USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 501 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: C 20 THR OG1 : rot -120:sc= -0.3 USER MOD Set 1.2: C 22 THR OG1 : rot 180:sc= 0.00347 USER MOD Set 2.1: C 16 TYR OH : rot 94:sc= 0.218 USER MOD Set 2.2: C 18 SER OG : rot 180:sc= -0.119 USER MOD Single : C 9 THR OG1 : rot 22:sc= 0.81 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 176:sc= -2.8! USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.462 K(o=-0.46,f=-3.7!) USER MOD Single : C 36 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.053) USER MOD Single : C 37 ASN :FLIP amide:sc= -1.5 F(o=-2.7,f=-1.5) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS :FLIP no HE2:sc= -8.27 F(o=-9!,f=-8.3) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 49:sc= 0.957 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : C 52 GLN : amide:sc= -0.42 K(o=-0.42,f=-2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 59:sc= 1.04 USER MOD Single : C 59 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.013) USER MOD Single : C 60 TYR OH : rot -8:sc= 0.255 USER MOD Single : C 64 SER OG : rot 180:sc= -0.328 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 14.498 28.736 -7.975 1.00 0.00 N ATOM 2 CA THR C 9 14.812 28.834 -6.521 1.00 0.00 C ATOM 3 C THR C 9 13.719 28.127 -5.715 1.00 0.00 C ATOM 4 O THR C 9 12.635 28.644 -5.533 1.00 0.00 O ATOM 5 CB THR C 9 14.875 30.308 -6.112 1.00 0.00 C ATOM 6 OG1 THR C 9 14.669 31.124 -7.256 1.00 0.00 O ATOM 7 CG2 THR C 9 16.245 30.612 -5.504 1.00 0.00 C ATOM 0 HA THR C 9 15.774 28.360 -6.323 1.00 0.00 H new ATOM 0 HB THR C 9 14.100 30.515 -5.374 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.195 30.610 -7.943 1.00 0.00 H new ATOM 0 HG21 THR C 9 16.289 31.662 -5.213 1.00 0.00 H new ATOM 0 HG22 THR C 9 16.401 29.985 -4.626 1.00 0.00 H new ATOM 0 HG23 THR C 9 17.023 30.406 -6.239 1.00 0.00 H new ATOM 15 N PHE C 10 13.996 26.946 -5.233 1.00 0.00 N ATOM 16 CA PHE C 10 12.975 26.206 -4.440 1.00 0.00 C ATOM 17 C PHE C 10 13.328 26.281 -2.953 1.00 0.00 C ATOM 18 O PHE C 10 14.463 26.519 -2.586 1.00 0.00 O ATOM 19 CB PHE C 10 12.951 24.741 -4.883 1.00 0.00 C ATOM 20 CG PHE C 10 11.826 24.534 -5.898 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.507 25.531 -6.802 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.114 23.348 -5.925 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.491 25.345 -7.717 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.099 23.163 -6.841 1.00 0.00 C ATOM 25 CZ PHE C 10 9.788 24.162 -7.737 1.00 0.00 C ATOM 0 H PHE C 10 14.886 26.462 -5.354 1.00 0.00 H new ATOM 0 HA PHE C 10 11.995 26.654 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.909 24.468 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.801 24.091 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.056 26.461 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.354 22.562 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.247 26.129 -8.419 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.548 22.234 -6.856 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.994 24.017 -8.454 1.00 0.00 H new ATOM 35 N VAL C 11 12.365 26.078 -2.095 1.00 0.00 N ATOM 36 CA VAL C 11 12.643 26.137 -0.632 1.00 0.00 C ATOM 37 C VAL C 11 12.492 24.737 -0.031 1.00 0.00 C ATOM 38 O VAL C 11 11.636 23.972 -0.426 1.00 0.00 O ATOM 39 CB VAL C 11 11.650 27.090 0.038 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.273 27.659 1.315 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.317 28.235 -0.920 1.00 0.00 C ATOM 0 H VAL C 11 11.397 25.874 -2.345 1.00 0.00 H new ATOM 0 HA VAL C 11 13.658 26.497 -0.467 1.00 0.00 H new ATOM 0 HB VAL C 11 10.738 26.548 0.288 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.567 28.338 1.793 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.512 26.844 1.998 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.185 28.201 1.065 1.00 0.00 H new ATOM 0 HG21 VAL C 11 10.610 28.914 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.229 28.777 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL C 11 10.875 27.831 -1.830 1.00 0.00 H new ATOM 51 N ALA C 12 13.315 24.396 0.921 1.00 0.00 N ATOM 52 CA ALA C 12 13.216 23.045 1.541 1.00 0.00 C ATOM 53 C ALA C 12 12.261 23.086 2.736 1.00 0.00 C ATOM 54 O ALA C 12 12.613 23.539 3.808 1.00 0.00 O ATOM 55 CB ALA C 12 14.600 22.601 2.013 1.00 0.00 C ATOM 0 H ALA C 12 14.051 24.994 1.296 1.00 0.00 H new ATOM 0 HA ALA C 12 12.834 22.340 0.802 1.00 0.00 H new ATOM 0 HB1 ALA C 12 14.530 21.613 2.467 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.280 22.562 1.162 1.00 0.00 H new ATOM 0 HB3 ALA C 12 14.979 23.312 2.747 1.00 0.00 H new ATOM 61 N LEU C 13 11.057 22.616 2.563 1.00 0.00 N ATOM 62 CA LEU C 13 10.082 22.626 3.689 1.00 0.00 C ATOM 63 C LEU C 13 10.585 21.715 4.803 1.00 0.00 C ATOM 64 O LEU C 13 10.750 22.128 5.934 1.00 0.00 O ATOM 65 CB LEU C 13 8.728 22.109 3.206 1.00 0.00 C ATOM 66 CG LEU C 13 8.225 22.978 2.054 1.00 0.00 C ATOM 67 CD1 LEU C 13 6.816 22.532 1.663 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.192 24.442 2.498 1.00 0.00 C ATOM 0 H LEU C 13 10.706 22.225 1.689 1.00 0.00 H new ATOM 0 HA LEU C 13 9.976 23.646 4.058 1.00 0.00 H new ATOM 0 HB2 LEU C 13 8.819 21.073 2.880 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.009 22.123 4.025 1.00 0.00 H new ATOM 0 HG LEU C 13 8.892 22.873 1.198 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.454 23.150 0.841 1.00 0.00 H new ATOM 0 HD12 LEU C 13 6.839 21.488 1.350 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.150 22.640 2.519 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.833 25.063 1.677 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.523 24.548 3.352 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.196 24.759 2.781 1.00 0.00 H new ATOM 80 N TYR C 14 10.833 20.472 4.491 1.00 0.00 N ATOM 81 CA TYR C 14 11.324 19.526 5.533 1.00 0.00 C ATOM 82 C TYR C 14 12.844 19.389 5.424 1.00 0.00 C ATOM 83 O TYR C 14 13.399 19.344 4.344 1.00 0.00 O ATOM 84 CB TYR C 14 10.665 18.154 5.331 1.00 0.00 C ATOM 85 CG TYR C 14 9.175 18.332 4.999 1.00 0.00 C ATOM 86 CD1 TYR C 14 8.524 19.519 5.276 1.00 0.00 C ATOM 87 CD2 TYR C 14 8.468 17.314 4.393 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.197 19.687 4.949 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.137 17.480 4.067 1.00 0.00 C ATOM 90 CZ TYR C 14 6.491 18.669 4.344 1.00 0.00 C ATOM 91 OH TYR C 14 5.160 18.836 4.019 1.00 0.00 O ATOM 0 H TYR C 14 10.717 20.071 3.560 1.00 0.00 H new ATOM 0 HA TYR C 14 11.067 19.908 6.521 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.164 17.616 4.525 1.00 0.00 H new ATOM 0 HB3 TYR C 14 10.776 17.551 6.233 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.062 20.324 5.754 1.00 0.00 H new ATOM 0 HD2 TYR C 14 8.960 16.379 4.172 1.00 0.00 H new ATOM 0 HE1 TYR C 14 6.705 20.623 5.168 1.00 0.00 H new ATOM 0 HE2 TYR C 14 6.597 16.674 3.592 1.00 0.00 H new ATOM 0 HH TYR C 14 4.821 18.018 3.599 1.00 0.00 H new ATOM 101 N ASP C 15 13.522 19.324 6.538 1.00 0.00 N ATOM 102 CA ASP C 15 15.003 19.191 6.506 1.00 0.00 C ATOM 103 C ASP C 15 15.389 17.874 5.832 1.00 0.00 C ATOM 104 O ASP C 15 15.003 16.805 6.264 1.00 0.00 O ATOM 105 CB ASP C 15 15.541 19.209 7.938 1.00 0.00 C ATOM 106 CG ASP C 15 14.613 18.396 8.844 1.00 0.00 C ATOM 107 OD1 ASP C 15 13.825 17.629 8.316 1.00 0.00 O ATOM 108 OD2 ASP C 15 14.706 18.557 10.050 1.00 0.00 O ATOM 0 H ASP C 15 13.111 19.358 7.471 1.00 0.00 H new ATOM 0 HA ASP C 15 15.430 20.020 5.942 1.00 0.00 H new ATOM 0 HB2 ASP C 15 16.548 18.793 7.964 1.00 0.00 H new ATOM 0 HB3 ASP C 15 15.611 20.235 8.298 1.00 0.00 H new ATOM 113 N TYR C 16 16.151 17.941 4.775 1.00 0.00 N ATOM 114 CA TYR C 16 16.564 16.695 4.070 1.00 0.00 C ATOM 115 C TYR C 16 17.980 16.314 4.505 1.00 0.00 C ATOM 116 O TYR C 16 18.941 16.983 4.181 1.00 0.00 O ATOM 117 CB TYR C 16 16.537 16.936 2.559 1.00 0.00 C ATOM 118 CG TYR C 16 17.063 15.698 1.829 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.794 14.432 2.308 1.00 0.00 C ATOM 120 CD2 TYR C 16 17.809 15.831 0.676 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.263 13.317 1.644 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.278 14.717 0.010 1.00 0.00 C ATOM 123 CZ TYR C 16 18.008 13.451 0.490 1.00 0.00 C ATOM 124 OH TYR C 16 18.479 12.335 -0.174 1.00 0.00 O ATOM 0 H TYR C 16 16.506 18.807 4.369 1.00 0.00 H new ATOM 0 HA TYR C 16 15.878 15.886 4.320 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.520 17.157 2.234 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.147 17.804 2.309 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.212 14.313 3.210 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.028 16.816 0.291 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.045 12.332 2.030 1.00 0.00 H new ATOM 0 HE2 TYR C 16 18.860 14.836 -0.892 1.00 0.00 H new ATOM 0 HH TYR C 16 17.848 12.084 -0.880 1.00 0.00 H new ATOM 134 N GLU C 17 18.116 15.242 5.238 1.00 0.00 N ATOM 135 CA GLU C 17 19.471 14.820 5.693 1.00 0.00 C ATOM 136 C GLU C 17 19.828 13.473 5.060 1.00 0.00 C ATOM 137 O GLU C 17 19.866 12.456 5.724 1.00 0.00 O ATOM 138 CB GLU C 17 19.476 14.684 7.218 1.00 0.00 C ATOM 139 CG GLU C 17 20.920 14.667 7.724 1.00 0.00 C ATOM 140 CD GLU C 17 20.922 14.573 9.252 1.00 0.00 C ATOM 141 OE1 GLU C 17 20.283 15.403 9.878 1.00 0.00 O ATOM 142 OE2 GLU C 17 21.561 13.672 9.769 1.00 0.00 O ATOM 0 H GLU C 17 17.349 14.642 5.541 1.00 0.00 H new ATOM 0 HA GLU C 17 20.204 15.568 5.391 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.931 15.513 7.669 1.00 0.00 H new ATOM 0 HB3 GLU C 17 18.965 13.768 7.514 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.457 13.821 7.296 1.00 0.00 H new ATOM 0 HG3 GLU C 17 21.440 15.570 7.403 1.00 0.00 H new ATOM 149 N SER C 18 20.089 13.457 3.782 1.00 0.00 N ATOM 150 CA SER C 18 20.444 12.176 3.111 1.00 0.00 C ATOM 151 C SER C 18 21.499 11.441 3.939 1.00 0.00 C ATOM 152 O SER C 18 22.064 11.986 4.865 1.00 0.00 O ATOM 153 CB SER C 18 21.004 12.468 1.718 1.00 0.00 C ATOM 154 OG SER C 18 21.519 11.271 1.153 1.00 0.00 O ATOM 0 H SER C 18 20.072 14.276 3.174 1.00 0.00 H new ATOM 0 HA SER C 18 19.553 11.554 3.022 1.00 0.00 H new ATOM 0 HB2 SER C 18 20.222 12.877 1.079 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.790 13.220 1.781 1.00 0.00 H new ATOM 0 HG SER C 18 21.876 11.458 0.260 1.00 0.00 H new ATOM 160 N ARG C 19 21.769 10.207 3.613 1.00 0.00 N ATOM 161 CA ARG C 19 22.789 9.439 4.383 1.00 0.00 C ATOM 162 C ARG C 19 23.976 9.111 3.475 1.00 0.00 C ATOM 163 O ARG C 19 24.983 8.594 3.916 1.00 0.00 O ATOM 164 CB ARG C 19 22.170 8.136 4.900 1.00 0.00 C ATOM 165 CG ARG C 19 20.675 8.340 5.156 1.00 0.00 C ATOM 166 CD ARG C 19 19.872 7.700 4.021 1.00 0.00 C ATOM 167 NE ARG C 19 18.690 6.989 4.587 1.00 0.00 N ATOM 168 CZ ARG C 19 18.071 6.080 3.882 1.00 0.00 C ATOM 169 NH1 ARG C 19 18.482 5.789 2.677 1.00 0.00 N ATOM 170 NH2 ARG C 19 17.038 5.460 4.384 1.00 0.00 N ATOM 0 H ARG C 19 21.328 9.697 2.847 1.00 0.00 H new ATOM 0 HA ARG C 19 23.130 10.039 5.227 1.00 0.00 H new ATOM 0 HB2 ARG C 19 22.318 7.338 4.172 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.667 7.826 5.819 1.00 0.00 H new ATOM 0 HG2 ARG C 19 20.394 7.895 6.111 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.448 9.404 5.222 1.00 0.00 H new ATOM 0 HD2 ARG C 19 19.546 8.465 3.316 1.00 0.00 H new ATOM 0 HD3 ARG C 19 20.499 7.001 3.467 1.00 0.00 H new ATOM 0 HE ARG C 19 18.364 7.213 5.527 1.00 0.00 H new ATOM 0 HH11 ARG C 19 19.289 6.272 2.283 1.00 0.00 H new ATOM 0 HH12 ARG C 19 17.996 5.079 2.130 1.00 0.00 H new ATOM 0 HH21 ARG C 19 16.716 5.686 5.325 1.00 0.00 H new ATOM 0 HH22 ARG C 19 16.553 4.750 3.835 1.00 0.00 H new ATOM 184 N THR C 20 23.868 9.408 2.208 1.00 0.00 N ATOM 185 CA THR C 20 24.993 9.112 1.276 1.00 0.00 C ATOM 186 C THR C 20 25.603 10.423 0.778 1.00 0.00 C ATOM 187 O THR C 20 25.046 11.488 0.962 1.00 0.00 O ATOM 188 CB THR C 20 24.470 8.307 0.085 1.00 0.00 C ATOM 189 OG1 THR C 20 25.486 8.213 -0.904 1.00 0.00 O ATOM 190 CG2 THR C 20 23.243 9.003 -0.505 1.00 0.00 C ATOM 0 H THR C 20 23.051 9.842 1.779 1.00 0.00 H new ATOM 0 HA THR C 20 25.755 8.534 1.799 1.00 0.00 H new ATOM 0 HB THR C 20 24.192 7.307 0.416 1.00 0.00 H new ATOM 0 HG1 THR C 20 25.166 8.611 -1.740 1.00 0.00 H new ATOM 0 HG21 THR C 20 22.872 8.428 -1.353 1.00 0.00 H new ATOM 0 HG22 THR C 20 22.464 9.073 0.254 1.00 0.00 H new ATOM 0 HG23 THR C 20 23.517 10.004 -0.837 1.00 0.00 H new ATOM 198 N GLU C 21 26.742 10.356 0.148 1.00 0.00 N ATOM 199 CA GLU C 21 27.389 11.594 -0.362 1.00 0.00 C ATOM 200 C GLU C 21 26.864 11.904 -1.765 1.00 0.00 C ATOM 201 O GLU C 21 27.453 12.669 -2.503 1.00 0.00 O ATOM 202 CB GLU C 21 28.903 11.388 -0.418 1.00 0.00 C ATOM 203 CG GLU C 21 29.214 10.001 -0.984 1.00 0.00 C ATOM 204 CD GLU C 21 30.350 10.107 -2.002 1.00 0.00 C ATOM 205 OE1 GLU C 21 30.285 10.988 -2.844 1.00 0.00 O ATOM 206 OE2 GLU C 21 31.267 9.307 -1.923 1.00 0.00 O ATOM 0 H GLU C 21 27.254 9.493 -0.036 1.00 0.00 H new ATOM 0 HA GLU C 21 27.158 12.426 0.303 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.362 12.157 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.331 11.489 0.580 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.496 9.323 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.326 9.582 -1.457 1.00 0.00 H new ATOM 213 N THR C 22 25.760 11.318 -2.141 1.00 0.00 N ATOM 214 CA THR C 22 25.200 11.581 -3.496 1.00 0.00 C ATOM 215 C THR C 22 24.315 12.829 -3.450 1.00 0.00 C ATOM 216 O THR C 22 24.730 13.908 -3.820 1.00 0.00 O ATOM 217 CB THR C 22 24.367 10.379 -3.945 1.00 0.00 C ATOM 218 OG1 THR C 22 25.200 9.230 -4.023 1.00 0.00 O ATOM 219 CG2 THR C 22 23.755 10.664 -5.316 1.00 0.00 C ATOM 0 H THR C 22 25.222 10.668 -1.568 1.00 0.00 H new ATOM 0 HA THR C 22 26.015 11.741 -4.201 1.00 0.00 H new ATOM 0 HB THR C 22 23.569 10.200 -3.225 1.00 0.00 H new ATOM 0 HG1 THR C 22 24.667 8.459 -4.309 1.00 0.00 H new ATOM 0 HG21 THR C 22 23.162 9.807 -5.635 1.00 0.00 H new ATOM 0 HG22 THR C 22 23.116 11.545 -5.253 1.00 0.00 H new ATOM 0 HG23 THR C 22 24.550 10.844 -6.039 1.00 0.00 H new ATOM 227 N ASP C 23 23.098 12.688 -3.000 1.00 0.00 N ATOM 228 CA ASP C 23 22.188 13.866 -2.931 1.00 0.00 C ATOM 229 C ASP C 23 22.709 14.845 -1.877 1.00 0.00 C ATOM 230 O ASP C 23 23.388 14.463 -0.944 1.00 0.00 O ATOM 231 CB ASP C 23 20.779 13.409 -2.545 1.00 0.00 C ATOM 232 CG ASP C 23 20.500 12.027 -3.145 1.00 0.00 C ATOM 233 OD1 ASP C 23 20.847 11.046 -2.509 1.00 0.00 O ATOM 234 OD2 ASP C 23 19.940 11.976 -4.227 1.00 0.00 O ATOM 0 H ASP C 23 22.695 11.808 -2.677 1.00 0.00 H new ATOM 0 HA ASP C 23 22.155 14.355 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP C 23 20.684 13.371 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.042 14.127 -2.905 1.00 0.00 H new ATOM 239 N LEU C 24 22.396 16.102 -2.016 1.00 0.00 N ATOM 240 CA LEU C 24 22.873 17.102 -1.020 1.00 0.00 C ATOM 241 C LEU C 24 21.880 17.181 0.139 1.00 0.00 C ATOM 242 O LEU C 24 20.703 16.927 -0.021 1.00 0.00 O ATOM 243 CB LEU C 24 22.991 18.472 -1.698 1.00 0.00 C ATOM 244 CG LEU C 24 24.319 18.576 -2.467 1.00 0.00 C ATOM 245 CD1 LEU C 24 25.414 19.077 -1.526 1.00 0.00 C ATOM 246 CD2 LEU C 24 24.724 17.206 -3.029 1.00 0.00 C ATOM 0 H LEU C 24 21.831 16.481 -2.776 1.00 0.00 H new ATOM 0 HA LEU C 24 23.848 16.803 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU C 24 22.155 18.620 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU C 24 22.934 19.262 -0.949 1.00 0.00 H new ATOM 0 HG LEU C 24 24.190 19.274 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU C 24 26.356 19.151 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU C 24 25.140 20.059 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.528 18.379 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU C 24 25.666 17.299 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU C 24 24.844 16.498 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU C 24 23.950 16.848 -3.707 1.00 0.00 H new ATOM 258 N SER C 25 22.344 17.530 1.306 1.00 0.00 N ATOM 259 CA SER C 25 21.426 17.624 2.475 1.00 0.00 C ATOM 260 C SER C 25 21.158 19.094 2.802 1.00 0.00 C ATOM 261 O SER C 25 22.070 19.885 2.943 1.00 0.00 O ATOM 262 CB SER C 25 22.069 16.943 3.685 1.00 0.00 C ATOM 263 OG SER C 25 21.568 15.619 3.807 1.00 0.00 O ATOM 0 H SER C 25 23.320 17.754 1.501 1.00 0.00 H new ATOM 0 HA SER C 25 20.485 17.129 2.235 1.00 0.00 H new ATOM 0 HB2 SER C 25 23.153 16.924 3.571 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.854 17.509 4.591 1.00 0.00 H new ATOM 0 HG SER C 25 22.028 15.162 4.542 1.00 0.00 H new ATOM 269 N PHE C 26 19.913 19.468 2.922 1.00 0.00 N ATOM 270 CA PHE C 26 19.589 20.888 3.241 1.00 0.00 C ATOM 271 C PHE C 26 18.704 20.942 4.488 1.00 0.00 C ATOM 272 O PHE C 26 18.163 19.945 4.920 1.00 0.00 O ATOM 273 CB PHE C 26 18.847 21.524 2.064 1.00 0.00 C ATOM 274 CG PHE C 26 17.750 20.577 1.576 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.520 20.560 2.202 1.00 0.00 C ATOM 276 CD2 PHE C 26 17.971 19.736 0.500 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.522 19.715 1.763 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.972 18.890 0.060 1.00 0.00 C ATOM 279 CZ PHE C 26 15.748 18.880 0.691 1.00 0.00 C ATOM 0 H PHE C 26 19.107 18.852 2.813 1.00 0.00 H new ATOM 0 HA PHE C 26 20.513 21.436 3.425 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.411 22.476 2.368 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.544 21.737 1.254 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.337 21.214 3.042 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.929 19.741 0.002 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.563 19.708 2.260 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.151 18.235 -0.780 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.967 18.219 0.346 1.00 0.00 H new ATOM 289 N LYS C 27 18.553 22.102 5.070 1.00 0.00 N ATOM 290 CA LYS C 27 17.704 22.219 6.289 1.00 0.00 C ATOM 291 C LYS C 27 16.362 22.857 5.919 1.00 0.00 C ATOM 292 O LYS C 27 16.070 23.083 4.761 1.00 0.00 O ATOM 293 CB LYS C 27 18.416 23.092 7.323 1.00 0.00 C ATOM 294 CG LYS C 27 19.925 22.847 7.246 1.00 0.00 C ATOM 295 CD LYS C 27 20.627 23.631 8.357 1.00 0.00 C ATOM 296 CE LYS C 27 20.500 22.870 9.678 1.00 0.00 C ATOM 297 NZ LYS C 27 21.564 23.323 10.618 1.00 0.00 N ATOM 0 H LYS C 27 18.981 22.972 4.754 1.00 0.00 H new ATOM 0 HA LYS C 27 17.531 21.227 6.707 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.198 24.144 7.139 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.050 22.861 8.323 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.137 21.783 7.348 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.305 23.156 6.272 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.678 23.774 8.107 1.00 0.00 H new ATOM 0 HD3 LYS C 27 20.184 24.623 8.452 1.00 0.00 H new ATOM 0 HE2 LYS C 27 19.517 23.042 10.115 1.00 0.00 H new ATOM 0 HE3 LYS C 27 20.588 21.798 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 21.477 22.805 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 22.498 23.138 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 21.460 24.343 10.795 1.00 0.00 H new ATOM 311 N LYS C 28 15.545 23.149 6.894 1.00 0.00 N ATOM 312 CA LYS C 28 14.224 23.773 6.598 1.00 0.00 C ATOM 313 C LYS C 28 14.416 25.263 6.313 1.00 0.00 C ATOM 314 O LYS C 28 14.715 26.041 7.196 1.00 0.00 O ATOM 315 CB LYS C 28 13.295 23.597 7.802 1.00 0.00 C ATOM 316 CG LYS C 28 12.044 24.457 7.611 1.00 0.00 C ATOM 317 CD LYS C 28 10.894 23.876 8.438 1.00 0.00 C ATOM 318 CE LYS C 28 9.565 24.445 7.934 1.00 0.00 C ATOM 319 NZ LYS C 28 8.440 23.617 8.454 1.00 0.00 N ATOM 0 H LYS C 28 15.735 22.983 7.882 1.00 0.00 H new ATOM 0 HA LYS C 28 13.782 23.292 5.726 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.016 22.549 7.909 1.00 0.00 H new ATOM 0 HB3 LYS C 28 13.811 23.885 8.718 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.245 25.483 7.918 1.00 0.00 H new ATOM 0 HG3 LYS C 28 11.769 24.488 6.557 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.889 22.789 8.360 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.030 24.120 9.492 1.00 0.00 H new ATOM 0 HE2 LYS C 28 9.452 25.478 8.262 1.00 0.00 H new ATOM 0 HE3 LYS C 28 9.551 24.453 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 7.537 24.004 8.112 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 8.546 22.638 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 8.450 23.631 9.494 1.00 0.00 H new ATOM 333 N GLY C 29 14.248 25.666 5.083 1.00 0.00 N ATOM 334 CA GLY C 29 14.422 27.106 4.741 1.00 0.00 C ATOM 335 C GLY C 29 15.591 27.256 3.765 1.00 0.00 C ATOM 336 O GLY C 29 15.810 28.310 3.200 1.00 0.00 O ATOM 0 H GLY C 29 13.998 25.061 4.301 1.00 0.00 H new ATOM 0 HA2 GLY C 29 13.508 27.499 4.295 1.00 0.00 H new ATOM 0 HA3 GLY C 29 14.611 27.686 5.644 1.00 0.00 H new ATOM 340 N GLU C 30 16.347 26.210 3.563 1.00 0.00 N ATOM 341 CA GLU C 30 17.500 26.295 2.624 1.00 0.00 C ATOM 342 C GLU C 30 16.986 26.585 1.213 1.00 0.00 C ATOM 343 O GLU C 30 15.898 26.186 0.844 1.00 0.00 O ATOM 344 CB GLU C 30 18.262 24.968 2.626 1.00 0.00 C ATOM 345 CG GLU C 30 19.564 25.126 1.837 1.00 0.00 C ATOM 346 CD GLU C 30 20.506 26.066 2.591 1.00 0.00 C ATOM 347 OE1 GLU C 30 20.128 26.522 3.658 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.590 26.314 2.090 1.00 0.00 O ATOM 0 H GLU C 30 16.215 25.302 4.008 1.00 0.00 H new ATOM 0 HA GLU C 30 18.168 27.096 2.941 1.00 0.00 H new ATOM 0 HB2 GLU C 30 18.479 24.663 3.650 1.00 0.00 H new ATOM 0 HB3 GLU C 30 17.649 24.183 2.183 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.038 24.154 1.698 1.00 0.00 H new ATOM 0 HG3 GLU C 30 19.354 25.524 0.844 1.00 0.00 H new ATOM 355 N ARG C 31 17.756 27.277 0.420 1.00 0.00 N ATOM 356 CA ARG C 31 17.308 27.590 -0.966 1.00 0.00 C ATOM 357 C ARG C 31 18.242 26.909 -1.968 1.00 0.00 C ATOM 358 O ARG C 31 19.446 26.912 -1.812 1.00 0.00 O ATOM 359 CB ARG C 31 17.340 29.104 -1.182 1.00 0.00 C ATOM 360 CG ARG C 31 16.158 29.745 -0.454 1.00 0.00 C ATOM 361 CD ARG C 31 16.593 31.082 0.153 1.00 0.00 C ATOM 362 NE ARG C 31 15.390 31.830 0.616 1.00 0.00 N ATOM 363 CZ ARG C 31 14.609 32.419 -0.250 1.00 0.00 C ATOM 364 NH1 ARG C 31 14.881 32.358 -1.527 1.00 0.00 N ATOM 365 NH2 ARG C 31 13.555 33.069 0.161 1.00 0.00 N ATOM 0 H ARG C 31 18.676 27.639 0.672 1.00 0.00 H new ATOM 0 HA ARG C 31 16.291 27.225 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.278 29.516 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.293 29.332 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.332 29.901 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.796 29.079 0.329 1.00 0.00 H new ATOM 0 HD2 ARG C 31 17.272 30.911 0.988 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.138 31.669 -0.586 1.00 0.00 H new ATOM 0 HE ARG C 31 15.176 31.882 1.612 1.00 0.00 H new ATOM 0 HH11 ARG C 31 15.705 31.850 -1.849 1.00 0.00 H new ATOM 0 HH12 ARG C 31 14.270 32.819 -2.201 1.00 0.00 H new ATOM 0 HH21 ARG C 31 13.342 33.117 1.157 1.00 0.00 H new ATOM 0 HH22 ARG C 31 12.944 33.529 -0.514 1.00 0.00 H new ATOM 379 N LEU C 32 17.694 26.325 -2.999 1.00 0.00 N ATOM 380 CA LEU C 32 18.552 25.643 -4.009 1.00 0.00 C ATOM 381 C LEU C 32 18.073 26.005 -5.417 1.00 0.00 C ATOM 382 O LEU C 32 17.173 26.801 -5.593 1.00 0.00 O ATOM 383 CB LEU C 32 18.463 24.128 -3.814 1.00 0.00 C ATOM 384 CG LEU C 32 18.904 23.771 -2.392 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.679 23.382 -1.561 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.881 22.594 -2.440 1.00 0.00 C ATOM 0 H LEU C 32 16.692 26.291 -3.185 1.00 0.00 H new ATOM 0 HA LEU C 32 19.585 25.966 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.442 23.788 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU C 32 19.096 23.619 -4.541 1.00 0.00 H new ATOM 0 HG LEU C 32 19.394 24.632 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.992 23.128 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.982 24.220 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU C 32 17.189 22.521 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU C 32 20.195 22.340 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.391 21.733 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.754 22.870 -3.032 1.00 0.00 H new ATOM 398 N GLN C 33 18.670 25.423 -6.420 1.00 0.00 N ATOM 399 CA GLN C 33 18.255 25.728 -7.818 1.00 0.00 C ATOM 400 C GLN C 33 17.694 24.462 -8.464 1.00 0.00 C ATOM 401 O GLN C 33 18.374 23.776 -9.202 1.00 0.00 O ATOM 402 CB GLN C 33 19.466 26.215 -8.616 1.00 0.00 C ATOM 403 CG GLN C 33 19.018 27.258 -9.641 1.00 0.00 C ATOM 404 CD GLN C 33 19.674 26.962 -10.992 1.00 0.00 C ATOM 405 OE1 GLN C 33 20.355 25.967 -11.145 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.496 27.788 -11.986 1.00 0.00 N ATOM 0 H GLN C 33 19.429 24.748 -6.331 1.00 0.00 H new ATOM 0 HA GLN C 33 17.491 26.505 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN C 33 20.208 26.646 -7.944 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.943 25.375 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.933 27.242 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN C 33 19.293 28.257 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN C 33 18.925 28.623 -11.859 1.00 0.00 H new ATOM 0 HE22 GLN C 33 19.928 27.598 -12.890 1.00 0.00 H new ATOM 415 N ILE C 34 16.459 24.143 -8.192 1.00 0.00 N ATOM 416 CA ILE C 34 15.857 22.921 -8.790 1.00 0.00 C ATOM 417 C ILE C 34 16.064 22.939 -10.307 1.00 0.00 C ATOM 418 O ILE C 34 15.972 23.969 -10.946 1.00 0.00 O ATOM 419 CB ILE C 34 14.359 22.881 -8.469 1.00 0.00 C ATOM 420 CG1 ILE C 34 14.165 22.457 -7.013 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.658 21.873 -9.385 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.704 21.038 -6.819 1.00 0.00 C ATOM 0 H ILE C 34 15.841 24.677 -7.581 1.00 0.00 H new ATOM 0 HA ILE C 34 16.337 22.035 -8.374 1.00 0.00 H new ATOM 0 HB ILE C 34 13.931 23.871 -8.627 1.00 0.00 H new ATOM 0 HG12 ILE C 34 14.684 23.149 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE C 34 13.108 22.495 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.593 21.849 -9.152 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.795 22.169 -10.425 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.086 20.882 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE C 34 14.566 20.735 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE C 34 14.165 20.352 -7.472 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.766 21.015 -7.066 1.00 0.00 H new ATOM 434 N VAL C 35 16.340 21.803 -10.883 1.00 0.00 N ATOM 435 CA VAL C 35 16.555 21.740 -12.355 1.00 0.00 C ATOM 436 C VAL C 35 15.392 20.984 -13.000 1.00 0.00 C ATOM 437 O VAL C 35 15.012 21.248 -14.123 1.00 0.00 O ATOM 438 CB VAL C 35 17.866 21.009 -12.647 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.088 20.948 -14.160 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.025 21.762 -11.992 1.00 0.00 C ATOM 0 H VAL C 35 16.426 20.911 -10.395 1.00 0.00 H new ATOM 0 HA VAL C 35 16.606 22.749 -12.763 1.00 0.00 H new ATOM 0 HB VAL C 35 17.817 19.997 -12.245 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.022 20.427 -14.370 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.261 20.413 -14.628 1.00 0.00 H new ATOM 0 HG13 VAL C 35 18.139 21.960 -14.561 1.00 0.00 H new ATOM 0 HG21 VAL C 35 19.960 21.242 -12.199 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.075 22.774 -12.395 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.867 21.808 -10.915 1.00 0.00 H new ATOM 450 N ASN C 36 14.828 20.044 -12.295 1.00 0.00 N ATOM 451 CA ASN C 36 13.690 19.264 -12.857 1.00 0.00 C ATOM 452 C ASN C 36 12.558 19.211 -11.828 1.00 0.00 C ATOM 453 O ASN C 36 12.782 19.344 -10.642 1.00 0.00 O ATOM 454 CB ASN C 36 14.156 17.842 -13.178 1.00 0.00 C ATOM 455 CG ASN C 36 13.113 17.147 -14.056 1.00 0.00 C ATOM 456 OD1 ASN C 36 13.127 17.287 -15.262 1.00 0.00 O ATOM 457 ND2 ASN C 36 12.203 16.398 -13.496 1.00 0.00 N ATOM 0 H ASN C 36 15.107 19.781 -11.350 1.00 0.00 H new ATOM 0 HA ASN C 36 13.333 19.742 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.117 17.870 -13.691 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.303 17.280 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN C 36 11.503 15.930 -14.071 1.00 0.00 H new ATOM 0 HD22 ASN C 36 12.192 16.281 -12.483 1.00 0.00 H new ATOM 464 N ASN C 37 11.345 19.022 -12.269 1.00 0.00 N ATOM 465 CA ASN C 37 10.211 18.963 -11.305 1.00 0.00 C ATOM 466 C ASN C 37 8.892 18.801 -12.065 1.00 0.00 C ATOM 467 O ASN C 37 8.458 19.691 -12.768 1.00 0.00 O ATOM 468 CB ASN C 37 10.171 20.256 -10.487 1.00 0.00 C ATOM 469 CG ASN C 37 10.202 21.459 -11.432 1.00 0.00 C ATOM 470 OD1 ASN C 37 11.352 21.925 -11.838 1.00 0.00 O flip ATOM 471 ND2 ASN C 37 9.171 21.981 -11.806 1.00 0.00 N flip ATOM 0 H ASN C 37 11.091 18.906 -13.250 1.00 0.00 H new ATOM 0 HA ASN C 37 10.349 18.111 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.269 20.284 -9.875 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.020 20.294 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN C 37 8.272 21.618 -11.490 1.00 0.00 H new ATOM 0 HD22 ASN C 37 9.204 22.782 -12.436 1.00 0.00 H new ATOM 478 N THR C 38 8.252 17.671 -11.929 1.00 0.00 N ATOM 479 CA THR C 38 6.965 17.459 -12.645 1.00 0.00 C ATOM 480 C THR C 38 6.331 16.143 -12.191 1.00 0.00 C ATOM 481 O THR C 38 5.145 16.067 -11.938 1.00 0.00 O ATOM 482 CB THR C 38 7.216 17.421 -14.157 1.00 0.00 C ATOM 483 OG1 THR C 38 5.991 17.635 -14.844 1.00 0.00 O ATOM 484 CG2 THR C 38 7.796 16.060 -14.557 1.00 0.00 C ATOM 0 H THR C 38 8.565 16.889 -11.354 1.00 0.00 H new ATOM 0 HA THR C 38 6.286 18.280 -12.415 1.00 0.00 H new ATOM 0 HB THR C 38 7.927 18.203 -14.422 1.00 0.00 H new ATOM 0 HG1 THR C 38 6.150 17.613 -15.811 1.00 0.00 H new ATOM 0 HG21 THR C 38 7.971 16.041 -15.633 1.00 0.00 H new ATOM 0 HG22 THR C 38 8.738 15.898 -14.033 1.00 0.00 H new ATOM 0 HG23 THR C 38 7.092 15.272 -14.290 1.00 0.00 H new ATOM 492 N GLU C 39 7.112 15.106 -12.085 1.00 0.00 N ATOM 493 CA GLU C 39 6.554 13.795 -11.648 1.00 0.00 C ATOM 494 C GLU C 39 7.643 12.984 -10.946 1.00 0.00 C ATOM 495 O GLU C 39 7.397 12.314 -9.963 1.00 0.00 O ATOM 496 CB GLU C 39 6.050 13.025 -12.869 1.00 0.00 C ATOM 497 CG GLU C 39 4.548 12.771 -12.728 1.00 0.00 C ATOM 498 CD GLU C 39 3.877 12.913 -14.095 1.00 0.00 C ATOM 499 OE1 GLU C 39 4.584 13.166 -15.057 1.00 0.00 O ATOM 500 OE2 GLU C 39 2.667 12.765 -14.158 1.00 0.00 O ATOM 0 H GLU C 39 8.113 15.108 -12.282 1.00 0.00 H new ATOM 0 HA GLU C 39 5.728 13.964 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU C 39 6.250 13.592 -13.778 1.00 0.00 H new ATOM 0 HB3 GLU C 39 6.583 12.078 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU C 39 4.373 11.773 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU C 39 4.113 13.479 -12.022 1.00 0.00 H new ATOM 507 N GLY C 40 8.846 13.040 -11.445 1.00 0.00 N ATOM 508 CA GLY C 40 9.953 12.272 -10.807 1.00 0.00 C ATOM 509 C GLY C 40 9.905 12.475 -9.291 1.00 0.00 C ATOM 510 O GLY C 40 9.588 13.544 -8.809 1.00 0.00 O ATOM 0 H GLY C 40 9.111 13.584 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY C 40 9.860 11.213 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY C 40 10.914 12.604 -11.199 1.00 0.00 H new ATOM 514 N ASP C 41 10.217 11.458 -8.537 1.00 0.00 N ATOM 515 CA ASP C 41 10.188 11.595 -7.053 1.00 0.00 C ATOM 516 C ASP C 41 11.492 12.236 -6.573 1.00 0.00 C ATOM 517 O ASP C 41 11.637 12.576 -5.416 1.00 0.00 O ATOM 518 CB ASP C 41 10.033 10.214 -6.414 1.00 0.00 C ATOM 519 CG ASP C 41 9.134 10.322 -5.181 1.00 0.00 C ATOM 520 OD1 ASP C 41 8.676 11.417 -4.900 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.920 9.307 -4.538 1.00 0.00 O ATOM 0 H ASP C 41 10.491 10.538 -8.883 1.00 0.00 H new ATOM 0 HA ASP C 41 9.346 12.224 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP C 41 9.602 9.516 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP C 41 11.009 9.820 -6.132 1.00 0.00 H new ATOM 526 N TRP C 42 12.442 12.404 -7.451 1.00 0.00 N ATOM 527 CA TRP C 42 13.734 13.023 -7.041 1.00 0.00 C ATOM 528 C TRP C 42 14.195 14.000 -8.125 1.00 0.00 C ATOM 529 O TRP C 42 14.504 13.611 -9.233 1.00 0.00 O ATOM 530 CB TRP C 42 14.789 11.930 -6.857 1.00 0.00 C ATOM 531 CG TRP C 42 14.653 11.320 -5.461 1.00 0.00 C ATOM 532 CD1 TRP C 42 14.073 10.138 -5.188 1.00 0.00 C ATOM 533 CD2 TRP C 42 15.088 11.882 -4.336 1.00 0.00 C ATOM 534 NE1 TRP C 42 14.185 10.032 -3.863 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.805 11.074 -3.251 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.739 13.084 -4.148 1.00 0.00 C ATOM 537 CZ2 TRP C 42 15.172 11.469 -1.981 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.107 13.479 -2.878 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.823 12.672 -1.794 1.00 0.00 C ATOM 0 H TRP C 42 12.380 12.140 -8.434 1.00 0.00 H new ATOM 0 HA TRP C 42 13.599 13.558 -6.101 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.665 11.158 -7.616 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.787 12.348 -6.987 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.623 9.440 -5.878 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.831 9.227 -3.347 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.961 13.716 -4.995 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.950 10.837 -1.134 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.617 14.420 -2.732 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.110 12.982 -0.800 1.00 0.00 H new ATOM 550 N TRP C 43 14.244 15.268 -7.815 1.00 0.00 N ATOM 551 CA TRP C 43 14.685 16.263 -8.833 1.00 0.00 C ATOM 552 C TRP C 43 16.168 16.584 -8.629 1.00 0.00 C ATOM 553 O TRP C 43 16.741 16.304 -7.594 1.00 0.00 O ATOM 554 CB TRP C 43 13.867 17.547 -8.689 1.00 0.00 C ATOM 555 CG TRP C 43 12.372 17.223 -8.774 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.825 16.305 -9.590 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.421 17.822 -8.061 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.519 16.390 -9.327 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.180 17.309 -8.387 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.527 18.817 -7.112 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.048 17.793 -7.763 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.395 19.301 -6.488 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.156 18.788 -6.814 1.00 0.00 C ATOM 0 H TRP C 43 13.999 15.656 -6.904 1.00 0.00 H new ATOM 0 HA TRP C 43 14.534 15.846 -9.829 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.091 18.027 -7.736 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.140 18.253 -9.473 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.324 15.653 -10.292 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.827 15.807 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.497 19.218 -6.857 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.078 17.393 -8.018 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.479 20.081 -5.745 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.270 19.166 -6.326 1.00 0.00 H new ATOM 574 N LEU C 44 16.787 17.183 -9.608 1.00 0.00 N ATOM 575 CA LEU C 44 18.231 17.529 -9.486 1.00 0.00 C ATOM 576 C LEU C 44 18.372 19.041 -9.317 1.00 0.00 C ATOM 577 O LEU C 44 18.112 19.801 -10.223 1.00 0.00 O ATOM 578 CB LEU C 44 18.965 17.086 -10.753 1.00 0.00 C ATOM 579 CG LEU C 44 20.408 17.596 -10.719 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.271 16.735 -11.641 1.00 0.00 C ATOM 581 CD2 LEU C 44 20.451 19.049 -11.196 1.00 0.00 C ATOM 0 H LEU C 44 16.353 17.449 -10.492 1.00 0.00 H new ATOM 0 HA LEU C 44 18.661 17.023 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.955 15.999 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.454 17.472 -11.635 1.00 0.00 H new ATOM 0 HG LEU C 44 20.789 17.538 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.299 17.096 -11.619 1.00 0.00 H new ATOM 0 HD12 LEU C 44 21.243 15.699 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.887 16.795 -12.659 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.479 19.410 -11.171 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.070 19.109 -12.216 1.00 0.00 H new ATOM 0 HD23 LEU C 44 19.834 19.665 -10.542 1.00 0.00 H new ATOM 593 N ALA C 45 18.788 19.489 -8.167 1.00 0.00 N ATOM 594 CA ALA C 45 18.939 20.955 -7.956 1.00 0.00 C ATOM 595 C ALA C 45 20.419 21.313 -7.825 1.00 0.00 C ATOM 596 O ALA C 45 21.284 20.462 -7.865 1.00 0.00 O ATOM 597 CB ALA C 45 18.201 21.364 -6.681 1.00 0.00 C ATOM 0 H ALA C 45 19.030 18.906 -7.366 1.00 0.00 H new ATOM 0 HA ALA C 45 18.517 21.485 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.311 22.437 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.144 21.118 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.622 20.829 -5.830 1.00 0.00 H new ATOM 603 N HIS C 46 20.715 22.575 -7.672 1.00 0.00 N ATOM 604 CA HIS C 46 22.136 23.002 -7.537 1.00 0.00 C ATOM 605 C HIS C 46 22.290 23.840 -6.264 1.00 0.00 C ATOM 606 O HIS C 46 21.451 24.658 -5.944 1.00 0.00 O ATOM 607 CB HIS C 46 22.529 23.836 -8.759 1.00 0.00 C ATOM 608 CG HIS C 46 23.973 24.319 -8.617 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.579 25.457 -9.117 1.00 0.00 N flip ATOM 610 CD2 HIS C 46 24.889 23.711 -7.987 1.00 0.00 C flip ATOM 611 CE1 HIS C 46 25.870 25.479 -8.752 1.00 0.00 C flip ATOM 612 NE2 HIS C 46 25.989 24.362 -8.051 1.00 0.00 N flip ATOM 0 H HIS C 46 20.031 23.331 -7.635 1.00 0.00 H new ATOM 0 HA HIS C 46 22.784 22.128 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.423 23.241 -9.666 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.859 24.690 -8.858 1.00 0.00 H new ATOM 0 HD1 HIS C 46 24.115 26.171 -9.678 1.00 0.00 H new ATOM 0 HD2 HIS C 46 24.759 22.773 -7.468 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.623 26.221 -8.974 1.00 0.00 H new ATOM 620 N SER C 47 23.356 23.648 -5.537 1.00 0.00 N ATOM 621 CA SER C 47 23.557 24.435 -4.286 1.00 0.00 C ATOM 622 C SER C 47 24.141 25.812 -4.618 1.00 0.00 C ATOM 623 O SER C 47 24.564 26.540 -3.743 1.00 0.00 O ATOM 624 CB SER C 47 24.519 23.685 -3.362 1.00 0.00 C ATOM 625 OG SER C 47 24.025 22.373 -3.129 1.00 0.00 O ATOM 0 H SER C 47 24.096 22.981 -5.754 1.00 0.00 H new ATOM 0 HA SER C 47 22.595 24.566 -3.790 1.00 0.00 H new ATOM 0 HB2 SER C 47 25.510 23.637 -3.813 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.624 24.219 -2.417 1.00 0.00 H new ATOM 0 HG SER C 47 24.641 21.891 -2.539 1.00 0.00 H new ATOM 631 N LEU C 48 24.165 26.175 -5.871 1.00 0.00 N ATOM 632 CA LEU C 48 24.724 27.506 -6.253 1.00 0.00 C ATOM 633 C LEU C 48 26.008 27.772 -5.463 1.00 0.00 C ATOM 634 O LEU C 48 26.364 28.905 -5.206 1.00 0.00 O ATOM 635 CB LEU C 48 23.700 28.599 -5.937 1.00 0.00 C ATOM 636 CG LEU C 48 22.435 28.374 -6.767 1.00 0.00 C ATOM 637 CD1 LEU C 48 21.501 29.576 -6.609 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.813 28.213 -8.241 1.00 0.00 C ATOM 0 H LEU C 48 23.822 25.609 -6.647 1.00 0.00 H new ATOM 0 HA LEU C 48 24.947 27.510 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.457 28.587 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU C 48 24.121 29.580 -6.156 1.00 0.00 H new ATOM 0 HG LEU C 48 21.930 27.472 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU C 48 20.599 29.416 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU C 48 21.231 29.691 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU C 48 22.007 30.478 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.912 28.053 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.319 29.114 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.478 27.357 -8.355 1.00 0.00 H new ATOM 650 N THR C 49 26.708 26.740 -5.076 1.00 0.00 N ATOM 651 CA THR C 49 27.966 26.943 -4.304 1.00 0.00 C ATOM 652 C THR C 49 29.173 26.770 -5.239 1.00 0.00 C ATOM 653 O THR C 49 29.421 27.595 -6.094 1.00 0.00 O ATOM 654 CB THR C 49 28.031 25.929 -3.159 1.00 0.00 C ATOM 655 OG1 THR C 49 26.907 26.105 -2.308 1.00 0.00 O ATOM 656 CG2 THR C 49 29.317 26.141 -2.360 1.00 0.00 C ATOM 0 H THR C 49 26.463 25.767 -5.261 1.00 0.00 H new ATOM 0 HA THR C 49 27.984 27.949 -3.886 1.00 0.00 H new ATOM 0 HB THR C 49 28.023 24.918 -3.567 1.00 0.00 H new ATOM 0 HG1 THR C 49 26.091 26.145 -2.849 1.00 0.00 H new ATOM 0 HG21 THR C 49 29.362 25.419 -1.545 1.00 0.00 H new ATOM 0 HG22 THR C 49 30.178 26.005 -3.014 1.00 0.00 H new ATOM 0 HG23 THR C 49 29.329 27.151 -1.950 1.00 0.00 H new ATOM 664 N THR C 50 29.927 25.710 -5.089 1.00 0.00 N ATOM 665 CA THR C 50 31.107 25.511 -5.979 1.00 0.00 C ATOM 666 C THR C 50 30.682 24.715 -7.214 1.00 0.00 C ATOM 667 O THR C 50 31.497 24.121 -7.892 1.00 0.00 O ATOM 668 CB THR C 50 32.194 24.743 -5.225 1.00 0.00 C ATOM 669 OG1 THR C 50 31.587 23.800 -4.353 1.00 0.00 O ATOM 670 CG2 THR C 50 33.040 25.723 -4.411 1.00 0.00 C ATOM 0 H THR C 50 29.777 24.979 -4.393 1.00 0.00 H new ATOM 0 HA THR C 50 31.498 26.481 -6.287 1.00 0.00 H new ATOM 0 HB THR C 50 32.832 24.220 -5.938 1.00 0.00 H new ATOM 0 HG1 THR C 50 32.282 23.306 -3.870 1.00 0.00 H new ATOM 0 HG21 THR C 50 33.815 25.176 -3.874 1.00 0.00 H new ATOM 0 HG22 THR C 50 33.505 26.446 -5.081 1.00 0.00 H new ATOM 0 HG23 THR C 50 32.404 26.247 -3.697 1.00 0.00 H new ATOM 678 N GLY C 51 29.412 24.699 -7.512 1.00 0.00 N ATOM 679 CA GLY C 51 28.935 23.941 -8.702 1.00 0.00 C ATOM 680 C GLY C 51 28.557 22.520 -8.280 1.00 0.00 C ATOM 681 O GLY C 51 28.425 21.633 -9.099 1.00 0.00 O ATOM 0 H GLY C 51 28.684 25.178 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY C 51 28.074 24.442 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY C 51 29.714 23.911 -9.464 1.00 0.00 H new ATOM 685 N GLN C 52 28.383 22.299 -7.006 1.00 0.00 N ATOM 686 CA GLN C 52 28.014 20.936 -6.531 1.00 0.00 C ATOM 687 C GLN C 52 26.505 20.734 -6.682 1.00 0.00 C ATOM 688 O GLN C 52 25.712 21.519 -6.201 1.00 0.00 O ATOM 689 CB GLN C 52 28.402 20.788 -5.058 1.00 0.00 C ATOM 690 CG GLN C 52 29.886 20.434 -4.955 1.00 0.00 C ATOM 691 CD GLN C 52 30.041 19.074 -4.270 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.129 18.271 -4.277 1.00 0.00 O ATOM 693 NE2 GLN C 52 31.164 18.781 -3.675 1.00 0.00 N ATOM 0 H GLN C 52 28.480 23.003 -6.274 1.00 0.00 H new ATOM 0 HA GLN C 52 28.542 20.189 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN C 52 28.201 21.716 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN C 52 27.798 20.011 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN C 52 30.334 20.406 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN C 52 30.415 21.201 -4.389 1.00 0.00 H new ATOM 0 HE21 GLN C 52 31.929 19.455 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN C 52 31.277 17.877 -3.215 1.00 0.00 H new ATOM 702 N THR C 53 26.103 19.686 -7.346 1.00 0.00 N ATOM 703 CA THR C 53 24.647 19.431 -7.531 1.00 0.00 C ATOM 704 C THR C 53 24.138 18.571 -6.371 1.00 0.00 C ATOM 705 O THR C 53 24.906 18.022 -5.608 1.00 0.00 O ATOM 706 CB THR C 53 24.426 18.702 -8.868 1.00 0.00 C ATOM 707 OG1 THR C 53 24.334 19.660 -9.911 1.00 0.00 O ATOM 708 CG2 THR C 53 23.135 17.874 -8.825 1.00 0.00 C ATOM 0 H THR C 53 26.721 18.994 -7.769 1.00 0.00 H new ATOM 0 HA THR C 53 24.100 20.374 -7.545 1.00 0.00 H new ATOM 0 HB THR C 53 25.266 18.031 -9.046 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.195 19.201 -10.766 1.00 0.00 H new ATOM 0 HG21 THR C 53 22.996 17.366 -9.779 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.203 17.135 -8.027 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.287 18.532 -8.638 1.00 0.00 H new ATOM 716 N GLY C 54 22.846 18.451 -6.236 1.00 0.00 N ATOM 717 CA GLY C 54 22.283 17.631 -5.131 1.00 0.00 C ATOM 718 C GLY C 54 20.817 17.316 -5.429 1.00 0.00 C ATOM 719 O GLY C 54 19.974 18.190 -5.445 1.00 0.00 O ATOM 0 H GLY C 54 22.155 18.888 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.851 16.707 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.366 18.168 -4.186 1.00 0.00 H new ATOM 723 N TYR C 55 20.509 16.072 -5.675 1.00 0.00 N ATOM 724 CA TYR C 55 19.102 15.698 -5.972 1.00 0.00 C ATOM 725 C TYR C 55 18.259 15.878 -4.707 1.00 0.00 C ATOM 726 O TYR C 55 18.453 15.199 -3.721 1.00 0.00 O ATOM 727 CB TYR C 55 19.057 14.238 -6.419 1.00 0.00 C ATOM 728 CG TYR C 55 20.297 13.929 -7.261 1.00 0.00 C ATOM 729 CD1 TYR C 55 20.604 14.698 -8.365 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.129 12.881 -6.924 1.00 0.00 C ATOM 731 CE1 TYR C 55 21.726 14.424 -9.119 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.251 12.607 -7.679 1.00 0.00 C ATOM 733 CZ TYR C 55 22.559 13.377 -8.783 1.00 0.00 C ATOM 734 OH TYR C 55 23.681 13.101 -9.537 1.00 0.00 O ATOM 0 H TYR C 55 21.174 15.299 -5.683 1.00 0.00 H new ATOM 0 HA TYR C 55 18.706 16.332 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.020 13.581 -5.550 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.153 14.051 -6.999 1.00 0.00 H new ATOM 0 HD1 TYR C 55 19.961 15.521 -8.641 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.900 12.271 -6.063 1.00 0.00 H new ATOM 0 HE1 TYR C 55 21.954 15.035 -9.980 1.00 0.00 H new ATOM 0 HE2 TYR C 55 22.894 11.784 -7.404 1.00 0.00 H new ATOM 0 HH TYR C 55 24.151 12.331 -9.154 1.00 0.00 H new ATOM 744 N ILE C 56 17.325 16.786 -4.730 1.00 0.00 N ATOM 745 CA ILE C 56 16.475 17.005 -3.526 1.00 0.00 C ATOM 746 C ILE C 56 15.160 16.233 -3.675 1.00 0.00 C ATOM 747 O ILE C 56 14.651 16.086 -4.768 1.00 0.00 O ATOM 748 CB ILE C 56 16.176 18.498 -3.380 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.396 18.987 -4.602 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.492 19.271 -3.273 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.382 20.046 -4.169 1.00 0.00 C ATOM 0 H ILE C 56 17.113 17.385 -5.528 1.00 0.00 H new ATOM 0 HA ILE C 56 17.003 16.650 -2.641 1.00 0.00 H new ATOM 0 HB ILE C 56 15.581 18.663 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.081 19.404 -5.341 1.00 0.00 H new ATOM 0 HG13 ILE C 56 14.884 18.151 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.281 20.335 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.048 18.924 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.086 19.105 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE C 56 13.826 20.395 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE C 56 13.690 19.613 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.906 20.886 -3.713 1.00 0.00 H new ATOM 763 N PRO C 57 14.652 15.759 -2.564 1.00 0.00 N ATOM 764 CA PRO C 57 13.393 14.995 -2.542 1.00 0.00 C ATOM 765 C PRO C 57 12.240 15.868 -3.048 1.00 0.00 C ATOM 766 O PRO C 57 12.247 17.073 -2.892 1.00 0.00 O ATOM 767 CB PRO C 57 13.183 14.622 -1.068 1.00 0.00 C ATOM 768 CG PRO C 57 14.364 15.220 -0.259 1.00 0.00 C ATOM 769 CD PRO C 57 15.290 15.943 -1.248 1.00 0.00 C ATOM 0 HA PRO C 57 13.429 14.114 -3.183 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.233 15.015 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.147 13.539 -0.949 1.00 0.00 H new ATOM 0 HG2 PRO C 57 13.997 15.913 0.498 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.905 14.433 0.266 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.386 17.000 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.294 15.519 -1.232 1.00 0.00 H new ATOM 777 N SER C 58 11.249 15.271 -3.651 1.00 0.00 N ATOM 778 CA SER C 58 10.100 16.069 -4.163 1.00 0.00 C ATOM 779 C SER C 58 9.032 16.189 -3.072 1.00 0.00 C ATOM 780 O SER C 58 7.905 16.562 -3.334 1.00 0.00 O ATOM 781 CB SER C 58 9.510 15.372 -5.395 1.00 0.00 C ATOM 782 OG SER C 58 8.205 14.895 -5.101 1.00 0.00 O ATOM 0 H SER C 58 11.185 14.266 -3.811 1.00 0.00 H new ATOM 0 HA SER C 58 10.440 17.067 -4.440 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.472 16.067 -6.234 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.150 14.543 -5.696 1.00 0.00 H new ATOM 0 HG SER C 58 7.636 15.645 -4.829 1.00 0.00 H new ATOM 788 N ASN C 59 9.375 15.879 -1.852 1.00 0.00 N ATOM 789 CA ASN C 59 8.375 15.978 -0.751 1.00 0.00 C ATOM 790 C ASN C 59 8.928 16.861 0.369 1.00 0.00 C ATOM 791 O ASN C 59 8.232 17.196 1.308 1.00 0.00 O ATOM 792 CB ASN C 59 8.086 14.581 -0.197 1.00 0.00 C ATOM 793 CG ASN C 59 8.105 13.563 -1.339 1.00 0.00 C ATOM 794 OD1 ASN C 59 7.083 13.275 -1.929 1.00 0.00 O ATOM 795 ND2 ASN C 59 9.234 13.002 -1.677 1.00 0.00 N ATOM 0 H ASN C 59 10.303 15.562 -1.570 1.00 0.00 H new ATOM 0 HA ASN C 59 7.455 16.416 -1.139 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.830 14.315 0.553 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.115 14.569 0.299 1.00 0.00 H new ATOM 0 HD21 ASN C 59 9.258 12.322 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN C 59 10.092 13.244 -1.182 1.00 0.00 H new ATOM 802 N TYR C 60 10.173 17.245 0.281 1.00 0.00 N ATOM 803 CA TYR C 60 10.764 18.107 1.344 1.00 0.00 C ATOM 804 C TYR C 60 10.997 19.517 0.797 1.00 0.00 C ATOM 805 O TYR C 60 11.614 20.344 1.439 1.00 0.00 O ATOM 806 CB TYR C 60 12.102 17.512 1.796 1.00 0.00 C ATOM 807 CG TYR C 60 11.880 16.114 2.387 1.00 0.00 C ATOM 808 CD1 TYR C 60 10.607 15.667 2.681 1.00 0.00 C ATOM 809 CD2 TYR C 60 12.954 15.284 2.639 1.00 0.00 C ATOM 810 CE1 TYR C 60 10.411 14.413 3.220 1.00 0.00 C ATOM 811 CE2 TYR C 60 12.758 14.028 3.179 1.00 0.00 C ATOM 812 CZ TYR C 60 11.484 13.584 3.474 1.00 0.00 C ATOM 813 OH TYR C 60 11.287 12.328 4.009 1.00 0.00 O ATOM 0 H TYR C 60 10.806 16.999 -0.480 1.00 0.00 H new ATOM 0 HA TYR C 60 10.078 18.156 2.190 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.788 17.454 0.951 1.00 0.00 H new ATOM 0 HB3 TYR C 60 12.566 18.161 2.539 1.00 0.00 H new ATOM 0 HD1 TYR C 60 9.757 16.305 2.487 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.955 15.619 2.412 1.00 0.00 H new ATOM 0 HE1 TYR C 60 9.410 14.077 3.445 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.607 13.389 3.372 1.00 0.00 H new ATOM 0 HH TYR C 60 10.346 12.225 4.264 1.00 0.00 H new ATOM 823 N VAL C 61 10.506 19.803 -0.379 1.00 0.00 N ATOM 824 CA VAL C 61 10.707 21.163 -0.955 1.00 0.00 C ATOM 825 C VAL C 61 9.421 21.631 -1.642 1.00 0.00 C ATOM 826 O VAL C 61 8.506 20.866 -1.870 1.00 0.00 O ATOM 827 CB VAL C 61 11.857 21.116 -1.972 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.773 19.818 -2.775 1.00 0.00 C ATOM 829 CG2 VAL C 61 11.776 22.308 -2.930 1.00 0.00 C ATOM 0 H VAL C 61 9.976 19.156 -0.963 1.00 0.00 H new ATOM 0 HA VAL C 61 10.956 21.864 -0.158 1.00 0.00 H new ATOM 0 HB VAL C 61 12.803 21.160 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.589 19.783 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.850 18.966 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.820 19.777 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.599 22.258 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.828 22.279 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL C 61 11.844 23.236 -2.362 1.00 0.00 H new ATOM 839 N ALA C 62 9.355 22.891 -1.970 1.00 0.00 N ATOM 840 CA ALA C 62 8.142 23.437 -2.642 1.00 0.00 C ATOM 841 C ALA C 62 8.529 24.697 -3.423 1.00 0.00 C ATOM 842 O ALA C 62 9.507 25.343 -3.103 1.00 0.00 O ATOM 843 CB ALA C 62 7.088 23.789 -1.591 1.00 0.00 C ATOM 0 H ALA C 62 10.095 23.572 -1.800 1.00 0.00 H new ATOM 0 HA ALA C 62 7.732 22.692 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.202 24.188 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA C 62 6.819 22.893 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.491 24.537 -0.908 1.00 0.00 H new ATOM 849 N PRO C 63 7.749 25.009 -4.426 1.00 0.00 N ATOM 850 CA PRO C 63 7.993 26.192 -5.269 1.00 0.00 C ATOM 851 C PRO C 63 7.954 27.467 -4.420 1.00 0.00 C ATOM 852 O PRO C 63 7.223 27.560 -3.455 1.00 0.00 O ATOM 853 CB PRO C 63 6.850 26.189 -6.293 1.00 0.00 C ATOM 854 CG PRO C 63 5.961 24.951 -6.003 1.00 0.00 C ATOM 855 CD PRO C 63 6.563 24.215 -4.796 1.00 0.00 C ATOM 0 HA PRO C 63 8.971 26.164 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.266 27.106 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.246 26.147 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.936 25.257 -5.792 1.00 0.00 H new ATOM 0 HG3 PRO C 63 5.925 24.294 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO C 63 5.852 24.158 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO C 63 6.836 23.191 -5.052 1.00 0.00 H new ATOM 863 N SER C 64 8.737 28.449 -4.774 1.00 0.00 N ATOM 864 CA SER C 64 8.747 29.715 -3.990 1.00 0.00 C ATOM 865 C SER C 64 8.260 30.865 -4.875 1.00 0.00 C ATOM 866 O SER C 64 7.833 31.868 -4.326 1.00 0.00 O ATOM 867 CB SER C 64 10.170 30.008 -3.511 1.00 0.00 C ATOM 868 OG SER C 64 10.125 30.591 -2.217 1.00 0.00 O ATOM 869 OXT SER C 64 8.322 30.723 -6.084 1.00 0.00 O ATOM 0 H SER C 64 9.371 28.429 -5.573 1.00 0.00 H new ATOM 0 HA SER C 64 8.088 29.614 -3.128 1.00 0.00 H new ATOM 0 HB2 SER C 64 10.753 29.088 -3.486 1.00 0.00 H new ATOM 0 HB3 SER C 64 10.668 30.682 -4.208 1.00 0.00 H new ATOM 0 HG SER C 64 11.037 30.777 -1.910 1.00 0.00 H new ATOM 876 N ALA A 71 5.603 12.006 13.592 1.00 0.00 N ATOM 877 CA ALA A 71 5.770 13.484 13.512 1.00 0.00 C ATOM 878 C ALA A 71 7.021 13.812 12.695 1.00 0.00 C ATOM 879 O ALA A 71 7.491 14.933 12.684 1.00 0.00 O ATOM 880 CB ALA A 71 5.917 14.058 14.922 1.00 0.00 C ATOM 0 HA ALA A 71 4.896 13.923 13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.039 15.140 14.864 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.026 13.824 15.505 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.791 13.620 15.404 1.00 0.00 H new ATOM 888 N PHE A 72 7.564 12.844 12.012 1.00 0.00 N ATOM 889 CA PHE A 72 8.784 13.100 11.196 1.00 0.00 C ATOM 890 C PHE A 72 8.426 13.017 9.710 1.00 0.00 C ATOM 891 O PHE A 72 7.528 12.298 9.319 1.00 0.00 O ATOM 892 CB PHE A 72 9.848 12.051 11.525 1.00 0.00 C ATOM 893 CG PHE A 72 11.237 12.627 11.246 1.00 0.00 C ATOM 894 CD1 PHE A 72 11.571 13.897 11.682 1.00 0.00 C ATOM 895 CD2 PHE A 72 12.178 11.885 10.553 1.00 0.00 C ATOM 896 CE1 PHE A 72 12.824 14.416 11.429 1.00 0.00 C ATOM 897 CE2 PHE A 72 13.431 12.407 10.300 1.00 0.00 C ATOM 898 CZ PHE A 72 13.754 13.671 10.739 1.00 0.00 C ATOM 0 H PHE A 72 7.216 11.886 11.983 1.00 0.00 H new ATOM 0 HA PHE A 72 9.173 14.093 11.423 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.769 11.754 12.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.687 11.155 10.926 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.846 14.486 12.224 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.931 10.892 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.076 15.408 11.773 1.00 0.00 H new ATOM 0 HE2 PHE A 72 14.159 11.823 9.757 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.735 14.078 10.543 1.00 0.00 H new ATOM 908 N ALA A 73 9.121 13.750 8.880 1.00 0.00 N ATOM 909 CA ALA A 73 8.821 13.714 7.420 1.00 0.00 C ATOM 910 C ALA A 73 8.577 12.266 6.982 1.00 0.00 C ATOM 911 O ALA A 73 9.039 11.342 7.622 1.00 0.00 O ATOM 912 CB ALA A 73 10.008 14.288 6.643 1.00 0.00 C ATOM 0 H ALA A 73 9.883 14.372 9.151 1.00 0.00 H new ATOM 0 HA ALA A 73 7.930 14.309 7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.790 14.262 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.182 15.318 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.898 13.693 6.846 1.00 0.00 H new ATOM 918 N PRO A 74 7.856 12.113 5.900 1.00 0.00 N ATOM 919 CA PRO A 74 7.535 10.783 5.353 1.00 0.00 C ATOM 920 C PRO A 74 8.824 10.023 5.016 1.00 0.00 C ATOM 921 O PRO A 74 9.835 10.625 4.714 1.00 0.00 O ATOM 922 CB PRO A 74 6.723 11.065 4.082 1.00 0.00 C ATOM 923 CG PRO A 74 6.578 12.604 3.947 1.00 0.00 C ATOM 924 CD PRO A 74 7.310 13.249 5.135 1.00 0.00 C ATOM 0 HA PRO A 74 6.982 10.165 6.061 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.224 10.650 3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.743 10.592 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.004 12.947 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.526 12.890 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.103 13.916 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.630 13.845 5.743 1.00 0.00 H new ATOM 932 N PRO A 75 8.745 8.717 5.080 1.00 0.00 N ATOM 933 CA PRO A 75 9.896 7.845 4.785 1.00 0.00 C ATOM 934 C PRO A 75 10.373 8.067 3.347 1.00 0.00 C ATOM 935 O PRO A 75 9.646 7.841 2.401 1.00 0.00 O ATOM 936 CB PRO A 75 9.364 6.417 4.966 1.00 0.00 C ATOM 937 CG PRO A 75 7.875 6.518 5.387 1.00 0.00 C ATOM 938 CD PRO A 75 7.506 8.009 5.447 1.00 0.00 C ATOM 0 HA PRO A 75 10.748 8.048 5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.462 5.852 4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.941 5.887 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.239 5.995 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.719 6.046 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.696 8.244 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.168 8.293 6.443 1.00 0.00 H new ATOM 946 N LEU A 76 11.590 8.506 3.177 1.00 0.00 N ATOM 947 CA LEU A 76 12.110 8.741 1.802 1.00 0.00 C ATOM 948 C LEU A 76 11.881 7.484 0.950 1.00 0.00 C ATOM 949 O LEU A 76 12.254 6.398 1.349 1.00 0.00 O ATOM 950 CB LEU A 76 13.609 9.040 1.872 1.00 0.00 C ATOM 951 CG LEU A 76 13.819 10.471 2.371 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.274 10.649 2.809 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.501 11.455 1.244 1.00 0.00 C ATOM 0 H LEU A 76 12.246 8.712 3.931 1.00 0.00 H new ATOM 0 HA LEU A 76 11.589 9.587 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.101 8.334 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.062 8.916 0.888 1.00 0.00 H new ATOM 0 HG LEU A 76 13.159 10.662 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.425 11.668 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.501 9.947 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.935 10.459 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.650 12.475 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.161 11.265 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.465 11.328 0.931 1.00 0.00 H new ATOM 965 N PRO A 77 11.277 7.662 -0.201 1.00 0.00 N ATOM 966 CA PRO A 77 10.995 6.541 -1.117 1.00 0.00 C ATOM 967 C PRO A 77 12.303 5.883 -1.565 1.00 0.00 C ATOM 968 O PRO A 77 13.247 6.549 -1.942 1.00 0.00 O ATOM 969 CB PRO A 77 10.274 7.180 -2.312 1.00 0.00 C ATOM 970 CG PRO A 77 10.178 8.704 -2.046 1.00 0.00 C ATOM 971 CD PRO A 77 10.827 8.982 -0.680 1.00 0.00 C ATOM 0 HA PRO A 77 10.394 5.762 -0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.820 6.987 -3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.280 6.750 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.687 9.262 -2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.137 9.028 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.663 9.675 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.115 9.432 0.012 1.00 0.00 H new ATOM 979 N ARG A 78 12.366 4.580 -1.529 1.00 0.00 N ATOM 980 CA ARG A 78 13.611 3.882 -1.953 1.00 0.00 C ATOM 981 C ARG A 78 14.022 4.369 -3.344 1.00 0.00 C ATOM 982 O ARG A 78 13.509 3.914 -4.348 1.00 0.00 O ATOM 983 CB ARG A 78 13.364 2.372 -1.994 1.00 0.00 C ATOM 984 CG ARG A 78 14.437 1.659 -1.169 1.00 0.00 C ATOM 985 CD ARG A 78 15.432 0.974 -2.109 1.00 0.00 C ATOM 986 NE ARG A 78 16.760 0.877 -1.439 1.00 0.00 N ATOM 987 CZ ARG A 78 17.714 0.164 -1.976 1.00 0.00 C ATOM 988 NH1 ARG A 78 17.510 -0.468 -3.101 1.00 0.00 N ATOM 989 NH2 ARG A 78 18.876 0.081 -1.386 1.00 0.00 N ATOM 0 H ARG A 78 11.608 3.969 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 78 14.407 4.100 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.374 2.143 -1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.386 2.017 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.956 2.375 -0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.976 0.922 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.073 -0.020 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.521 1.539 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 78 16.924 1.368 -0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.603 -0.406 -3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.258 -1.024 -3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.038 0.572 -0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.622 -0.475 -1.804 1.00 0.00 H new ATOM 1003 N ARG A 79 14.942 5.291 -3.412 1.00 0.00 N ATOM 1004 CA ARG A 79 15.383 5.806 -4.738 1.00 0.00 C ATOM 1005 C ARG A 79 15.632 4.630 -5.685 1.00 0.00 C ATOM 1006 O ARG A 79 16.092 3.602 -5.214 1.00 0.00 O ATOM 1007 CB ARG A 79 16.674 6.610 -4.572 1.00 0.00 C ATOM 1008 CG ARG A 79 16.706 7.732 -5.612 1.00 0.00 C ATOM 1009 CD ARG A 79 17.989 8.551 -5.447 1.00 0.00 C ATOM 1010 NE ARG A 79 18.185 9.402 -6.655 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.357 9.913 -6.915 1.00 0.00 C ATOM 1012 NH1 ARG A 79 20.364 9.693 -6.113 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.524 10.649 -7.980 1.00 0.00 N ATOM 1014 OXT ARG A 79 15.357 4.777 -6.865 1.00 0.00 O ATOM 0 H ARG A 79 15.407 5.710 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 79 14.607 6.449 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 79 16.729 7.028 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 79 17.540 5.959 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.658 7.312 -6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.834 8.376 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.925 9.174 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 79 18.843 7.888 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 79 17.400 9.585 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 79 20.236 9.120 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 79 21.278 10.095 -6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.739 10.824 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.440 11.049 -8.185 1.00 0.00 H new