 -4.725 2.238 -1.155 1.00 4.42 H new ATOM 0 HG23 ILE A 21 -4.915 0.491 -0.875 1.00 4.42 H new ATOM 0 HD11 ILE A 21 -1.159 -1.020 0.249 1.00 4.42 H new ATOM 0 HD12 ILE A 21 -0.983 0.738 0.033 1.00 4.42 H new ATOM 0 HD13 ILE A 21 -2.473 0.073 0.744 1.00 4.42 H new ATOM 346 N GLU A 22 -5.605 2.226 -3.712 1.00 24.00 N ATOM 347 CA GLU A 22 -6.346 3.436 -4.038 1.00 55.14 C ATOM 348 C GLU A 22 -7.574 3.451 -3.158 1.00 64.43 C ATOM 349 O GLU A 22 -8.071 2.391 -2.817 1.00 44.44 O ATOM 350 CB GLU A 22 -6.801 3.419 -5.514 1.00 44.44 C ATOM 351 CG GLU A 22 -7.883 2.378 -5.826 1.00 1.31 C ATOM 352 CD GLU A 22 -8.324 2.384 -7.263 1.00 63.45 C ATOM 353 OE1 GLU A 22 -8.892 3.396 -7.717 1.00 33.23 O ATOM 354 OE2 GLU A 22 -8.087 1.387 -7.974 1.00 14.42 O ATOM 0 H GLU A 22 -6.194 1.423 -3.491 1.00 24.00 H new ATOM 0 HA GLU A 22 -5.716 4.312 -3.881 1.00 55.14 H new ATOM 0 HB2 GLU A 22 -7.177 4.408 -5.778 1.00 44.44 H new ATOM 0 HB3 GLU A 22 -5.935 3.227 -6.147 1.00 44.44 H new ATOM 0 HG2 GLU A 22 -7.506 1.387 -5.574 1.00 1.31 H new ATOM 0 HG3 GLU A 22 -8.748 2.562 -5.188 1.00 1.31 H new ATOM 361 N GLN A 23 -8.083 4.591 -2.758 1.00 12.21 N ATOM 362 CA GLN A 23 -9.329 4.493 -2.070 1.00 31.34 C ATOM 363 C GLN A 23 -10.432 4.623 -3.020 1.00 52.22 C ATOM 364 O GLN A 23 -10.255 5.162 -4.118 1.00 12.32 O ATOM 365 CB GLN A 23 -9.525 5.360 -0.819 1.00 34.01 C ATOM 366 CG GLN A 23 -9.792 6.828 -0.940 1.00 33.20 C ATOM 367 CD GLN A 23 -8.674 7.611 -1.499 1.00 22.34 C ATOM 368 OE1 GLN A 23 -8.627 7.864 -2.660 1.00 43.21 O ATOM 369 NE2 GLN A 23 -7.725 7.893 -0.681 1.00 71.10 N ATOM 0 H GLN A 23 -7.688 5.523 -2.885 1.00 12.21 H new ATOM 0 HA GLN A 23 -9.316 3.495 -1.632 1.00 31.34 H new ATOM 0 HB2 GLN A 23 -10.353 4.929 -0.257 1.00 34.01 H new ATOM 0 HB3 GLN A 23 -8.630 5.246 -0.207 1.00 34.01 H new ATOM 0 HG2 GLN A 23 -10.670 6.974 -1.569 1.00 33.20 H new ATOM 0 HG3 GLN A 23 -10.037 7.222 0.046 1.00 33.20 H new ATOM 0 HE21 GLN A 23 -7.815 7.654 0.307 1.00 71.10 H new ATOM 0 HE22 GLN A 23 -6.881 8.356 -1.019 1.00 71.10 H new ATOM 378 N ASP A 24 -11.562 4.138 -2.620 1.00 72.14 N ATOM 379 CA ASP A 24 -12.774 4.118 -3.435 1.00 34.45 C ATOM 380 C ASP A 24 -13.196 5.507 -3.913 1.00 51.11 C ATOM 381 O ASP A 24 -14.008 5.637 -4.818 1.00 45.33 O ATOM 382 CB ASP A 24 -13.907 3.486 -2.654 1.00 70.45 C ATOM 383 CG ASP A 24 -13.630 2.066 -2.252 1.00 15.24 C ATOM 384 OD1 ASP A 24 -13.852 1.138 -3.061 1.00 2.33 O ATOM 385 OD2 ASP A 24 -13.186 1.850 -1.117 1.00 25.44 O ATOM 0 H ASP A 24 -11.691 3.729 -1.695 1.00 72.14 H new ATOM 0 HA ASP A 24 -12.547 3.528 -4.323 1.00 34.45 H new ATOM 0 HB2 ASP A 24 -14.098 4.079 -1.760 1.00 70.45 H new ATOM 0 HB3 ASP A 24 -14.815 3.516 -3.256 1.00 70.45 H new ATOM 390 N ASN A 25 -12.645 6.535 -3.302 1.00 33.31 N ATOM 391 CA ASN A 25 -12.944 7.907 -3.681 1.00 35.41 C ATOM 392 C ASN A 25 -12.070 8.364 -4.858 1.00 11.13 C ATOM 393 O ASN A 25 -12.224 9.476 -5.348 1.00 4.42 O ATOM 394 CB ASN A 25 -12.799 8.873 -2.482 1.00 62.31 C ATOM 395 CG ASN A 25 -13.753 8.569 -1.316 1.00 12.34 C ATOM 396 OD1 ASN A 25 -14.918 8.027 -1.609 1.00 23.31 O flip ATOM 397 ND2 ASN A 25 -13.433 8.829 -0.153 1.00 45.03 N flip ATOM 0 H ASN A 25 -11.981 6.448 -2.533 1.00 33.31 H new ATOM 0 HA ASN A 25 -13.985 7.932 -4.004 1.00 35.41 H new ATOM 0 HB2 ASN A 25 -11.772 8.833 -2.118 1.00 62.31 H new ATOM 0 HB3 ASN A 25 -12.975 9.892 -2.826 1.00 62.31 H new ATOM 0 HD21 ASN A 25 -12.524 9.248 0.044 1.00 45.03 H new ATOM 0 HD22 ASN A 25 -14.077 8.624 0.611 1.00 45.03 H new ATOM 404 N GLY A 26 -11.168 7.493 -5.318 1.00 22.51 N ATOM 405 CA GLY A 26 -10.316 7.828 -6.446 1.00 61.25 C ATOM 406 C GLY A 26 -8.871 8.046 -6.046 1.00 13.01 C ATOM 407 O GLY A 26 -8.273 9.075 -6.385 1.00 25.21 O ATOM 0 H GLY A 26 -11.015 6.563 -4.928 1.00 22.51 H new ATOM 0 HA2 GLY A 26 -10.367 7.028 -7.184 1.00 61.25 H new ATOM 0 HA3 GLY A 26 -10.695 8.730 -6.927 1.00 61.25 H new ATOM 411 N GLY A 27 -8.304 7.095 -5.306 1.00 53.51 N ATOM 412 CA GLY A 27 -6.916 7.225 -4.868 1.00 72.34 C ATOM 413 C GLY A 27 -5.920 7.176 -6.003 1.00 4.42 C ATOM 414 O GLY A 27 -6.173 6.544 -7.047 1.00 31.05 O ATOM 0 H GLY A 27 -8.773 6.242 -5.002 1.00 53.51 H new ATOM 0 HA2 GLY A 27 -6.799 8.167 -4.332 1.00 72.34 H new ATOM 0 HA3 GLY A 27 -6.690 6.426 -4.161 1.00 72.34 H new ATOM 418 N LYS A 28 -4.799 7.849 -5.808 1.00 44.24 N ATOM 419 CA LYS A 28 -3.751 7.933 -6.802 1.00 34.23 C ATOM 420 C LYS A 28 -2.951 6.638 -6.908 1.00 71.35 C ATOM 421 O LYS A 28 -3.239 5.653 -6.225 1.00 63.04 O ATOM 422 CB LYS A 28 -2.840 9.113 -6.511 1.00 50.33 C ATOM 423 CG LYS A 28 -2.129 9.069 -5.188 1.00 24.35 C ATOM 424 CD LYS A 28 -1.328 10.323 -5.035 1.00 73.14 C ATOM 425 CE LYS A 28 -0.560 10.358 -3.717 1.00 71.44 C ATOM 426 NZ LYS A 28 0.178 11.630 -3.527 1.00 10.42 N ATOM 0 H LYS A 28 -4.592 8.356 -4.947 1.00 44.24 H new ATOM 0 HA LYS A 28 -4.229 8.088 -7.769 1.00 34.23 H new ATOM 0 HB2 LYS A 28 -2.094 9.178 -7.303 1.00 50.33 H new ATOM 0 HB3 LYS A 28 -3.432 10.027 -6.555 1.00 50.33 H new ATOM 0 HG2 LYS A 28 -2.849 8.978 -4.375 1.00 24.35 H new ATOM 0 HG3 LYS A 28 -1.478 8.196 -5.137 1.00 24.35 H new ATOM 0 HD2 LYS A 28 -0.626 10.408 -5.865 1.00 73.14 H new ATOM 0 HD3 LYS A 28 -1.992 11.186 -5.090 1.00 73.14 H new ATOM 0 HE2 LYS A 28 -1.256 10.218 -2.890 1.00 71.44 H new ATOM 0 HE3 LYS A 28 0.143 9.525 -3.687 1.00 71.44 H new ATOM 0 HZ1 LYS A 28 0.683 11.606 -2.618 1.00 10.42 H new ATOM 0 HZ2 LYS A 28 0.862 11.753 -4.301 1.00 10.42 H new ATOM 0 HZ3 LYS A 28 -0.493 12.424 -3.529 1.00 10.42 H new ATOM 440 N ASP A 29 -1.964 6.634 -7.764 1.00 11.31 N ATOM 441 CA ASP A 29 -1.144 5.455 -7.967 1.00 53.51 C ATOM 442 C ASP A 29 -0.020 5.409 -6.958 1.00 61.02 C ATOM 443 O ASP A 29 0.969 6.149 -7.072 1.00 1.43 O ATOM 444 CB ASP A 29 -0.547 5.409 -9.386 1.00 14.14 C ATOM 445 CG ASP A 29 -1.575 5.378 -10.493 1.00 45.54 C ATOM 446 OD1 ASP A 29 -2.036 6.472 -10.927 1.00 65.13 O ATOM 447 OD2 ASP A 29 -1.913 4.284 -10.983 1.00 1.22 O ATOM 0 H ASP A 29 -1.702 7.436 -8.338 1.00 11.31 H new ATOM 0 HA ASP A 29 -1.794 4.590 -7.836 1.00 53.51 H new ATOM 0 HB2 ASP A 29 0.094 6.279 -9.526 1.00 14.14 H new ATOM 0 HB3 ASP A 29 0.089 4.528 -9.472 1.00 14.14 H new ATOM 452 N VAL A 30 -0.189 4.610 -5.954 1.00 61.22 N ATOM 453 CA VAL A 30 0.852 4.365 -4.991 1.00 10.10 C ATOM 454 C VAL A 30 1.032 2.869 -4.852 1.00 23.22 C ATOM 455 O VAL A 30 0.063 2.135 -4.592 1.00 73.54 O ATOM 456 CB VAL A 30 0.596 5.066 -3.604 1.00 72.41 C ATOM 457 CG1 VAL A 30 -0.732 4.699 -2.997 1.00 23.24 C ATOM 458 CG2 VAL A 30 1.687 4.724 -2.627 1.00 31.54 C ATOM 0 H VAL A 30 -1.055 4.103 -5.772 1.00 61.22 H new ATOM 0 HA VAL A 30 1.775 4.814 -5.356 1.00 10.10 H new ATOM 0 HB VAL A 30 0.589 6.137 -3.805 1.00 72.41 H new ATOM 0 HG11 VAL A 30 -0.851 5.213 -2.043 1.00 23.24 H new ATOM 0 HG12 VAL A 30 -1.535 4.996 -3.672 1.00 23.24 H new ATOM 0 HG13 VAL A 30 -0.773 3.622 -2.836 1.00 23.24 H new ATOM 0 HG21 VAL A 30 1.491 5.218 -1.675 1.00 31.54 H new ATOM 0 HG22 VAL A 30 1.715 3.645 -2.476 1.00 31.54 H new ATOM 0 HG23 VAL A 30 2.646 5.061 -3.020 1.00 31.54 H new ATOM 468 N PHE A 31 2.242 2.403 -5.074 1.00 23.51 N ATOM 469 CA PHE A 31 2.487 0.989 -5.039 1.00 43.12 C ATOM 470 C PHE A 31 2.809 0.517 -3.652 1.00 41.43 C ATOM 471 O PHE A 31 3.382 1.238 -2.864 1.00 41.23 O ATOM 472 CB PHE A 31 3.547 0.526 -6.077 1.00 52.05 C ATOM 473 CG PHE A 31 4.926 1.112 -5.951 1.00 4.31 C ATOM 474 CD1 PHE A 31 5.236 2.307 -6.559 1.00 25.01 C ATOM 475 CD2 PHE A 31 5.920 0.445 -5.247 1.00 43.41 C ATOM 476 CE1 PHE A 31 6.500 2.841 -6.472 1.00 3.40 C ATOM 477 CE2 PHE A 31 7.191 0.974 -5.150 1.00 11.44 C ATOM 478 CZ PHE A 31 7.483 2.175 -5.765 1.00 51.31 C ATOM 0 H PHE A 31 3.059 2.979 -5.278 1.00 23.51 H new ATOM 0 HA PHE A 31 1.554 0.510 -5.338 1.00 43.12 H new ATOM 0 HB2 PHE A 31 3.633 -0.559 -6.013 1.00 52.05 H new ATOM 0 HB3 PHE A 31 3.170 0.758 -7.073 1.00 52.05 H new ATOM 0 HD1 PHE A 31 4.474 2.834 -7.114 1.00 25.01 H new ATOM 0 HD2 PHE A 31 5.696 -0.498 -4.770 1.00 43.41 H new ATOM 0 HE1 PHE A 31 6.724 3.780 -6.956 1.00 3.40 H new ATOM 0 HE2 PHE A 31 7.955 0.450 -4.595 1.00 11.44 H new ATOM 0 HZ PHE A 31 8.476 2.593 -5.694 1.00 51.31 H new ATOM 488 N VAL A 32 2.418 -0.668 -3.354 1.00 21.55 N ATOM 489 CA VAL A 32 2.675 -1.241 -2.074 1.00 20.54 C ATOM 490 C VAL A 32 3.718 -2.344 -2.224 1.00 71.13 C ATOM 491 O VAL A 32 3.734 -3.072 -3.223 1.00 34.42 O ATOM 492 CB VAL A 32 1.366 -1.773 -1.398 1.00 73.34 C ATOM 493 CG1 VAL A 32 0.695 -2.853 -2.229 1.00 31.51 C ATOM 494 CG2 VAL A 32 1.635 -2.271 0.011 1.00 11.53 C ATOM 0 H VAL A 32 1.906 -1.276 -3.993 1.00 21.55 H new ATOM 0 HA VAL A 32 3.064 -0.467 -1.413 1.00 20.54 H new ATOM 0 HB VAL A 32 0.678 -0.930 -1.337 1.00 73.34 H new ATOM 0 HG11 VAL A 32 -0.208 -3.193 -1.723 1.00 31.51 H new ATOM 0 HG12 VAL A 32 0.433 -2.449 -3.207 1.00 31.51 H new ATOM 0 HG13 VAL A 32 1.378 -3.693 -2.354 1.00 31.51 H new ATOM 0 HG21 VAL A 32 0.707 -2.633 0.452 1.00 11.53 H new ATOM 0 HG22 VAL A 32 2.362 -3.083 -0.023 1.00 11.53 H new ATOM 0 HG23 VAL A 32 2.030 -1.455 0.616 1.00 11.53 H new ATOM 504 N HIS A 33 4.605 -2.437 -1.275 1.00 34.31 N ATOM 505 CA HIS A 33 5.641 -3.427 -1.306 1.00 43.10 C ATOM 506 C HIS A 33 5.704 -4.127 0.039 1.00 54.33 C ATOM 507 O HIS A 33 5.302 -3.558 1.051 1.00 43.01 O ATOM 508 CB HIS A 33 6.989 -2.774 -1.687 1.00 14.54 C ATOM 509 CG HIS A 33 8.102 -3.754 -1.794 1.00 4.52 C ATOM 510 ND1 HIS A 33 8.003 -4.901 -2.530 1.00 12.21 N ATOM 511 CD2 HIS A 33 9.299 -3.803 -1.193 1.00 24.01 C ATOM 512 CE1 HIS A 33 9.080 -5.609 -2.373 1.00 1.12 C ATOM 513 NE2 HIS A 33 9.887 -4.965 -1.572 1.00 72.44 N ATOM 0 H HIS A 33 4.630 -1.828 -0.457 1.00 34.31 H new ATOM 0 HA HIS A 33 5.422 -4.177 -2.066 1.00 43.10 H new ATOM 0 HB2 HIS A 33 6.878 -2.254 -2.639 1.00 14.54 H new ATOM 0 HB3 HIS A 33 7.245 -2.022 -0.941 1.00 14.54 H new ATOM 0 HD1 HIS A 33 7.207 -5.161 -3.112 1.00 12.21 H new ATOM 0 HD2 HIS A 33 9.716 -3.058 -0.532 1.00 24.01 H new ATOM 0 HE1 HIS A 33 9.276 -6.569 -2.828 1.00 1.12 H new ATOM 522 N LYS A 34 6.220 -5.349 0.056 1.00 51.00 N ATOM 523 CA LYS A 34 6.253 -6.158 1.268 1.00 64.31 C ATOM 524 C LYS A 34 7.109 -5.551 2.369 1.00 4.22 C ATOM 525 O LYS A 34 6.959 -5.890 3.510 1.00 43.22 O ATOM 526 CB LYS A 34 6.595 -7.625 0.961 1.00 72.42 C ATOM 527 CG LYS A 34 6.696 -8.539 2.177 1.00 53.01 C ATOM 528 CD LYS A 34 6.696 -9.976 1.758 1.00 54.34 C ATOM 529 CE LYS A 34 6.948 -10.921 2.920 1.00 24.20 C ATOM 530 NZ LYS A 34 8.316 -10.782 3.471 1.00 45.14 N ATOM 0 H LYS A 34 6.624 -5.805 -0.762 1.00 51.00 H new ATOM 0 HA LYS A 34 5.242 -6.158 1.675 1.00 64.31 H new ATOM 0 HB2 LYS A 34 5.836 -8.025 0.289 1.00 72.42 H new ATOM 0 HB3 LYS A 34 7.543 -7.655 0.425 1.00 72.42 H new ATOM 0 HG2 LYS A 34 7.608 -8.316 2.731 1.00 53.01 H new ATOM 0 HG3 LYS A 34 5.860 -8.351 2.850 1.00 53.01 H new ATOM 0 HD2 LYS A 34 5.737 -10.217 1.299 1.00 54.34 H new ATOM 0 HD3 LYS A 34 7.461 -10.129 0.997 1.00 54.34 H new ATOM 0 HE2 LYS A 34 6.220 -10.727 3.708 1.00 24.20 H new ATOM 0 HE3 LYS A 34 6.794 -11.948 2.590 1.00 24.20 H new ATOM 0 HZ1 LYS A 34 8.512 -11.573 4.117 1.00 45.14 H new ATOM 0 HZ2 LYS A 34 9.006 -10.791 2.693 1.00 45.14 H new ATOM 0 HZ3 LYS A 34 8.391 -9.884 3.991 1.00 45.14 H new ATOM 544 N SER A 35 7.981 -4.635 2.016 1.00 61.21 N ATOM 545 CA SER A 35 8.750 -3.880 3.014 1.00 0.20 C ATOM 546 C SER A 35 7.797 -3.129 3.987 1.00 32.21 C ATOM 547 O SER A 35 8.136 -2.889 5.147 1.00 1.00 O ATOM 548 CB SER A 35 9.711 -2.909 2.312 1.00 52.14 C ATOM 549 OG SER A 35 10.505 -2.190 3.231 1.00 73.40 O ATOM 0 H SER A 35 8.185 -4.385 1.048 1.00 61.21 H new ATOM 0 HA SER A 35 9.342 -4.577 3.607 1.00 0.20 H new ATOM 0 HB2 SER A 35 10.357 -3.466 1.634 1.00 52.14 H new ATOM 0 HB3 SER A 35 9.138 -2.209 1.704 1.00 52.14 H new ATOM 0 HG SER A 35 11.103 -1.585 2.744 1.00 73.40 H new ATOM 555 N ALA A 36 6.600 -2.797 3.515 1.00 4.42 N ATOM 556 CA ALA A 36 5.617 -2.156 4.358 1.00 62.32 C ATOM 557 C ALA A 36 4.955 -3.183 5.245 1.00 11.03 C ATOM 558 O ALA A 36 4.617 -2.901 6.394 1.00 1.40 O ATOM 559 CB ALA A 36 4.597 -1.458 3.541 1.00 10.22 C ATOM 0 H ALA A 36 6.295 -2.963 2.556 1.00 4.42 H new ATOM 0 HA ALA A 36 6.123 -1.416 4.978 1.00 62.32 H new ATOM 0 HB1 ALA A 36 3.868 -0.983 4.197 1.00 10.22 H new ATOM 0 HB2 ALA A 36 5.080 -0.699 2.926 1.00 10.22 H new ATOM 0 HB3 ALA A 36 4.091 -2.178 2.898 1.00 10.22 H new ATOM 565 N VAL A 37 4.761 -4.384 4.696 1.00 3.02 N ATOM 566 CA VAL A 37 4.274 -5.505 5.476 1.00 15.25 C ATOM 567 C VAL A 37 5.277 -5.786 6.541 1.00 33.10 C ATOM 568 O VAL A 37 4.944 -5.886 7.674 1.00 41.34 O ATOM 569 CB VAL A 37 4.085 -6.800 4.632 1.00 15.04 C ATOM 570 CG1 VAL A 37 3.764 -7.993 5.549 1.00 24.14 C ATOM 571 CG2 VAL A 37 2.971 -6.608 3.609 1.00 34.34 C ATOM 0 H VAL A 37 4.936 -4.597 3.714 1.00 3.02 H new ATOM 0 HA VAL A 37 3.298 -5.233 5.877 1.00 15.25 H new ATOM 0 HB VAL A 37 5.014 -7.007 4.101 1.00 15.04 H new ATOM 0 HG11 VAL A 37 3.634 -8.891 4.945 1.00 24.14 H new ATOM 0 HG12 VAL A 37 4.584 -8.143 6.251 1.00 24.14 H new ATOM 0 HG13 VAL A 37 2.846 -7.791 6.101 1.00 24.14 H new ATOM 0 HG21 VAL A 37 2.851 -7.521 3.027 1.00 34.34 H new ATOM 0 HG22 VAL A 37 2.038 -6.381 4.125 1.00 34.34 H new ATOM 0 HG23 VAL A 37 3.227 -5.784 2.943 1.00 34.34 H new ATOM 581 N ASP A 38 6.515 -5.859 6.129 1.00 44.43 N ATOM 582 CA ASP A 38 7.650 -6.137 6.992 1.00 1.14 C ATOM 583 C ASP A 38 7.739 -5.129 8.127 1.00 3.34 C ATOM 584 O ASP A 38 8.144 -5.465 9.239 1.00 51.54 O ATOM 585 CB ASP A 38 8.931 -6.100 6.160 1.00 34.25 C ATOM 586 CG ASP A 38 10.161 -6.425 6.956 1.00 74.13 C ATOM 587 OD1 ASP A 38 10.457 -7.621 7.132 1.00 14.31 O ATOM 588 OD2 ASP A 38 10.858 -5.493 7.404 1.00 54.03 O ATOM 0 H ASP A 38 6.778 -5.723 5.153 1.00 44.43 H new ATOM 0 HA ASP A 38 7.520 -7.125 7.433 1.00 1.14 H new ATOM 0 HB2 ASP A 38 8.842 -6.807 5.336 1.00 34.25 H new ATOM 0 HB3 ASP A 38 9.042 -5.109 5.719 1.00 34.25 H new ATOM 593 N ALA A 39 7.332 -3.895 7.847 1.00 53.33 N ATOM 594 CA ALA A 39 7.375 -2.833 8.847 1.00 4.31 C ATOM 595 C ALA A 39 6.395 -3.064 10.020 1.00 52.44 C ATOM 596 O ALA A 39 6.650 -2.617 11.138 1.00 15.43 O ATOM 597 CB ALA A 39 7.111 -1.486 8.200 1.00 53.04 C ATOM 0 H ALA A 39 6.970 -3.606 6.939 1.00 53.33 H new ATOM 0 HA ALA A 39 8.379 -2.846 9.270 1.00 4.31 H new ATOM 0 HB1 ALA A 39 7.146 -0.705 8.959 1.00 53.04 H new ATOM 0 HB2 ALA A 39 7.870 -1.291 7.443 1.00 53.04 H new ATOM 0 HB3 ALA A 39 6.126 -1.494 7.733 1.00 53.04 H new ATOM 603 N ALA A 40 5.293 -3.764 9.775 1.00 12.32 N ATOM 604 CA ALA A 40 4.289 -3.965 10.834 1.00 1.13 C ATOM 605 C ALA A 40 3.883 -5.437 10.990 1.00 14.15 C ATOM 606 O ALA A 40 3.090 -5.783 11.872 1.00 72.42 O ATOM 607 CB ALA A 40 3.064 -3.104 10.563 1.00 5.40 C ATOM 0 H ALA A 40 5.068 -4.195 8.879 1.00 12.32 H new ATOM 0 HA ALA A 40 4.748 -3.661 11.775 1.00 1.13 H new ATOM 0 HB1 ALA A 40 2.328 -3.260 11.352 1.00 5.40 H new ATOM 0 HB2 ALA A 40 3.355 -2.054 10.541 1.00 5.40 H new ATOM 0 HB3 ALA A 40 2.630 -3.381 9.602 1.00 5.40 H new ATOM 613 N GLY A 41 4.435 -6.273 10.146 1.00 42.04 N ATOM 614 CA GLY A 41 4.133 -7.693 10.106 1.00 1.12 C ATOM 615 C GLY A 41 2.693 -7.977 9.791 1.00 43.54 C ATOM 616 O GLY A 41 2.007 -8.706 10.525 1.00 14.31 O ATOM 0 H GLY A 41 5.123 -5.985 9.450 1.00 42.04 H new ATOM 0 HA2 GLY A 41 4.764 -8.172 9.358 1.00 1.12 H new ATOM 0 HA3 GLY A 41 4.384 -8.140 11.068 1.00 1.12 H new ATOM 620 N LEU A 42 2.229 -7.392 8.712 1.00 10.12 N ATOM 621 CA LEU A 42 0.879 -7.581 8.238 1.00 1.42 C ATOM 622 C LEU A 42 0.784 -9.055 7.770 1.00 11.23 C ATOM 623 O LEU A 42 1.753 -9.589 7.243 1.00 33.32 O ATOM 624 CB LEU A 42 0.658 -6.589 7.071 1.00 4.54 C ATOM 625 CG LEU A 42 -0.776 -6.156 6.732 1.00 70.42 C ATOM 626 CD1 LEU A 42 -1.658 -7.304 6.296 1.00 4.32 C ATOM 627 CD2 LEU A 42 -1.392 -5.392 7.892 1.00 35.41 C ATOM 0 H LEU A 42 2.785 -6.764 8.132 1.00 10.12 H new ATOM 0 HA LEU A 42 0.118 -7.394 8.996 1.00 1.42 H new ATOM 0 HB2 LEU A 42 1.232 -5.689 7.290 1.00 4.54 H new ATOM 0 HB3 LEU A 42 1.090 -7.033 6.174 1.00 4.54 H new ATOM 0 HG LEU A 42 -0.708 -5.490 5.872 1.00 70.42 H new ATOM 0 HD11 LEU A 42 -2.657 -6.930 6.071 1.00 4.32 H new ATOM 0 HD12 LEU A 42 -1.236 -7.769 5.405 1.00 4.32 H new ATOM 0 HD13 LEU A 42 -1.718 -8.041 7.097 1.00 4.32 H new ATOM 0 HD21 LEU A 42 -2.408 -5.094 7.633 1.00 35.41 H new ATOM 0 HD22 LEU A 42 -1.415 -6.029 8.776 1.00 35.41 H new ATOM 0 HD23 LEU A 42 -0.795 -4.504 8.101 1.00 35.41 H new ATOM 639 N HIS A 43 -0.340 -9.706 7.992 1.00 33.10 N ATOM 640 CA HIS A 43 -0.452 -11.128 7.661 1.00 33.53 C ATOM 641 C HIS A 43 -0.326 -11.396 6.147 1.00 12.25 C ATOM 642 O HIS A 43 0.611 -12.061 5.710 1.00 51.23 O ATOM 643 CB HIS A 43 -1.776 -11.698 8.200 1.00 15.30 C ATOM 644 CG HIS A 43 -1.991 -13.158 7.907 1.00 23.24 C ATOM 645 ND1 HIS A 43 -2.828 -13.614 6.911 1.00 11.51 N ATOM 646 CD2 HIS A 43 -1.475 -14.257 8.489 1.00 24.04 C ATOM 647 CE1 HIS A 43 -2.815 -14.925 6.897 1.00 3.21 C ATOM 648 NE2 HIS A 43 -2.003 -15.342 7.843 1.00 33.33 N ATOM 0 H HIS A 43 -1.180 -9.290 8.393 1.00 33.10 H new ATOM 0 HA HIS A 43 0.383 -11.636 8.143 1.00 33.53 H new ATOM 0 HB2 HIS A 43 -1.809 -11.548 9.279 1.00 15.30 H new ATOM 0 HB3 HIS A 43 -2.602 -11.129 7.774 1.00 15.30 H new ATOM 0 HD2 HIS A 43 -0.775 -14.278 9.312 1.00 24.04 H new ATOM 0 HE1 HIS A 43 -3.376 -15.555 6.223 1.00 3.21 H new ATOM 0 HE2 HIS A 43 -1.799 -16.317 8.061 1.00 33.33 H new ATOM 657 N SER A 44 -1.246 -10.860 5.369 1.00 44.23 N ATOM 658 CA SER A 44 -1.296 -11.053 3.914 1.00 10.04 C ATOM 659 C SER A 44 -2.283 -10.051 3.338 1.00 24.34 C ATOM 660 O SER A 44 -3.092 -9.493 4.089 1.00 21.20 O ATOM 661 CB SER A 44 -1.765 -12.489 3.561 1.00 75.11 C ATOM 662 OG SER A 44 -0.886 -13.483 4.086 1.00 24.55 O ATOM 0 H SER A 44 -1.996 -10.267 5.725 1.00 44.23 H new ATOM 0 HA SER A 44 -0.300 -10.906 3.497 1.00 10.04 H new ATOM 0 HB2 SER A 44 -2.769 -12.649 3.954 1.00 75.11 H new ATOM 0 HB3 SER A 44 -1.826 -12.594 2.478 1.00 75.11 H new ATOM 0 HG SER A 44 -0.065 -13.056 4.408 1.00 24.55 H new ATOM 668 N LEU A 45 -2.224 -9.812 2.036 1.00 44.31 N ATOM 669 CA LEU A 45 -3.146 -8.885 1.396 1.00 72.43 C ATOM 670 C LEU A 45 -3.579 -9.368 0.036 1.00 25.02 C ATOM 671 O LEU A 45 -2.879 -10.154 -0.635 1.00 55.51 O ATOM 672 CB LEU A 45 -2.535 -7.483 1.228 1.00 63.43 C ATOM 673 CG LEU A 45 -2.224 -6.686 2.494 1.00 71.50 C ATOM 674 CD1 LEU A 45 -1.514 -5.402 2.125 1.00 41.12 C ATOM 675 CD2 LEU A 45 -3.511 -6.358 3.245 1.00 31.11 C ATOM 0 H LEU A 45 -1.550 -10.245 1.404 1.00 44.31 H new ATOM 0 HA LEU A 45 -4.009 -8.831 2.060 1.00 72.43 H new ATOM 0 HB2 LEU A 45 -1.610 -7.586 0.661 1.00 63.43 H new ATOM 0 HB3 LEU A 45 -3.218 -6.891 0.618 1.00 63.43 H new ATOM 0 HG LEU A 45 -1.583 -7.288 3.138 1.00 71.50 H new ATOM 0 HD11 LEU A 45 -1.293 -4.835 3.030 1.00 41.12 H new ATOM 0 HD12 LEU A 45 -0.584 -5.636 1.608 1.00 41.12 H new ATOM 0 HD13 LEU A 45 -2.153 -4.808 1.472 1.00 41.12 H new ATOM 0 HD21 LEU A 45 -3.273 -5.790 4.144 1.00 31.11 H new ATOM 0 HD22 LEU A 45 -4.165 -5.766 2.605 1.00 31.11 H new ATOM 0 HD23 LEU A 45 -4.016 -7.283 3.523 1.00 31.11 H new ATOM 687 N GLU A 46 -4.728 -8.904 -0.344 1.00 53.42 N ATOM 688 CA GLU A 46 -5.293 -9.078 -1.640 1.00 41.42 C ATOM 689 C GLU A 46 -6.269 -7.946 -1.838 1.00 61.52 C ATOM 690 O GLU A 46 -6.494 -7.163 -0.891 1.00 4.14 O ATOM 691 CB GLU A 46 -5.968 -10.461 -1.852 1.00 3.45 C ATOM 692 CG GLU A 46 -7.171 -10.802 -0.967 1.00 4.43 C ATOM 693 CD GLU A 46 -6.841 -10.955 0.492 1.00 61.22 C ATOM 694 OE1 GLU A 46 -6.288 -12.008 0.877 1.00 15.41 O ATOM 695 OE2 GLU A 46 -7.167 -10.042 1.286 1.00 40.03 O ATOM 0 H GLU A 46 -5.328 -8.364 0.279 1.00 53.42 H new ATOM 0 HA GLU A 46 -4.498 -9.058 -2.385 1.00 41.42 H new ATOM 0 HB2 GLU A 46 -6.287 -10.524 -2.892 1.00 3.45 H new ATOM 0 HB3 GLU A 46 -5.211 -11.231 -1.703 1.00 3.45 H new ATOM 0 HG2 GLU A 46 -7.922 -10.020 -1.078 1.00 4.43 H new ATOM 0 HG3 GLU A 46 -7.620 -11.728 -1.325 1.00 4.43 H new ATOM 702 N GLU A 47 -6.846 -7.835 -3.009 1.00 0.33 N ATOM 703 CA GLU A 47 -7.742 -6.730 -3.293 1.00 11.11 C ATOM 704 C GLU A 47 -9.011 -6.779 -2.438 1.00 62.51 C ATOM 705 O GLU A 47 -9.385 -7.835 -1.897 1.00 41.44 O ATOM 706 CB GLU A 47 -8.084 -6.586 -4.799 1.00 43.00 C ATOM 707 CG GLU A 47 -8.801 -7.768 -5.456 1.00 30.11 C ATOM 708 CD GLU A 47 -7.956 -9.010 -5.564 1.00 53.35 C ATOM 709 OE1 GLU A 47 -7.144 -9.103 -6.500 1.00 3.43 O ATOM 710 OE2 GLU A 47 -8.079 -9.907 -4.706 1.00 41.22 O ATOM 0 H GLU A 47 -6.716 -8.490 -3.780 1.00 0.33 H new ATOM 0 HA GLU A 47 -7.189 -5.833 -3.016 1.00 11.11 H new ATOM 0 HB2 GLU A 47 -8.705 -5.699 -4.924 1.00 43.00 H new ATOM 0 HB3 GLU A 47 -7.157 -6.405 -5.343 1.00 43.00 H new ATOM 0 HG2 GLU A 47 -9.699 -8.000 -4.883 1.00 30.11 H new ATOM 0 HG3 GLU A 47 -9.127 -7.474 -6.454 1.00 30.11 H new ATOM 717 N GLY A 48 -9.641 -5.640 -2.286 1.00 54.13 N ATOM 718 CA GLY A 48 -10.860 -5.565 -1.505 1.00 43.11 C ATOM 719 C GLY A 48 -10.619 -5.053 -0.095 1.00 44.40 C ATOM 720 O GLY A 48 -11.493 -4.434 0.503 1.00 72.03 O ATOM 0 H GLY A 48 -9.335 -4.754 -2.689 1.00 54.13 H new ATOM 0 HA2 GLY A 48 -11.571 -4.910 -2.009 1.00 43.11 H new ATOM 0 HA3 GLY A 48 -11.317 -6.553 -1.456 1.00 43.11 H new ATOM 724 N GLN A 49 -9.433 -5.299 0.422 1.00 24.55 N ATOM 725 CA GLN A 49 -9.071 -4.889 1.768 1.00 3.02 C ATOM 726 C GLN A 49 -8.817 -3.422 1.862 1.00 13.21 C ATOM 727 O GLN A 49 -8.028 -2.885 1.110 1.00 0.12 O ATOM 728 CB GLN A 49 -7.833 -5.645 2.225 1.00 12.54 C ATOM 729 CG GLN A 49 -8.088 -7.087 2.567 1.00 11.00 C ATOM 730 CD GLN A 49 -8.677 -7.325 3.963 1.00 44.52 C ATOM 731 OE1 GLN A 49 -9.401 -6.371 4.509 1.00 1.24 O flip ATOM 732 NE2 GLN A 49 -8.451 -8.374 4.556 1.00 41.52 N flip ATOM 0 H GLN A 49 -8.691 -5.789 -0.077 1.00 24.55 H new ATOM 0 HA GLN A 49 -9.916 -5.124 2.415 1.00 3.02 H new ATOM 0 HB2 GLN A 49 -7.080 -5.597 1.439 1.00 12.54 H new ATOM 0 HB3 GLN A 49 -7.415 -5.144 3.098 1.00 12.54 H new ATOM 0 HG2 GLN A 49 -8.768 -7.506 1.825 1.00 11.00 H new ATOM 0 HG3 GLN A 49 -7.150 -7.636 2.486 1.00 11.00 H new ATOM 0 HE21 GLN A 49 -7.887 -9.099 4.113 1.00 41.52 H new ATOM 0 HE22 GLN A 49 -8.827 -8.522 5.493 1.00 41.52 H new ATOM 741 N ASP A 50 -9.485 -2.779 2.772 1.00 45.00 N ATOM 742 CA ASP A 50 -9.207 -1.387 3.034 1.00 62.12 C ATOM 743 C ASP A 50 -8.023 -1.336 3.940 1.00 53.32 C ATOM 744 O ASP A 50 -7.952 -2.083 4.930 1.00 53.20 O ATOM 745 CB ASP A 50 -10.368 -0.656 3.690 1.00 20.54 C ATOM 746 CG ASP A 50 -11.637 -0.638 2.888 1.00 15.10 C ATOM 747 OD1 ASP A 50 -12.457 -1.563 3.068 1.00 34.44 O ATOM 748 OD2 ASP A 50 -11.859 0.313 2.120 1.00 71.21 O ATOM 0 H ASP A 50 -10.223 -3.187 3.346 1.00 45.00 H new ATOM 0 HA ASP A 50 -9.027 -0.888 2.082 1.00 62.12 H new ATOM 0 HB2 ASP A 50 -10.572 -1.120 4.655 1.00 20.54 H new ATOM 0 HB3 ASP A 50 -10.066 0.372 3.888 1.00 20.54 H new ATOM 753 N VAL A 51 -7.115 -0.495 3.638 1.00 21.33 N ATOM 754 CA VAL A 51 -5.908 -0.430 4.354 1.00 41.22 C ATOM 755 C VAL A 51 -5.513 1.018 4.600 1.00 44.54 C ATOM 756 O VAL A 51 -5.867 1.927 3.847 1.00 4.22 O ATOM 757 CB VAL A 51 -4.793 -1.219 3.601 1.00 62.52 C ATOM 758 CG1 VAL A 51 -4.470 -0.619 2.237 1.00 62.33 C ATOM 759 CG2 VAL A 51 -3.550 -1.398 4.445 1.00 40.11 C ATOM 0 H VAL A 51 -7.191 0.178 2.875 1.00 21.33 H new ATOM 0 HA VAL A 51 -6.043 -0.899 5.328 1.00 41.22 H new ATOM 0 HB VAL A 51 -5.199 -2.214 3.415 1.00 62.52 H new ATOM 0 HG11 VAL A 51 -3.688 -1.207 1.757 1.00 62.33 H new ATOM 0 HG12 VAL A 51 -5.365 -0.628 1.614 1.00 62.33 H new ATOM 0 HG13 VAL A 51 -4.126 0.408 2.363 1.00 62.33 H new ATOM 0 HG21 VAL A 51 -2.802 -1.953 3.878 1.00 40.11 H new ATOM 0 HG22 VAL A 51 -3.149 -0.421 4.715 1.00 40.11 H new ATOM 0 HG23 VAL A 51 -3.802 -1.950 5.351 1.00 40.11 H new ATOM 769 N ILE A 52 -4.838 1.212 5.660 1.00 3.43 N ATOM 770 CA ILE A 52 -4.370 2.483 6.069 1.00 63.21 C ATOM 771 C ILE A 52 -2.868 2.430 6.026 1.00 73.10 C ATOM 772 O ILE A 52 -2.270 1.473 6.510 1.00 0.01 O ATOM 773 CB ILE A 52 -4.846 2.783 7.507 1.00 14.35 C ATOM 774 CG1 ILE A 52 -6.380 2.722 7.561 1.00 31.13 C ATOM 775 CG2 ILE A 52 -4.340 4.149 7.973 1.00 4.54 C ATOM 776 CD1 ILE A 52 -6.958 2.834 8.943 1.00 13.23 C ATOM 0 H ILE A 52 -4.582 0.460 6.299 1.00 3.43 H new ATOM 0 HA ILE A 52 -4.752 3.268 5.417 1.00 63.21 H new ATOM 0 HB ILE A 52 -4.436 2.031 8.181 1.00 14.35 H new ATOM 0 HG12 ILE A 52 -6.785 3.525 6.945 1.00 31.13 H new ATOM 0 HG13 ILE A 52 -6.710 1.782 7.118 1.00 31.13 H new ATOM 0 HG21 ILE A 52 -4.688 4.339 8.988 1.00 4.54 H new ATOM 0 HG22 ILE A 52 -3.250 4.159 7.955 1.00 4.54 H new ATOM 0 HG23 ILE A 52 -4.721 4.924 7.308 1.00 4.54 H new ATOM 0 HD11 ILE A 52 -8.045 2.782 8.888 1.00 13.23 H new ATOM 0 HD12 ILE A 52 -6.586 2.016 9.560 1.00 13.23 H new ATOM 0 HD13 ILE A 52 -6.663 3.786 9.385 1.00 13.23 H new ATOM 788 N PHE A 53 -2.267 3.404 5.435 1.00 44.43 N ATOM 789 CA PHE A 53 -0.834 3.429 5.316 1.00 43.01 C ATOM 790 C PHE A 53 -0.354 4.839 5.381 1.00 12.35 C ATOM 791 O PHE A 53 -1.155 5.767 5.546 1.00 75.14 O ATOM 792 CB PHE A 53 -0.382 2.787 3.978 1.00 14.10 C ATOM 793 CG PHE A 53 -0.967 3.430 2.741 1.00 61.41 C ATOM 794 CD1 PHE A 53 -2.226 3.080 2.292 1.00 70.01 C ATOM 795 CD2 PHE A 53 -0.245 4.374 2.022 1.00 43.14 C ATOM 796 CE1 PHE A 53 -2.753 3.651 1.161 1.00 62.52 C ATOM 797 CE2 PHE A 53 -0.771 4.947 0.889 1.00 74.31 C ATOM 798 CZ PHE A 53 -2.026 4.584 0.456 1.00 53.22 C ATOM 0 H PHE A 53 -2.743 4.205 5.020 1.00 44.43 H new ATOM 0 HA PHE A 53 -0.406 2.855 6.138 1.00 43.01 H new ATOM 0 HB2 PHE A 53 0.705 2.835 3.916 1.00 14.10 H new ATOM 0 HB3 PHE A 53 -0.655 1.732 3.986 1.00 14.10 H new ATOM 0 HD1 PHE A 53 -2.802 2.348 2.838 1.00 70.01 H new ATOM 0 HD2 PHE A 53 0.741 4.661 2.357 1.00 43.14 H new ATOM 0 HE1 PHE A 53 -3.739 3.368 0.823 1.00 62.52 H new ATOM 0 HE2 PHE A 53 -0.200 5.681 0.339 1.00 74.31 H new ATOM 0 HZ PHE A 53 -2.440 5.031 -0.436 1.00 53.22 H new ATOM 808 N ASP A 54 0.921 5.005 5.261 1.00 13.43 N ATOM 809 CA ASP A 54 1.506 6.305 5.163 1.00 12.10 C ATOM 810 C ASP A 54 2.251 6.330 3.875 1.00 2.24 C ATOM 811 O ASP A 54 2.580 5.267 3.325 1.00 34.23 O ATOM 812 CB ASP A 54 2.446 6.634 6.336 1.00 64.41 C ATOM 813 CG ASP A 54 1.756 6.648 7.688 1.00 1.11 C ATOM 814 OD1 ASP A 54 1.031 7.609 8.005 1.00 34.14 O ATOM 815 OD2 ASP A 54 1.961 5.717 8.468 1.00 65.22 O ATOM 0 H ASP A 54 1.593 4.238 5.228 1.00 13.43 H new ATOM 0 HA ASP A 54 0.723 7.062 5.202 1.00 12.10 H new ATOM 0 HB2 ASP A 54 3.254 5.903 6.358 1.00 64.41 H new ATOM 0 HB3 ASP A 54 2.903 7.608 6.161 1.00 64.41 H new ATOM 820 N LEU A 55 2.503 7.478 3.364 1.00 25.41 N ATOM 821 CA LEU A 55 3.158 7.576 2.107 1.00 30.11 C ATOM 822 C LEU A 55 4.340 8.501 2.139 1.00 41.04 C ATOM 823 O LEU A 55 4.243 9.695 2.490 1.00 63.14 O ATOM 824 CB LEU A 55 2.167 7.941 1.010 1.00 13.42 C ATOM 825 CG LEU A 55 2.707 8.188 -0.400 1.00 55.22 C ATOM 826 CD1 LEU A 55 3.558 7.032 -0.851 1.00 31.21 C ATOM 827 CD2 LEU A 55 1.543 8.376 -1.369 1.00 4.24 C ATOM 0 H LEU A 55 2.265 8.370 3.797 1.00 25.41 H new ATOM 0 HA LEU A 55 3.564 6.591 1.875 1.00 30.11 H new ATOM 0 HB2 LEU A 55 1.429 7.141 0.948 1.00 13.42 H new ATOM 0 HB3 LEU A 55 1.637 8.840 1.326 1.00 13.42 H new ATOM 0 HG LEU A 55 3.321 9.088 -0.385 1.00 55.22 H new ATOM 0 HD11 LEU A 55 3.933 7.226 -1.856 1.00 31.21 H new ATOM 0 HD12 LEU A 55 4.398 6.910 -0.168 1.00 31.21 H new ATOM 0 HD13 LEU A 55 2.960 6.121 -0.857 1.00 31.21 H new ATOM 0 HD21 LEU A 55 1.930 8.552 -2.373 1.00 4.24 H new ATOM 0 HD22 LEU A 55 0.923 7.480 -1.371 1.00 4.24 H new ATOM 0 HD23 LEU A 55 0.944 9.231 -1.056 1.00 4.24 H new ATOM 839 N GLU A 56 5.434 7.940 1.771 1.00 15.00 N ATOM 840 CA GLU A 56 6.688 8.614 1.653 1.00 11.44 C ATOM 841 C GLU A 56 7.125 8.510 0.221 1.00 20.05 C ATOM 842 O GLU A 56 6.878 7.487 -0.438 1.00 30.22 O ATOM 843 CB GLU A 56 7.730 7.967 2.563 1.00 52.32 C ATOM 844 CG GLU A 56 7.396 8.063 4.032 1.00 4.11 C ATOM 845 CD GLU A 56 8.398 7.354 4.905 1.00 72.42 C ATOM 846 OE1 GLU A 56 9.466 7.931 5.201 1.00 75.30 O ATOM 847 OE2 GLU A 56 8.136 6.205 5.313 1.00 34.32 O ATOM 0 H GLU A 56 5.488 6.950 1.531 1.00 15.00 H new ATOM 0 HA GLU A 56 6.585 9.657 1.951 1.00 11.44 H new ATOM 0 HB2 GLU A 56 7.835 6.917 2.291 1.00 52.32 H new ATOM 0 HB3 GLU A 56 8.696 8.440 2.388 1.00 52.32 H new ATOM 0 HG2 GLU A 56 7.347 9.113 4.321 1.00 4.11 H new ATOM 0 HG3 GLU A 56 6.407 7.639 4.204 1.00 4.11 H new ATOM 854 N GLU A 57 7.740 9.530 -0.280 1.00 4.04 N ATOM 855 CA GLU A 57 8.184 9.494 -1.637 1.00 41.11 C ATOM 856 C GLU A 57 9.557 8.910 -1.720 1.00 60.31 C ATOM 857 O GLU A 57 10.403 9.148 -0.854 1.00 70.33 O ATOM 858 CB GLU A 57 8.136 10.852 -2.320 1.00 65.13 C ATOM 859 CG GLU A 57 6.744 11.428 -2.478 1.00 22.55 C ATOM 860 CD GLU A 57 6.740 12.671 -3.331 1.00 63.14 C ATOM 861 OE1 GLU A 57 6.640 12.551 -4.568 1.00 74.40 O ATOM 862 OE2 GLU A 57 6.827 13.786 -2.788 1.00 32.14 O ATOM 0 H GLU A 57 7.946 10.393 0.224 1.00 4.04 H new ATOM 0 HA GLU A 57 7.485 8.855 -2.177 1.00 41.11 H new ATOM 0 HB2 GLU A 57 8.743 11.554 -1.748 1.00 65.13 H new ATOM 0 HB3 GLU A 57 8.593 10.765 -3.306 1.00 65.13 H new ATOM 0 HG2 GLU A 57 6.091 10.679 -2.926 1.00 22.55 H new ATOM 0 HG3 GLU A 57 6.335 11.662 -1.495 1.00 22.55 H new ATOM 869 N LYS A 58 9.774 8.140 -2.736 1.00 71.41 N ATOM 870 CA LYS A 58 11.038 7.504 -2.953 1.00 53.33 C ATOM 871 C LYS A 58 11.905 8.490 -3.712 1.00 53.23 C ATOM 872 O LYS A 58 12.937 8.950 -3.224 1.00 41.13 O ATOM 873 CB LYS A 58 10.800 6.251 -3.808 1.00 12.22 C ATOM 874 CG LYS A 58 12.004 5.337 -4.091 1.00 10.40 C ATOM 875 CD LYS A 58 12.386 4.402 -2.923 1.00 41.33 C ATOM 876 CE LYS A 58 12.958 5.105 -1.697 1.00 50.00 C ATOM 877 NZ LYS A 58 13.330 4.132 -0.645 1.00 43.32 N ATOM 0 H LYS A 58 9.074 7.931 -3.447 1.00 71.41 H new ATOM 0 HA LYS A 58 11.519 7.217 -2.018 1.00 53.33 H new ATOM 0 HB2 LYS A 58 10.033 5.652 -3.318 1.00 12.22 H new ATOM 0 HB3 LYS A 58 10.391 6.572 -4.766 1.00 12.22 H new ATOM 0 HG2 LYS A 58 11.785 4.730 -4.969 1.00 10.40 H new ATOM 0 HG3 LYS A 58 12.865 5.958 -4.340 1.00 10.40 H new ATOM 0 HD2 LYS A 58 11.501 3.841 -2.622 1.00 41.33 H new ATOM 0 HD3 LYS A 58 13.117 3.677 -3.282 1.00 41.33 H new ATOM 0 HE2 LYS A 58 13.834 5.686 -1.984 1.00 50.00 H new ATOM 0 HE3 LYS A 58 12.224 5.808 -1.303 1.00 50.00 H new ATOM 0 HZ1 LYS A 58 14.188 4.459 -0.157 1.00 43.32 H new ATOM 0 HZ2 LYS A 58 12.553 4.048 0.041 1.00 43.32 H new ATOM 0 HZ3 LYS A 58 13.511 3.204 -1.079 1.00 43.32 H new ATOM 891 N GLN A 59 11.414 8.816 -4.880 1.00 42.03 N ATOM 892 CA GLN A 59 11.986 9.739 -5.836 1.00 31.03 C ATOM 893 C GLN A 59 11.171 9.573 -7.085 1.00 5.23 C ATOM 894 O GLN A 59 11.452 8.712 -7.910 1.00 4.43 O ATOM 895 CB GLN A 59 13.463 9.441 -6.143 1.00 51.31 C ATOM 896 CG GLN A 59 14.089 10.414 -7.124 1.00 34.42 C ATOM 897 CD GLN A 59 14.071 11.838 -6.616 1.00 23.23 C ATOM 898 OE1 GLN A 59 13.125 12.587 -6.851 1.00 73.33 O ATOM 899 NE2 GLN A 59 15.101 12.222 -5.928 1.00 73.42 N ATOM 0 H GLN A 59 10.538 8.415 -5.216 1.00 42.03 H new ATOM 0 HA GLN A 59 11.962 10.753 -5.437 1.00 31.03 H new ATOM 0 HB2 GLN A 59 14.030 9.462 -5.212 1.00 51.31 H new ATOM 0 HB3 GLN A 59 13.545 8.431 -6.544 1.00 51.31 H new ATOM 0 HG2 GLN A 59 15.118 10.115 -7.321 1.00 34.42 H new ATOM 0 HG3 GLN A 59 13.555 10.363 -8.073 1.00 34.42 H new ATOM 0 HE21 GLN A 59 15.868 11.573 -5.753 1.00 73.42 H new ATOM 0 HE22 GLN A 59 15.144 13.173 -5.562 1.00 73.42 H new ATOM 908 N GLY A 60 10.083 10.293 -7.156 1.00 55.34 N ATOM 909 CA GLY A 60 9.155 10.139 -8.254 1.00 4.10 C ATOM 910 C GLY A 60 8.243 8.941 -8.036 1.00 3.11 C ATOM 911 O GLY A 60 7.104 8.918 -8.484 1.00 62.40 O ATOM 0 H GLY A 60 9.814 10.995 -6.467 1.00 55.34 H new ATOM 0 HA2 GLY A 60 8.555 11.043 -8.356 1.00 4.10 H new ATOM 0 HA3 GLY A 60 9.707 10.015 -9.186 1.00 4.10 H new ATOM 915 N LYS A 61 8.761 7.951 -7.341 1.00 30.23 N ATOM 916 CA LYS A 61 8.038 6.763 -7.028 1.00 31.14 C ATOM 917 C LYS A 61 7.382 6.952 -5.676 1.00 42.51 C ATOM 918 O LYS A 61 7.955 7.601 -4.784 1.00 21.40 O ATOM 919 CB LYS A 61 8.995 5.566 -6.994 1.00 60.42 C ATOM 920 CG LYS A 61 9.781 5.390 -8.273 1.00 3.41 C ATOM 921 CD LYS A 61 8.869 5.172 -9.462 1.00 53.42 C ATOM 922 CE LYS A 61 9.669 5.129 -10.728 1.00 71.20 C ATOM 923 NZ LYS A 61 8.833 4.862 -11.904 1.00 34.04 N ATOM 0 H LYS A 61 9.714 7.961 -6.977 1.00 30.23 H new ATOM 0 HA LYS A 61 7.278 6.570 -7.785 1.00 31.14 H new ATOM 0 HB2 LYS A 61 9.690 5.689 -6.163 1.00 60.42 H new ATOM 0 HB3 LYS A 61 8.423 4.659 -6.800 1.00 60.42 H new ATOM 0 HG2 LYS A 61 10.400 6.271 -8.445 1.00 3.41 H new ATOM 0 HG3 LYS A 61 10.457 4.541 -8.172 1.00 3.41 H new ATOM 0 HD2 LYS A 61 8.317 4.240 -9.340 1.00 53.42 H new ATOM 0 HD3 LYS A 61 8.132 5.974 -9.516 1.00 53.42 H new ATOM 0 HE2 LYS A 61 10.187 6.079 -10.861 1.00 71.20 H new ATOM 0 HE3 LYS A 61 10.434 4.357 -10.646 1.00 71.20 H new ATOM 0 HZ1 LYS A 61 9.429 4.841 -12.756 1.00 34.04 H new ATOM 0 HZ2 LYS A 61 8.358 3.944 -11.791 1.00 34.04 H new ATOM 0 HZ3 LYS A 61 8.118 5.612 -11.999 1.00 34.04 H new ATOM 937 N ALA A 62 6.221 6.407 -5.521 1.00 23.24 N ATOM 938 CA ALA A 62 5.452 6.551 -4.310 1.00 14.23 C ATOM 939 C ALA A 62 5.027 5.185 -3.834 1.00 20.01 C ATOM 940 O ALA A 62 4.335 4.469 -4.555 1.00 34.44 O ATOM 941 CB ALA A 62 4.230 7.430 -4.586 1.00 33.31 C ATOM 0 H ALA A 62 5.766 5.840 -6.236 1.00 23.24 H new ATOM 0 HA ALA A 62 6.054 7.026 -3.535 1.00 14.23 H new ATOM 0 HB1 ALA A 62 3.647 7.540 -3.672 1.00 33.31 H new ATOM 0 HB2 ALA A 62 4.558 8.412 -4.928 1.00 33.31 H new ATOM 0 HB3 ALA A 62 3.614 6.965 -5.355 1.00 33.31 H new ATOM 947 N TYR A 63 5.430 4.814 -2.638 1.00 51.53 N ATOM 948 CA TYR A 63 5.100 3.502 -2.128 1.00 12.11 C ATOM 949 C TYR A 63 4.489 3.556 -0.748 1.00 0.42 C ATOM 950 O TYR A 63 4.926 4.320 0.120 1.00 40.43 O ATOM 951 CB TYR A 63 6.293 2.532 -2.184 1.00 23.51 C ATOM 952 CG TYR A 63 7.519 2.922 -1.384 1.00 23.55 C ATOM 953 CD1 TYR A 63 8.269 4.042 -1.713 1.00 51.03 C ATOM 954 CD2 TYR A 63 7.939 2.149 -0.312 1.00 62.34 C ATOM 955 CE1 TYR A 63 9.390 4.380 -0.999 1.00 54.32 C ATOM 956 CE2 TYR A 63 9.066 2.486 0.412 1.00 64.22 C ATOM 957 CZ TYR A 63 9.787 3.602 0.061 1.00 75.11 C ATOM 958 OH TYR A 63 10.919 3.941 0.769 1.00 41.01 O ATOM 0 H TYR A 63 5.981 5.396 -2.007 1.00 51.53 H new ATOM 0 HA TYR A 63 4.337 3.104 -2.796 1.00 12.11 H new ATOM 0 HB2 TYR A 63 5.955 1.556 -1.837 1.00 23.51 H new ATOM 0 HB3 TYR A 63 6.589 2.415 -3.227 1.00 23.51 H new ATOM 0 HD1 TYR A 63 7.965 4.658 -2.546 1.00 51.03 H new ATOM 0 HD2 TYR A 63 7.376 1.269 -0.039 1.00 62.34 H new ATOM 0 HE1 TYR A 63 9.960 5.257 -1.270 1.00 54.32 H new ATOM 0 HE2 TYR A 63 9.378 1.877 1.248 1.00 64.22 H new ATOM 0 HH TYR A 63 11.062 3.290 1.488 1.00 41.01 H new ATOM 968 N ALA A 64 3.463 2.764 -0.579 1.00 53.34 N ATOM 969 CA ALA A 64 2.724 2.651 0.659 1.00 73.25 C ATOM 970 C ALA A 64 3.562 1.969 1.704 1.00 50.10 C ATOM 971 O ALA A 64 4.127 0.891 1.468 1.00 74.44 O ATOM 972 CB ALA A 64 1.450 1.865 0.415 1.00 43.24 C ATOM 0 H ALA A 64 3.105 2.160 -1.319 1.00 53.34 H new ATOM 0 HA ALA A 64 2.469 3.648 1.018 1.00 73.25 H new ATOM 0 HB1 ALA A 64 0.892 1.779 1.347 1.00 43.24 H new ATOM 0 HB2 ALA A 64 0.840 2.381 -0.327 1.00 43.24 H new ATOM 0 HB3 ALA A 64 1.701 0.869 0.049 1.00 43.24 H new ATOM 978 N VAL A 65 3.638 2.592 2.847 1.00 35.42 N ATOM 979 CA VAL A 65 4.413 2.096 3.959 1.00 43.53 C ATOM 980 C VAL A 65 3.558 2.114 5.202 1.00 11.10 C ATOM 981 O VAL A 65 2.506 2.740 5.203 1.00 71.33 O ATOM 982 CB VAL A 65 5.719 2.925 4.207 1.00 33.20 C ATOM 983 CG1 VAL A 65 6.647 2.860 3.012 1.00 21.05 C ATOM 984 CG2 VAL A 65 5.406 4.373 4.558 1.00 12.14 C ATOM 0 H VAL A 65 3.158 3.471 3.039 1.00 35.42 H new ATOM 0 HA VAL A 65 4.723 1.080 3.716 1.00 43.53 H new ATOM 0 HB VAL A 65 6.226 2.474 5.060 1.00 33.20 H new ATOM 0 HG11 VAL A 65 7.544 3.445 3.216 1.00 21.05 H new ATOM 0 HG12 VAL A 65 6.925 1.823 2.823 1.00 21.05 H new ATOM 0 HG13 VAL A 65 6.141 3.265 2.136 1.00 21.05 H new ATOM 0 HG21 VAL A 65 6.336 4.917 4.723 1.00 12.14 H new ATOM 0 HG22 VAL A 65 4.856 4.835 3.738 1.00 12.14 H new ATOM 0 HG23 VAL A 65 4.801 4.405 5.464 1.00 12.14 H new ATOM 994 N ASN A 66 4.014 1.429 6.247 1.00 73.50 N ATOM 995 CA ASN A 66 3.297 1.353 7.534 1.00 1.40 C ATOM 996 C ASN A 66 1.878 0.833 7.328 1.00 33.23 C ATOM 997 O ASN A 66 0.900 1.557 7.533 1.00 54.24 O ATOM 998 CB ASN A 66 3.253 2.720 8.232 1.00 42.14 C ATOM 999 CG ASN A 66 2.731 2.638 9.666 1.00 44.34 C ATOM 1000 OD1 ASN A 66 2.906 1.621 10.354 1.00 35.52 O ATOM 1001 ND2 ASN A 66 2.110 3.689 10.128 1.00 23.00 N ATOM 0 H ASN A 66 4.891 0.908 6.234 1.00 73.50 H new ATOM 0 HA ASN A 66 3.843 0.659 8.173 1.00 1.40 H new ATOM 0 HB2 ASN A 66 4.254 3.151 8.239 1.00 42.14 H new ATOM 0 HB3 ASN A 66 2.619 3.395 7.658 1.00 42.14 H new ATOM 0 HD21 ASN A 66 1.751 3.691 11.083 1.00 23.00 H new ATOM 0 HD22 ASN A 66 1.984 4.509 9.534 1.00 23.00 H new ATOM 1008 N LEU A 67 1.758 -0.389 6.862 1.00 2.12 N ATOM 1009 CA LEU A 67 0.448 -0.900 6.561 1.00 11.22 C ATOM 1010 C LEU A 67 -0.322 -1.294 7.789 1.00 11.21 C ATOM 1011 O LEU A 67 0.187 -1.969 8.696 1.00 21.35 O ATOM 1012 CB LEU A 67 0.445 -2.036 5.563 1.00 11.23 C ATOM 1013 CG LEU A 67 1.041 -1.761 4.189 1.00 22.04 C ATOM 1014 CD1 LEU A 67 0.668 -2.859 3.293 1.00 70.14 C ATOM 1015 CD2 LEU A 67 0.569 -0.448 3.614 1.00 25.53 C ATOM 0 H LEU A 67 2.532 -1.031 6.688 1.00 2.12 H new ATOM 0 HA LEU A 67 -0.059 -0.057 6.091 1.00 11.22 H new ATOM 0 HB2 LEU A 67 0.986 -2.873 6.004 1.00 11.23 H new ATOM 0 HB3 LEU A 67 -0.586 -2.360 5.424 1.00 11.23 H new ATOM 0 HG LEU A 67 2.124 -1.693 4.291 1.00 22.04 H new ATOM 0 HD11 LEU A 67 1.087 -2.679 2.303 1.00 70.14 H new ATOM 0 HD12 LEU A 67 1.058 -3.798 3.686 1.00 70.14 H new ATOM 0 HD13 LEU A 67 -0.418 -2.918 3.222 1.00 70.14 H new ATOM 0 HD21 LEU A 67 1.021 -0.297 2.634 1.00 25.53 H new ATOM 0 HD22 LEU A 67 -0.516 -0.464 3.515 1.00 25.53 H new ATOM 0 HD23 LEU A 67 0.861 0.366 4.278 1.00 25.53 H new ATOM 1027 N ARG A 68 -1.533 -0.867 7.803 1.00 72.35 N ATOM 1028 CA ARG A 68 -2.458 -1.089 8.839 1.00 13.30 C ATOM 1029 C ARG A 68 -3.782 -1.423 8.211 1.00 14.25 C ATOM 1030 O ARG A 68 -4.211 -0.723 7.332 1.00 33.14 O ATOM 1031 CB ARG A 68 -2.613 0.219 9.571 1.00 31.22 C ATOM 1032 CG ARG A 68 -1.426 0.664 10.374 1.00 33.21 C ATOM 1033 CD ARG A 68 -1.620 2.077 10.856 1.00 23.24 C ATOM 1034 NE ARG A 68 -2.800 2.225 11.714 1.00 50.02 N ATOM 1035 CZ ARG A 68 -3.452 3.375 11.907 1.00 1.30 C ATOM 1036 NH1 ARG A 68 -3.054 4.484 11.288 1.00 51.10 N ATOM 1037 NH2 ARG A 68 -4.508 3.413 12.716 1.00 62.13 N ATOM 0 H ARG A 68 -1.923 -0.318 7.037 1.00 72.35 H new ATOM 0 HA ARG A 68 -2.133 -1.889 9.505 1.00 13.30 H new ATOM 0 HB2 ARG A 68 -2.847 0.996 8.843 1.00 31.22 H new ATOM 0 HB3 ARG A 68 -3.471 0.140 10.239 1.00 31.22 H new ATOM 0 HG2 ARG A 68 -1.285 -0.002 11.226 1.00 33.21 H new ATOM 0 HG3 ARG A 68 -0.523 0.601 9.767 1.00 33.21 H new ATOM 0 HD2 ARG A 68 -0.734 2.394 11.406 1.00 23.24 H new ATOM 0 HD3 ARG A 68 -1.716 2.740 9.996 1.00 23.24 H new ATOM 0 HE ARG A 68 -3.146 1.395 12.195 1.00 50.02 H new ATOM 0 HH11 ARG A 68 -2.248 4.458 10.663 1.00 51.10 H new ATOM 0 HH12 ARG A 68 -3.555 5.360 11.438 1.00 51.10 H new ATOM 0 HH21 ARG A 68 -4.819 2.564 13.188 1.00 62.13 H new ATOM 0 HH22 ARG A 68 -5.006 4.291 12.864 1.00 62.13 H new ATOM 1051 N ILE A 69 -4.430 -2.461 8.638 1.00 24.00 N ATOM 1052 CA ILE A 69 -5.737 -2.747 8.084 1.00 33.51 C ATOM 1053 C ILE A 69 -6.778 -1.794 8.648 1.00 74.41 C ATOM 1054 O ILE A 69 -6.632 -1.327 9.783 1.00 14.53 O ATOM 1055 CB ILE A 69 -6.168 -4.258 8.205 1.00 41.45 C ATOM 1056 CG1 ILE A 69 -6.044 -4.844 9.641 1.00 53.23 C ATOM 1057 CG2 ILE A 69 -5.409 -5.114 7.218 1.00 34.02 C ATOM 1058 CD1 ILE A 69 -7.025 -4.302 10.662 1.00 34.35 C ATOM 0 H ILE A 69 -4.097 -3.114 9.347 1.00 24.00 H new ATOM 0 HA ILE A 69 -5.665 -2.573 7.010 1.00 33.51 H new ATOM 0 HB ILE A 69 -7.231 -4.277 7.965 1.00 41.45 H new ATOM 0 HG12 ILE A 69 -6.169 -5.925 9.584 1.00 53.23 H new ATOM 0 HG13 ILE A 69 -5.033 -4.658 10.003 1.00 53.23 H new ATOM 0 HG21 ILE A 69 -5.723 -6.153 7.320 1.00 34.02 H new ATOM 0 HG22 ILE A 69 -5.615 -4.770 6.204 1.00 34.02 H new ATOM 0 HG23 ILE A 69 -4.340 -5.037 7.416 1.00 34.02 H new ATOM 0 HD11 ILE A 69 -6.848 -4.779 11.626 1.00 34.35 H new ATOM 0 HD12 ILE A 69 -6.890 -3.225 10.760 1.00 34.35 H new ATOM 0 HD13 ILE A 69 -8.043 -4.512 10.335 1.00 34.35 H new ATOM 1070 N LYS A 70 -7.759 -1.442 7.836 1.00 72.30 N ATOM 1071 CA LYS A 70 -8.851 -0.606 8.281 1.00 15.23 C ATOM 1072 C LYS A 70 -9.640 -1.353 9.349 1.00 43.33 C ATOM 1073 O LYS A 70 -10.505 -2.187 8.973 1.00 36.28 O ATOM 1074 CB LYS A 70 -9.794 -0.273 7.120 1.00 21.13 C ATOM 1075 CG LYS A 70 -10.839 0.763 7.482 1.00 14.42 C ATOM 1076 CD LYS A 70 -11.895 0.992 6.388 1.00 23.41 C ATOM 1077 CE LYS A 70 -13.011 -0.088 6.353 1.00 2.42 C ATOM 1078 NZ LYS A 70 -12.558 -1.469 6.017 1.00 24.33 N ATOM 1079 OXT LYS A 70 -9.415 -1.127 10.534 1.00 36.28 O ATOM 0 H LYS A 70 -7.818 -1.727 6.858 1.00 72.30 H new ATOM 0 HA LYS A 70 -8.439 0.322 8.678 1.00 15.23 H new ATOM 0 HB2 LYS A 70 -9.208 0.091 6.276 1.00 21.13 H new ATOM 0 HB3 LYS A 70 -10.293 -1.185 6.792 1.00 21.13 H new ATOM 0 HG2 LYS A 70 -11.341 0.453 8.399 1.00 14.42 H new ATOM 0 HG3 LYS A 70 -10.340 1.708 7.695 1.00 14.42 H new ATOM 0 HD2 LYS A 70 -12.354 1.969 6.539 1.00 23.41 H new ATOM 0 HD3 LYS A 70 -11.399 1.019 5.418 1.00 23.41 H new ATOM 0 HE2 LYS A 70 -13.500 -0.112 7.327 1.00 2.42 H new ATOM 0 HE3 LYS A 70 -13.764 0.216 5.626 1.00 2.42 H new ATOM 0 HZ1 LYS A 70 -13.284 -2.153 6.310 1.00 24.33 H new ATOM 0 HZ2 LYS A 70 -12.405 -1.544 4.991 1.00 24.33 H new ATOM 0 HZ3 LYS A 70 -11.669 -1.674 6.516 1.00 24.33 H new TER 1093 LYS A 70