USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 CYS N :NH3+ -146:sc= 0.864 (180deg=0.367) USER MOD Single : A 1 CYS SG : rot 33:sc= 0.264 USER MOD Single : A 2 SER OG : rot -25:sc= 1.69! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.518 K(o=0.52,f=-0.98) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0369 (180deg=-0.371) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -100:sc= -0.0106 USER MOD Single : A 25 GLN : amide:sc= -3.5! C(o=-3.5!,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -4.87! C(o=-4.9!,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.00304 X(o=0.003,f=-0.33) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -69:sc= 0.576 USER MOD Single : A 53 ASN : amide:sc= -10.4! C(o=-10!,f=-3.8!) USER MOD Single : A 54 GLN : amide:sc= -1.43 K(o=-1.4,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 44.708 -12.146 -10.696 1.00 1.00 N ATOM 2 CA CYS A 1 45.532 -13.356 -10.978 1.00 1.00 C ATOM 3 C CYS A 1 45.508 -14.276 -9.763 1.00 1.00 C ATOM 4 O CYS A 1 45.533 -13.815 -8.624 1.00 1.00 O ATOM 5 CB CYS A 1 46.971 -12.933 -11.282 1.00 1.00 C ATOM 6 SG CYS A 1 47.521 -11.734 -10.043 1.00 1.00 S ATOM 0 H1 CYS A 1 44.245 -11.830 -11.572 1.00 1.00 H new ATOM 0 H2 CYS A 1 43.984 -12.377 -9.985 1.00 1.00 H new ATOM 0 H3 CYS A 1 45.319 -11.386 -10.334 1.00 1.00 H new ATOM 0 HA CYS A 1 45.125 -13.886 -11.839 1.00 1.00 H new ATOM 0 HB2 CYS A 1 47.626 -13.804 -11.277 1.00 1.00 H new ATOM 0 HB3 CYS A 1 47.030 -12.495 -12.279 1.00 1.00 H new ATOM 0 HG CYS A 1 46.958 -12.000 -8.902 1.00 1.00 H new ATOM 14 N SER A 2 45.457 -15.579 -10.018 1.00 1.00 N ATOM 15 CA SER A 2 45.424 -16.559 -8.939 1.00 1.00 C ATOM 16 C SER A 2 44.204 -16.332 -8.056 1.00 1.00 C ATOM 17 O SER A 2 43.992 -15.229 -7.551 1.00 1.00 O ATOM 18 CB SER A 2 46.697 -16.449 -8.091 1.00 1.00 C ATOM 19 OG SER A 2 46.468 -15.551 -7.013 1.00 1.00 O ATOM 0 H SER A 2 45.438 -15.979 -10.956 1.00 1.00 H new ATOM 0 HA SER A 2 45.366 -17.555 -9.377 1.00 1.00 H new ATOM 0 HB2 SER A 2 46.979 -17.430 -7.708 1.00 1.00 H new ATOM 0 HB3 SER A 2 47.526 -16.096 -8.704 1.00 1.00 H new ATOM 0 HG SER A 2 45.752 -14.927 -7.254 1.00 1.00 H new ATOM 25 N LYS A 3 43.405 -17.382 -7.859 1.00 1.00 N ATOM 26 CA LYS A 3 42.207 -17.280 -7.017 1.00 1.00 C ATOM 27 C LYS A 3 42.334 -18.233 -5.840 1.00 1.00 C ATOM 28 O LYS A 3 41.398 -18.960 -5.513 1.00 1.00 O ATOM 29 CB LYS A 3 40.948 -17.626 -7.821 1.00 1.00 C ATOM 30 CG LYS A 3 40.934 -16.870 -9.162 1.00 1.00 C ATOM 31 CD LYS A 3 40.808 -15.358 -8.930 1.00 1.00 C ATOM 32 CE LYS A 3 40.707 -14.643 -10.278 1.00 1.00 C ATOM 33 NZ LYS A 3 40.586 -13.175 -10.050 1.00 1.00 N ATOM 0 H LYS A 3 43.561 -18.305 -8.265 1.00 1.00 H new ATOM 0 HA LYS A 3 42.120 -16.255 -6.657 1.00 1.00 H new ATOM 0 HB2 LYS A 3 40.910 -18.700 -8.003 1.00 1.00 H new ATOM 0 HB3 LYS A 3 40.060 -17.369 -7.244 1.00 1.00 H new ATOM 0 HG2 LYS A 3 41.849 -17.083 -9.715 1.00 1.00 H new ATOM 0 HG3 LYS A 3 40.103 -17.220 -9.774 1.00 1.00 H new ATOM 0 HD2 LYS A 3 39.926 -15.144 -8.326 1.00 1.00 H new ATOM 0 HD3 LYS A 3 41.672 -14.991 -8.375 1.00 1.00 H new ATOM 0 HE2 LYS A 3 41.588 -14.857 -10.883 1.00 1.00 H new ATOM 0 HE3 LYS A 3 39.843 -15.009 -10.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 40.517 -12.686 -10.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 39.733 -12.980 -9.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 41.424 -12.833 -9.537 1.00 1.00 H new ATOM 47 N ASN A 4 43.505 -18.223 -5.212 1.00 1.00 N ATOM 48 CA ASN A 4 43.758 -19.091 -4.063 1.00 1.00 C ATOM 49 C ASN A 4 45.211 -18.951 -3.597 1.00 1.00 C ATOM 50 O ASN A 4 45.469 -18.582 -2.451 1.00 1.00 O ATOM 51 CB ASN A 4 43.451 -20.570 -4.434 1.00 1.00 C ATOM 52 CG ASN A 4 42.288 -21.116 -3.600 1.00 1.00 C ATOM 53 OD1 ASN A 4 42.404 -22.184 -2.999 1.00 1.00 O ATOM 54 ND2 ASN A 4 41.172 -20.443 -3.529 1.00 1.00 N ATOM 0 H ASN A 4 44.291 -17.628 -5.475 1.00 1.00 H new ATOM 0 HA ASN A 4 43.103 -18.789 -3.246 1.00 1.00 H new ATOM 0 HB2 ASN A 4 43.207 -20.639 -5.494 1.00 1.00 H new ATOM 0 HB3 ASN A 4 44.339 -21.181 -4.271 1.00 1.00 H new ATOM 0 HD21 ASN A 4 40.394 -20.802 -2.975 1.00 1.00 H new ATOM 0 HD22 ASN A 4 41.077 -19.558 -4.028 1.00 1.00 H new ATOM 61 N ARG A 5 46.153 -19.266 -4.484 1.00 1.00 N ATOM 62 CA ARG A 5 47.566 -19.185 -4.136 1.00 1.00 C ATOM 63 C ARG A 5 47.939 -17.769 -3.713 1.00 1.00 C ATOM 64 O ARG A 5 48.474 -17.570 -2.624 1.00 1.00 O ATOM 65 CB ARG A 5 48.418 -19.610 -5.339 1.00 1.00 C ATOM 66 CG ARG A 5 49.930 -19.539 -4.989 1.00 1.00 C ATOM 67 CD ARG A 5 50.558 -18.274 -5.589 1.00 1.00 C ATOM 68 NE ARG A 5 51.952 -18.158 -5.175 1.00 1.00 N ATOM 69 CZ ARG A 5 52.728 -17.185 -5.642 1.00 1.00 C ATOM 70 NH1 ARG A 5 52.247 -16.317 -6.489 1.00 1.00 N ATOM 71 NH2 ARG A 5 53.972 -17.099 -5.254 1.00 1.00 N ATOM 0 H ARG A 5 45.965 -19.576 -5.437 1.00 1.00 H new ATOM 0 HA ARG A 5 47.756 -19.856 -3.298 1.00 1.00 H new ATOM 0 HB2 ARG A 5 48.155 -20.625 -5.637 1.00 1.00 H new ATOM 0 HB3 ARG A 5 48.205 -18.962 -6.190 1.00 1.00 H new ATOM 0 HG2 ARG A 5 50.060 -19.539 -3.907 1.00 1.00 H new ATOM 0 HG3 ARG A 5 50.440 -20.423 -5.371 1.00 1.00 H new ATOM 0 HD2 ARG A 5 50.496 -18.309 -6.677 1.00 1.00 H new ATOM 0 HD3 ARG A 5 50.001 -17.394 -5.266 1.00 1.00 H new ATOM 0 HE ARG A 5 52.338 -18.835 -4.516 1.00 1.00 H new ATOM 0 HH11 ARG A 5 51.276 -16.385 -6.793 1.00 1.00 H new ATOM 0 HH12 ARG A 5 52.842 -15.570 -6.847 1.00 1.00 H new ATOM 0 HH21 ARG A 5 54.348 -17.778 -4.593 1.00 1.00 H new ATOM 0 HH22 ARG A 5 54.568 -16.352 -5.612 1.00 1.00 H new ATOM 85 N LYS A 6 47.636 -16.794 -4.572 1.00 1.00 N ATOM 86 CA LYS A 6 47.932 -15.391 -4.268 1.00 1.00 C ATOM 87 C LYS A 6 49.419 -15.210 -3.988 1.00 1.00 C ATOM 88 O LYS A 6 50.034 -16.037 -3.318 1.00 1.00 O ATOM 89 CB LYS A 6 47.128 -14.952 -3.044 1.00 1.00 C ATOM 90 CG LYS A 6 45.641 -15.171 -3.316 1.00 1.00 C ATOM 91 CD LYS A 6 44.831 -14.779 -2.082 1.00 1.00 C ATOM 92 CE LYS A 6 43.375 -15.205 -2.276 1.00 1.00 C ATOM 93 NZ LYS A 6 42.816 -14.535 -3.482 1.00 1.00 N ATOM 0 H LYS A 6 47.190 -16.947 -5.476 1.00 1.00 H new ATOM 0 HA LYS A 6 47.657 -14.781 -5.128 1.00 1.00 H new ATOM 0 HB2 LYS A 6 47.437 -15.521 -2.167 1.00 1.00 H new ATOM 0 HB3 LYS A 6 47.319 -13.901 -2.826 1.00 1.00 H new ATOM 0 HG2 LYS A 6 45.327 -14.576 -4.174 1.00 1.00 H new ATOM 0 HG3 LYS A 6 45.457 -16.216 -3.567 1.00 1.00 H new ATOM 0 HD2 LYS A 6 45.246 -15.256 -1.194 1.00 1.00 H new ATOM 0 HD3 LYS A 6 44.889 -13.702 -1.922 1.00 1.00 H new ATOM 0 HE2 LYS A 6 43.314 -16.288 -2.388 1.00 1.00 H new ATOM 0 HE3 LYS A 6 42.788 -14.942 -1.396 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 41.779 -14.615 -3.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 43.086 -13.531 -3.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 43.192 -14.991 -4.338 1.00 1.00 H new ATOM 107 N ALA A 7 49.996 -14.129 -4.515 1.00 1.00 N ATOM 108 CA ALA A 7 51.435 -13.851 -4.313 1.00 1.00 C ATOM 109 C ALA A 7 51.876 -14.319 -2.925 1.00 1.00 C ATOM 110 O ALA A 7 51.286 -13.934 -1.915 1.00 1.00 O ATOM 111 CB ALA A 7 51.746 -12.352 -4.459 1.00 1.00 C ATOM 0 H ALA A 7 49.505 -13.435 -5.079 1.00 1.00 H new ATOM 0 HA ALA A 7 51.983 -14.397 -5.081 1.00 1.00 H new ATOM 0 HB1 ALA A 7 52.812 -12.185 -4.304 1.00 1.00 H new ATOM 0 HB2 ALA A 7 51.468 -12.018 -5.459 1.00 1.00 H new ATOM 0 HB3 ALA A 7 51.179 -11.789 -3.718 1.00 1.00 H new ATOM 117 N LYS A 8 52.904 -15.168 -2.884 1.00 1.00 N ATOM 118 CA LYS A 8 53.405 -15.704 -1.606 1.00 1.00 C ATOM 119 C LYS A 8 54.914 -15.515 -1.497 1.00 1.00 C ATOM 120 O LYS A 8 55.482 -15.624 -0.411 1.00 1.00 O ATOM 121 CB LYS A 8 53.059 -17.203 -1.478 1.00 1.00 C ATOM 122 CG LYS A 8 53.104 -17.623 -0.004 1.00 1.00 C ATOM 123 CD LYS A 8 52.955 -19.145 0.112 1.00 1.00 C ATOM 124 CE LYS A 8 51.536 -19.572 -0.285 1.00 1.00 C ATOM 125 NZ LYS A 8 51.290 -20.967 0.177 1.00 1.00 N ATOM 0 H LYS A 8 53.405 -15.500 -3.708 1.00 1.00 H new ATOM 0 HA LYS A 8 52.922 -15.156 -0.797 1.00 1.00 H new ATOM 0 HB2 LYS A 8 52.068 -17.393 -1.890 1.00 1.00 H new ATOM 0 HB3 LYS A 8 53.764 -17.799 -2.057 1.00 1.00 H new ATOM 0 HG2 LYS A 8 54.046 -17.306 0.444 1.00 1.00 H new ATOM 0 HG3 LYS A 8 52.305 -17.128 0.548 1.00 1.00 H new ATOM 0 HD2 LYS A 8 53.684 -19.639 -0.531 1.00 1.00 H new ATOM 0 HD3 LYS A 8 53.165 -19.461 1.134 1.00 1.00 H new ATOM 0 HE2 LYS A 8 50.804 -18.896 0.158 1.00 1.00 H new ATOM 0 HE3 LYS A 8 51.415 -19.509 -1.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 50.328 -21.257 -0.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 51.981 -21.606 -0.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 51.389 -21.013 1.211 1.00 1.00 H new ATOM 139 N ALA A 9 55.559 -15.218 -2.619 1.00 1.00 N ATOM 140 CA ALA A 9 57.001 -15.003 -2.614 1.00 1.00 C ATOM 141 C ALA A 9 57.495 -14.542 -3.989 1.00 1.00 C ATOM 142 O ALA A 9 58.201 -13.539 -4.085 1.00 1.00 O ATOM 143 CB ALA A 9 57.737 -16.288 -2.175 1.00 1.00 C ATOM 0 H ALA A 9 55.114 -15.122 -3.532 1.00 1.00 H new ATOM 0 HA ALA A 9 57.222 -14.213 -1.896 1.00 1.00 H new ATOM 0 HB1 ALA A 9 58.812 -16.110 -2.177 1.00 1.00 H new ATOM 0 HB2 ALA A 9 57.417 -16.566 -1.171 1.00 1.00 H new ATOM 0 HB3 ALA A 9 57.502 -17.096 -2.867 1.00 1.00 H new ATOM 149 N LYS A 10 57.113 -15.261 -5.050 1.00 1.00 N ATOM 150 CA LYS A 10 57.529 -14.889 -6.403 1.00 1.00 C ATOM 151 C LYS A 10 56.949 -15.833 -7.471 1.00 1.00 C ATOM 152 O LYS A 10 56.591 -15.377 -8.550 1.00 1.00 O ATOM 153 CB LYS A 10 59.077 -14.877 -6.526 1.00 1.00 C ATOM 154 CG LYS A 10 59.508 -13.773 -7.501 1.00 1.00 C ATOM 155 CD LYS A 10 61.025 -13.806 -7.694 1.00 1.00 C ATOM 156 CE LYS A 10 61.397 -12.888 -8.861 1.00 1.00 C ATOM 157 NZ LYS A 10 62.866 -12.648 -8.865 1.00 1.00 N ATOM 0 H LYS A 10 56.524 -16.092 -4.998 1.00 1.00 H new ATOM 0 HA LYS A 10 57.138 -13.887 -6.579 1.00 1.00 H new ATOM 0 HB2 LYS A 10 59.528 -14.709 -5.548 1.00 1.00 H new ATOM 0 HB3 LYS A 10 59.431 -15.846 -6.878 1.00 1.00 H new ATOM 0 HG2 LYS A 10 59.008 -13.909 -8.460 1.00 1.00 H new ATOM 0 HG3 LYS A 10 59.203 -12.799 -7.118 1.00 1.00 H new ATOM 0 HD2 LYS A 10 61.528 -13.480 -6.783 1.00 1.00 H new ATOM 0 HD3 LYS A 10 61.357 -14.824 -7.895 1.00 1.00 H new ATOM 0 HE2 LYS A 10 61.091 -13.341 -9.804 1.00 1.00 H new ATOM 0 HE3 LYS A 10 60.865 -11.941 -8.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 63.114 -12.024 -9.659 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 63.147 -12.198 -7.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 63.366 -13.554 -8.968 1.00 1.00 H new ATOM 171 N PRO A 11 56.889 -17.122 -7.214 1.00 1.00 N ATOM 172 CA PRO A 11 56.376 -18.131 -8.206 1.00 1.00 C ATOM 173 C PRO A 11 55.035 -17.778 -8.837 1.00 1.00 C ATOM 174 O PRO A 11 54.022 -18.435 -8.596 1.00 1.00 O ATOM 175 CB PRO A 11 56.285 -19.418 -7.390 1.00 1.00 C ATOM 176 CG PRO A 11 57.326 -19.264 -6.332 1.00 1.00 C ATOM 177 CD PRO A 11 57.305 -17.781 -5.958 1.00 1.00 C ATOM 0 HA PRO A 11 57.039 -18.196 -9.069 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.293 -19.543 -6.956 1.00 1.00 H new ATOM 0 HB3 PRO A 11 56.475 -20.295 -8.009 1.00 1.00 H new ATOM 0 HG2 PRO A 11 57.105 -19.891 -5.468 1.00 1.00 H new ATOM 0 HG3 PRO A 11 58.308 -19.563 -6.700 1.00 1.00 H new ATOM 0 HD2 PRO A 11 56.605 -17.580 -5.147 1.00 1.00 H new ATOM 0 HD3 PRO A 11 58.284 -17.435 -5.627 1.00 1.00 H new ATOM 185 N VAL A 12 55.057 -16.762 -9.680 1.00 1.00 N ATOM 186 CA VAL A 12 53.854 -16.344 -10.394 1.00 1.00 C ATOM 187 C VAL A 12 53.611 -17.280 -11.573 1.00 1.00 C ATOM 188 O VAL A 12 52.558 -17.246 -12.209 1.00 1.00 O ATOM 189 CB VAL A 12 53.992 -14.905 -10.914 1.00 1.00 C ATOM 190 CG1 VAL A 12 52.623 -14.410 -11.407 1.00 1.00 C ATOM 191 CG2 VAL A 12 54.523 -13.968 -9.799 1.00 1.00 C ATOM 0 H VAL A 12 55.889 -16.210 -9.890 1.00 1.00 H new ATOM 0 HA VAL A 12 53.014 -16.385 -9.701 1.00 1.00 H new ATOM 0 HB VAL A 12 54.705 -14.894 -11.738 1.00 1.00 H new ATOM 0 HG11 VAL A 12 52.717 -13.389 -11.777 1.00 1.00 H new ATOM 0 HG12 VAL A 12 52.270 -15.056 -12.211 1.00 1.00 H new ATOM 0 HG13 VAL A 12 51.909 -14.433 -10.583 1.00 1.00 H new ATOM 0 HG21 VAL A 12 54.613 -12.954 -10.188 1.00 1.00 H new ATOM 0 HG22 VAL A 12 53.829 -13.973 -8.958 1.00 1.00 H new ATOM 0 HG23 VAL A 12 55.500 -14.317 -9.465 1.00 1.00 H new ATOM 201 N THR A 13 54.603 -18.113 -11.852 1.00 1.00 N ATOM 202 CA THR A 13 54.523 -19.064 -12.951 1.00 1.00 C ATOM 203 C THR A 13 53.351 -20.004 -12.739 1.00 1.00 C ATOM 204 O THR A 13 52.943 -20.713 -13.659 1.00 1.00 O ATOM 205 CB THR A 13 55.822 -19.868 -13.053 1.00 1.00 C ATOM 206 OG1 THR A 13 56.896 -18.988 -13.351 1.00 1.00 O ATOM 207 CG2 THR A 13 55.695 -20.914 -14.165 1.00 1.00 C ATOM 0 H THR A 13 55.478 -18.149 -11.329 1.00 1.00 H new ATOM 0 HA THR A 13 54.376 -18.513 -13.880 1.00 1.00 H new ATOM 0 HB THR A 13 56.013 -20.372 -12.105 1.00 1.00 H new ATOM 0 HG1 THR A 13 57.730 -19.499 -13.415 1.00 1.00 H new ATOM 0 HG21 THR A 13 56.621 -21.485 -14.235 1.00 1.00 H new ATOM 0 HG22 THR A 13 54.870 -21.588 -13.938 1.00 1.00 H new ATOM 0 HG23 THR A 13 55.504 -20.414 -15.115 1.00 1.00 H new ATOM 215 N ARG A 14 52.820 -20.002 -11.515 1.00 1.00 N ATOM 216 CA ARG A 14 51.678 -20.865 -11.168 1.00 1.00 C ATOM 217 C ARG A 14 50.755 -21.084 -12.374 1.00 1.00 C ATOM 218 O ARG A 14 50.169 -22.156 -12.532 1.00 1.00 O ATOM 219 CB ARG A 14 50.875 -20.229 -10.025 1.00 1.00 C ATOM 220 CG ARG A 14 50.685 -18.732 -10.309 1.00 1.00 C ATOM 221 CD ARG A 14 49.576 -18.138 -9.412 1.00 1.00 C ATOM 222 NE ARG A 14 48.404 -17.818 -10.220 1.00 1.00 N ATOM 223 CZ ARG A 14 48.402 -16.775 -11.045 1.00 1.00 C ATOM 224 NH1 ARG A 14 49.463 -16.022 -11.147 1.00 1.00 N ATOM 225 NH2 ARG A 14 47.338 -16.504 -11.748 1.00 1.00 N ATOM 0 H ARG A 14 53.156 -19.419 -10.749 1.00 1.00 H new ATOM 0 HA ARG A 14 52.072 -21.832 -10.856 1.00 1.00 H new ATOM 0 HB2 ARG A 14 49.906 -20.719 -9.930 1.00 1.00 H new ATOM 0 HB3 ARG A 14 51.396 -20.368 -9.078 1.00 1.00 H new ATOM 0 HG2 ARG A 14 51.622 -18.203 -10.135 1.00 1.00 H new ATOM 0 HG3 ARG A 14 50.427 -18.586 -11.358 1.00 1.00 H new ATOM 0 HD2 ARG A 14 49.307 -18.850 -8.631 1.00 1.00 H new ATOM 0 HD3 ARG A 14 49.941 -17.240 -8.913 1.00 1.00 H new ATOM 0 HE ARG A 14 47.572 -18.404 -10.151 1.00 1.00 H new ATOM 0 HH11 ARG A 14 50.294 -16.234 -10.594 1.00 1.00 H new ATOM 0 HH12 ARG A 14 49.462 -15.222 -11.780 1.00 1.00 H new ATOM 0 HH21 ARG A 14 46.508 -17.092 -11.665 1.00 1.00 H new ATOM 0 HH22 ARG A 14 47.335 -15.704 -12.381 1.00 1.00 H new ATOM 239 N GLY A 15 50.653 -20.066 -13.227 1.00 1.00 N ATOM 240 CA GLY A 15 49.820 -20.154 -14.433 1.00 1.00 C ATOM 241 C GLY A 15 48.413 -20.663 -14.119 1.00 1.00 C ATOM 242 O GLY A 15 48.222 -21.842 -13.822 1.00 1.00 O ATOM 0 H GLY A 15 51.133 -19.174 -13.110 1.00 1.00 H new ATOM 0 HA2 GLY A 15 49.755 -19.172 -14.901 1.00 1.00 H new ATOM 0 HA3 GLY A 15 50.294 -20.820 -15.154 1.00 1.00 H new ATOM 246 N THR A 16 47.430 -19.769 -14.201 1.00 1.00 N ATOM 247 CA THR A 16 46.045 -20.146 -13.936 1.00 1.00 C ATOM 248 C THR A 16 45.096 -18.984 -14.261 1.00 1.00 C ATOM 249 O THR A 16 44.937 -18.065 -13.461 1.00 1.00 O ATOM 250 CB THR A 16 45.885 -20.563 -12.466 1.00 1.00 C ATOM 251 OG1 THR A 16 44.516 -20.845 -12.209 1.00 1.00 O ATOM 252 CG2 THR A 16 46.355 -19.441 -11.530 1.00 1.00 C ATOM 0 H THR A 16 47.565 -18.788 -14.446 1.00 1.00 H new ATOM 0 HA THR A 16 45.788 -20.990 -14.576 1.00 1.00 H new ATOM 0 HB THR A 16 46.494 -21.448 -12.283 1.00 1.00 H new ATOM 0 HG1 THR A 16 44.407 -21.113 -11.273 1.00 1.00 H new ATOM 0 HG21 THR A 16 46.233 -19.757 -10.494 1.00 1.00 H new ATOM 0 HG22 THR A 16 47.406 -19.223 -11.722 1.00 1.00 H new ATOM 0 HG23 THR A 16 45.760 -18.545 -11.709 1.00 1.00 H new ATOM 260 N GLY A 17 44.475 -19.020 -15.446 1.00 1.00 N ATOM 261 CA GLY A 17 43.557 -17.949 -15.850 1.00 1.00 C ATOM 262 C GLY A 17 42.613 -17.562 -14.714 1.00 1.00 C ATOM 263 O GLY A 17 42.980 -16.797 -13.823 1.00 1.00 O ATOM 0 H GLY A 17 44.588 -19.766 -16.132 1.00 1.00 H new ATOM 0 HA2 GLY A 17 44.130 -17.076 -16.162 1.00 1.00 H new ATOM 0 HA3 GLY A 17 42.976 -18.273 -16.713 1.00 1.00 H new ATOM 267 N ALA A 18 41.391 -18.088 -14.757 1.00 1.00 N ATOM 268 CA ALA A 18 40.402 -17.779 -13.729 1.00 1.00 C ATOM 269 C ALA A 18 39.144 -18.644 -13.917 1.00 1.00 C ATOM 270 O ALA A 18 38.502 -18.571 -14.964 1.00 1.00 O ATOM 271 CB ALA A 18 40.019 -16.298 -13.825 1.00 1.00 C ATOM 0 H ALA A 18 41.065 -18.724 -15.485 1.00 1.00 H new ATOM 0 HA ALA A 18 40.832 -17.991 -12.750 1.00 1.00 H new ATOM 0 HB1 ALA A 18 39.280 -16.063 -13.059 1.00 1.00 H new ATOM 0 HB2 ALA A 18 40.906 -15.682 -13.675 1.00 1.00 H new ATOM 0 HB3 ALA A 18 39.598 -16.094 -14.810 1.00 1.00 H new ATOM 277 N GLY A 19 38.785 -19.463 -12.917 1.00 1.00 N ATOM 278 CA GLY A 19 37.599 -20.311 -13.035 1.00 1.00 C ATOM 279 C GLY A 19 37.032 -20.664 -11.659 1.00 1.00 C ATOM 280 O GLY A 19 36.817 -21.838 -11.354 1.00 1.00 O ATOM 0 H GLY A 19 39.290 -19.553 -12.036 1.00 1.00 H new ATOM 0 HA2 GLY A 19 36.839 -19.798 -13.624 1.00 1.00 H new ATOM 0 HA3 GLY A 19 37.854 -21.225 -13.571 1.00 1.00 H new ATOM 284 N SER A 20 36.805 -19.649 -10.822 1.00 1.00 N ATOM 285 CA SER A 20 36.277 -19.879 -9.472 1.00 1.00 C ATOM 286 C SER A 20 34.750 -19.908 -9.450 1.00 1.00 C ATOM 287 O SER A 20 34.151 -20.501 -8.552 1.00 1.00 O ATOM 288 CB SER A 20 36.776 -18.786 -8.524 1.00 1.00 C ATOM 289 OG SER A 20 38.185 -18.650 -8.667 1.00 1.00 O ATOM 0 H SER A 20 36.976 -18.670 -11.050 1.00 1.00 H new ATOM 0 HA SER A 20 36.636 -20.855 -9.145 1.00 1.00 H new ATOM 0 HB2 SER A 20 36.283 -17.840 -8.748 1.00 1.00 H new ATOM 0 HB3 SER A 20 36.526 -19.039 -7.494 1.00 1.00 H new ATOM 0 HG SER A 20 38.635 -19.124 -7.937 1.00 1.00 H new ATOM 295 N ARG A 21 34.136 -19.264 -10.439 1.00 1.00 N ATOM 296 CA ARG A 21 32.668 -19.204 -10.548 1.00 1.00 C ATOM 297 C ARG A 21 32.006 -19.224 -9.165 1.00 1.00 C ATOM 298 O ARG A 21 31.426 -20.231 -8.759 1.00 1.00 O ATOM 299 CB ARG A 21 32.153 -20.379 -11.387 1.00 1.00 C ATOM 300 CG ARG A 21 32.846 -21.676 -10.955 1.00 1.00 C ATOM 301 CD ARG A 21 32.209 -22.869 -11.673 1.00 1.00 C ATOM 302 NE ARG A 21 32.580 -24.111 -11.005 1.00 1.00 N ATOM 303 CZ ARG A 21 31.983 -24.489 -9.880 1.00 1.00 C ATOM 304 NH1 ARG A 21 31.044 -23.748 -9.359 1.00 1.00 N ATOM 305 NH2 ARG A 21 32.335 -25.602 -9.297 1.00 1.00 N ATOM 0 H ARG A 21 34.629 -18.772 -11.184 1.00 1.00 H new ATOM 0 HA ARG A 21 32.406 -18.266 -11.038 1.00 1.00 H new ATOM 0 HB2 ARG A 21 31.074 -20.476 -11.267 1.00 1.00 H new ATOM 0 HB3 ARG A 21 32.341 -20.191 -12.444 1.00 1.00 H new ATOM 0 HG2 ARG A 21 33.910 -21.626 -11.188 1.00 1.00 H new ATOM 0 HG3 ARG A 21 32.761 -21.802 -9.876 1.00 1.00 H new ATOM 0 HD2 ARG A 21 31.124 -22.761 -11.682 1.00 1.00 H new ATOM 0 HD3 ARG A 21 32.535 -22.894 -12.713 1.00 1.00 H new ATOM 0 HE ARG A 21 33.310 -24.699 -11.408 1.00 1.00 H new ATOM 0 HH11 ARG A 21 30.768 -22.879 -9.815 1.00 1.00 H new ATOM 0 HH12 ARG A 21 30.586 -24.038 -8.495 1.00 1.00 H new ATOM 0 HH21 ARG A 21 33.068 -26.182 -9.705 1.00 1.00 H new ATOM 0 HH22 ARG A 21 31.877 -25.892 -8.433 1.00 1.00 H new ATOM 319 N PRO A 22 32.103 -18.145 -8.434 1.00 1.00 N ATOM 320 CA PRO A 22 31.526 -18.050 -7.058 1.00 1.00 C ATOM 321 C PRO A 22 30.049 -18.423 -7.003 1.00 1.00 C ATOM 322 O PRO A 22 29.660 -19.349 -6.291 1.00 1.00 O ATOM 323 CB PRO A 22 31.765 -16.580 -6.655 1.00 1.00 C ATOM 324 CG PRO A 22 32.885 -16.108 -7.533 1.00 1.00 C ATOM 325 CD PRO A 22 32.772 -16.899 -8.838 1.00 1.00 C ATOM 0 HA PRO A 22 31.996 -18.757 -6.374 1.00 1.00 H new ATOM 0 HB2 PRO A 22 30.868 -15.980 -6.805 1.00 1.00 H new ATOM 0 HB3 PRO A 22 32.030 -16.499 -5.601 1.00 1.00 H new ATOM 0 HG2 PRO A 22 32.807 -15.037 -7.720 1.00 1.00 H new ATOM 0 HG3 PRO A 22 33.851 -16.279 -7.057 1.00 1.00 H new ATOM 0 HD2 PRO A 22 32.192 -16.357 -9.585 1.00 1.00 H new ATOM 0 HD3 PRO A 22 33.752 -17.094 -9.274 1.00 1.00 H new ATOM 333 N ARG A 23 29.239 -17.699 -7.752 1.00 1.00 N ATOM 334 CA ARG A 23 27.794 -17.951 -7.791 1.00 1.00 C ATOM 335 C ARG A 23 27.154 -17.699 -6.428 1.00 1.00 C ATOM 336 O ARG A 23 25.932 -17.612 -6.306 1.00 1.00 O ATOM 337 CB ARG A 23 27.525 -19.404 -8.214 1.00 1.00 C ATOM 338 CG ARG A 23 26.056 -19.568 -8.678 1.00 1.00 C ATOM 339 CD ARG A 23 25.514 -20.927 -8.222 1.00 1.00 C ATOM 340 NE ARG A 23 25.413 -20.948 -6.766 1.00 1.00 N ATOM 341 CZ ARG A 23 25.156 -22.071 -6.105 1.00 1.00 C ATOM 342 NH1 ARG A 23 24.980 -23.188 -6.757 1.00 1.00 N ATOM 343 NH2 ARG A 23 25.080 -22.057 -4.802 1.00 1.00 N ATOM 0 H ARG A 23 29.548 -16.929 -8.345 1.00 1.00 H new ATOM 0 HA ARG A 23 27.354 -17.266 -8.516 1.00 1.00 H new ATOM 0 HB2 ARG A 23 28.202 -19.686 -9.021 1.00 1.00 H new ATOM 0 HB3 ARG A 23 27.727 -20.076 -7.380 1.00 1.00 H new ATOM 0 HG2 ARG A 23 25.444 -18.766 -8.266 1.00 1.00 H new ATOM 0 HG3 ARG A 23 25.997 -19.489 -9.764 1.00 1.00 H new ATOM 0 HD2 ARG A 23 24.536 -21.108 -8.668 1.00 1.00 H new ATOM 0 HD3 ARG A 23 26.173 -21.726 -8.563 1.00 1.00 H new ATOM 0 HE ARG A 23 25.543 -20.081 -6.245 1.00 1.00 H new ATOM 0 HH11 ARG A 23 25.040 -23.199 -7.775 1.00 1.00 H new ATOM 0 HH12 ARG A 23 24.783 -24.050 -6.248 1.00 1.00 H new ATOM 0 HH21 ARG A 23 25.218 -21.184 -4.292 1.00 1.00 H new ATOM 0 HH22 ARG A 23 24.883 -22.919 -4.293 1.00 1.00 H new ATOM 357 N GLY A 24 27.984 -17.582 -5.407 1.00 1.00 N ATOM 358 CA GLY A 24 27.497 -17.342 -4.053 1.00 1.00 C ATOM 359 C GLY A 24 28.524 -17.808 -3.028 1.00 1.00 C ATOM 360 O GLY A 24 29.275 -16.998 -2.485 1.00 1.00 O ATOM 0 H GLY A 24 28.999 -17.649 -5.486 1.00 1.00 H new ATOM 0 HA2 GLY A 24 27.293 -16.280 -3.916 1.00 1.00 H new ATOM 0 HA3 GLY A 24 26.556 -17.870 -3.900 1.00 1.00 H new ATOM 364 N GLN A 25 28.546 -19.125 -2.783 1.00 1.00 N ATOM 365 CA GLN A 25 29.479 -19.752 -1.824 1.00 1.00 C ATOM 366 C GLN A 25 30.030 -18.752 -0.811 1.00 1.00 C ATOM 367 O GLN A 25 31.182 -18.336 -0.893 1.00 1.00 O ATOM 368 CB GLN A 25 30.640 -20.433 -2.568 1.00 1.00 C ATOM 369 CG GLN A 25 31.480 -19.405 -3.381 1.00 1.00 C ATOM 370 CD GLN A 25 32.833 -19.149 -2.712 1.00 1.00 C ATOM 371 OE1 GLN A 25 33.470 -20.079 -2.219 1.00 1.00 O ATOM 372 NE2 GLN A 25 33.306 -17.930 -2.666 1.00 1.00 N ATOM 0 H GLN A 25 27.921 -19.789 -3.241 1.00 1.00 H new ATOM 0 HA GLN A 25 28.910 -20.500 -1.273 1.00 1.00 H new ATOM 0 HB2 GLN A 25 31.283 -20.943 -1.851 1.00 1.00 H new ATOM 0 HB3 GLN A 25 30.245 -21.194 -3.241 1.00 1.00 H new ATOM 0 HG2 GLN A 25 31.636 -19.777 -4.394 1.00 1.00 H new ATOM 0 HG3 GLN A 25 30.930 -18.468 -3.467 1.00 1.00 H new ATOM 0 HE21 GLN A 25 32.775 -17.161 -3.076 1.00 1.00 H new ATOM 0 HE22 GLN A 25 34.205 -17.748 -2.220 1.00 1.00 H new ATOM 381 N ASN A 26 29.197 -18.375 0.145 1.00 1.00 N ATOM 382 CA ASN A 26 29.617 -17.427 1.167 1.00 1.00 C ATOM 383 C ASN A 26 28.634 -17.410 2.324 1.00 1.00 C ATOM 384 O ASN A 26 27.994 -16.393 2.589 1.00 1.00 O ATOM 385 CB ASN A 26 29.723 -16.027 0.561 1.00 1.00 C ATOM 386 CG ASN A 26 28.342 -15.544 0.126 1.00 1.00 C ATOM 387 OD1 ASN A 26 27.851 -15.934 -0.933 1.00 1.00 O ATOM 388 ND2 ASN A 26 27.681 -14.717 0.887 1.00 1.00 N ATOM 0 H ASN A 26 28.236 -18.706 0.236 1.00 1.00 H new ATOM 0 HA ASN A 26 30.591 -17.737 1.545 1.00 1.00 H new ATOM 0 HB2 ASN A 26 30.146 -15.337 1.290 1.00 1.00 H new ATOM 0 HB3 ASN A 26 30.399 -16.041 -0.294 1.00 1.00 H new ATOM 0 HD21 ASN A 26 26.756 -14.393 0.605 1.00 1.00 H new ATOM 0 HD22 ASN A 26 28.089 -14.394 1.764 1.00 1.00 H new ATOM 395 N LYS A 27 28.504 -18.540 3.008 1.00 1.00 N ATOM 396 CA LYS A 27 27.575 -18.628 4.134 1.00 1.00 C ATOM 397 C LYS A 27 26.158 -18.232 3.695 1.00 1.00 C ATOM 398 O LYS A 27 25.218 -18.279 4.488 1.00 1.00 O ATOM 399 CB LYS A 27 28.060 -17.724 5.275 1.00 1.00 C ATOM 400 CG LYS A 27 29.197 -18.408 6.040 1.00 1.00 C ATOM 401 CD LYS A 27 29.715 -17.462 7.124 1.00 1.00 C ATOM 402 CE LYS A 27 30.875 -18.122 7.871 1.00 1.00 C ATOM 403 NZ LYS A 27 31.398 -17.186 8.907 1.00 1.00 N ATOM 0 H LYS A 27 29.020 -19.397 2.809 1.00 1.00 H new ATOM 0 HA LYS A 27 27.543 -19.658 4.489 1.00 1.00 H new ATOM 0 HB2 LYS A 27 28.403 -16.771 4.873 1.00 1.00 H new ATOM 0 HB3 LYS A 27 27.235 -17.506 5.953 1.00 1.00 H new ATOM 0 HG2 LYS A 27 28.842 -19.336 6.489 1.00 1.00 H new ATOM 0 HG3 LYS A 27 30.003 -18.673 5.356 1.00 1.00 H new ATOM 0 HD2 LYS A 27 30.045 -16.525 6.675 1.00 1.00 H new ATOM 0 HD3 LYS A 27 28.913 -17.217 7.821 1.00 1.00 H new ATOM 0 HE2 LYS A 27 30.540 -19.048 8.338 1.00 1.00 H new ATOM 0 HE3 LYS A 27 31.668 -18.387 7.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 32.187 -17.635 9.415 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 31.733 -16.314 8.450 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 30.640 -16.955 9.580 1.00 1.00 H new ATOM 417 N GLU A 28 26.011 -17.875 2.418 1.00 1.00 N ATOM 418 CA GLU A 28 24.708 -17.509 1.868 1.00 1.00 C ATOM 419 C GLU A 28 23.980 -16.523 2.774 1.00 1.00 C ATOM 420 O GLU A 28 22.770 -16.617 2.977 1.00 1.00 O ATOM 421 CB GLU A 28 23.875 -18.778 1.675 1.00 1.00 C ATOM 422 CG GLU A 28 24.787 -19.924 1.184 1.00 1.00 C ATOM 423 CD GLU A 28 25.407 -20.666 2.368 1.00 1.00 C ATOM 424 OE1 GLU A 28 24.713 -20.856 3.354 1.00 1.00 O ATOM 425 OE2 GLU A 28 26.566 -21.034 2.269 1.00 1.00 O ATOM 0 H GLU A 28 26.778 -17.832 1.747 1.00 1.00 H new ATOM 0 HA GLU A 28 24.856 -17.016 0.907 1.00 1.00 H new ATOM 0 HB2 GLU A 28 23.396 -19.057 2.613 1.00 1.00 H new ATOM 0 HB3 GLU A 28 23.079 -18.597 0.952 1.00 1.00 H new ATOM 0 HG2 GLU A 28 24.210 -20.619 0.575 1.00 1.00 H new ATOM 0 HG3 GLU A 28 25.575 -19.521 0.548 1.00 1.00 H new ATOM 432 N ARG A 29 24.736 -15.574 3.305 1.00 1.00 N ATOM 433 CA ARG A 29 24.183 -14.547 4.188 1.00 1.00 C ATOM 434 C ARG A 29 25.039 -13.269 4.111 1.00 1.00 C ATOM 435 O ARG A 29 24.566 -12.233 3.647 1.00 1.00 O ATOM 436 CB ARG A 29 24.109 -15.082 5.641 1.00 1.00 C ATOM 437 CG ARG A 29 22.696 -15.603 5.955 1.00 1.00 C ATOM 438 CD ARG A 29 22.614 -16.078 7.420 1.00 1.00 C ATOM 439 NE ARG A 29 21.724 -17.230 7.521 1.00 1.00 N ATOM 440 CZ ARG A 29 21.179 -17.581 8.682 1.00 1.00 C ATOM 441 NH1 ARG A 29 21.415 -16.876 9.755 1.00 1.00 N ATOM 442 NH2 ARG A 29 20.405 -18.630 8.747 1.00 1.00 N ATOM 0 H ARG A 29 25.739 -15.490 3.141 1.00 1.00 H new ATOM 0 HA ARG A 29 23.172 -14.299 3.864 1.00 1.00 H new ATOM 0 HB2 ARG A 29 24.836 -15.883 5.777 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.374 -14.289 6.340 1.00 1.00 H new ATOM 0 HG2 ARG A 29 21.963 -14.815 5.779 1.00 1.00 H new ATOM 0 HG3 ARG A 29 22.447 -16.425 5.284 1.00 1.00 H new ATOM 0 HD2 ARG A 29 23.608 -16.343 7.781 1.00 1.00 H new ATOM 0 HD3 ARG A 29 22.249 -15.269 8.053 1.00 1.00 H new ATOM 0 HE ARG A 29 21.516 -17.776 6.685 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.018 -16.055 9.703 1.00 1.00 H new ATOM 0 HH12 ARG A 29 20.996 -17.146 10.645 1.00 1.00 H new ATOM 0 HH21 ARG A 29 20.219 -19.179 7.908 1.00 1.00 H new ATOM 0 HH22 ARG A 29 19.986 -18.900 9.637 1.00 1.00 H new ATOM 456 N PRO A 30 26.278 -13.323 4.543 1.00 1.00 N ATOM 457 CA PRO A 30 27.203 -12.143 4.507 1.00 1.00 C ATOM 458 C PRO A 30 27.423 -11.627 3.080 1.00 1.00 C ATOM 459 O PRO A 30 27.120 -12.319 2.108 1.00 1.00 O ATOM 460 CB PRO A 30 28.514 -12.686 5.118 1.00 1.00 C ATOM 461 CG PRO A 30 28.421 -14.170 4.981 1.00 1.00 C ATOM 462 CD PRO A 30 26.941 -14.502 5.116 1.00 1.00 C ATOM 0 HA PRO A 30 26.803 -11.288 5.052 1.00 1.00 H new ATOM 0 HB2 PRO A 30 29.385 -12.295 4.592 1.00 1.00 H new ATOM 0 HB3 PRO A 30 28.614 -12.392 6.163 1.00 1.00 H new ATOM 0 HG2 PRO A 30 28.810 -14.500 4.018 1.00 1.00 H new ATOM 0 HG3 PRO A 30 29.007 -14.672 5.751 1.00 1.00 H new ATOM 0 HD2 PRO A 30 26.682 -15.412 4.575 1.00 1.00 H new ATOM 0 HD3 PRO A 30 26.657 -14.658 6.157 1.00 1.00 H new ATOM 470 N PRO A 31 27.948 -10.434 2.948 1.00 1.00 N ATOM 471 CA PRO A 31 28.224 -9.810 1.623 1.00 1.00 C ATOM 472 C PRO A 31 28.648 -10.844 0.570 1.00 1.00 C ATOM 473 O PRO A 31 29.137 -11.920 0.917 1.00 1.00 O ATOM 474 CB PRO A 31 29.368 -8.843 1.947 1.00 1.00 C ATOM 475 CG PRO A 31 29.124 -8.407 3.366 1.00 1.00 C ATOM 476 CD PRO A 31 28.337 -9.539 4.053 1.00 1.00 C ATOM 0 HA PRO A 31 27.348 -9.328 1.189 1.00 1.00 H new ATOM 0 HB2 PRO A 31 30.337 -9.331 1.846 1.00 1.00 H new ATOM 0 HB3 PRO A 31 29.368 -7.991 1.267 1.00 1.00 H new ATOM 0 HG2 PRO A 31 30.067 -8.224 3.881 1.00 1.00 H new ATOM 0 HG3 PRO A 31 28.561 -7.474 3.392 1.00 1.00 H new ATOM 0 HD2 PRO A 31 28.949 -10.059 4.790 1.00 1.00 H new ATOM 0 HD3 PRO A 31 27.464 -9.154 4.579 1.00 1.00 H new ATOM 484 N PRO A 32 28.482 -10.542 -0.697 1.00 1.00 N ATOM 485 CA PRO A 32 28.872 -11.473 -1.802 1.00 1.00 C ATOM 486 C PRO A 32 30.375 -11.774 -1.777 1.00 1.00 C ATOM 487 O PRO A 32 31.004 -11.695 -0.726 1.00 1.00 O ATOM 488 CB PRO A 32 28.448 -10.723 -3.086 1.00 1.00 C ATOM 489 CG PRO A 32 28.335 -9.287 -2.687 1.00 1.00 C ATOM 490 CD PRO A 32 27.908 -9.290 -1.221 1.00 1.00 C ATOM 0 HA PRO A 32 28.394 -12.449 -1.721 1.00 1.00 H new ATOM 0 HB2 PRO A 32 29.184 -10.854 -3.879 1.00 1.00 H new ATOM 0 HB3 PRO A 32 27.499 -11.101 -3.467 1.00 1.00 H new ATOM 0 HG2 PRO A 32 29.286 -8.770 -2.815 1.00 1.00 H new ATOM 0 HG3 PRO A 32 27.604 -8.767 -3.305 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.292 -8.419 -0.690 1.00 1.00 H new ATOM 0 HD3 PRO A 32 26.823 -9.273 -1.119 1.00 1.00 H new ATOM 498 N VAL A 33 30.926 -12.118 -2.941 1.00 1.00 N ATOM 499 CA VAL A 33 32.351 -12.435 -3.086 1.00 1.00 C ATOM 500 C VAL A 33 32.791 -13.497 -2.063 1.00 1.00 C ATOM 501 O VAL A 33 32.082 -13.748 -1.089 1.00 1.00 O ATOM 502 CB VAL A 33 33.213 -11.139 -2.992 1.00 1.00 C ATOM 503 CG1 VAL A 33 32.336 -9.904 -3.233 1.00 1.00 C ATOM 504 CG2 VAL A 33 33.901 -10.992 -1.621 1.00 1.00 C ATOM 0 H VAL A 33 30.399 -12.185 -3.812 1.00 1.00 H new ATOM 0 HA VAL A 33 32.510 -12.864 -4.075 1.00 1.00 H new ATOM 0 HB VAL A 33 33.985 -11.218 -3.757 1.00 1.00 H new ATOM 0 HG11 VAL A 33 32.948 -9.004 -3.165 1.00 1.00 H new ATOM 0 HG12 VAL A 33 31.888 -9.964 -4.225 1.00 1.00 H new ATOM 0 HG13 VAL A 33 31.548 -9.865 -2.481 1.00 1.00 H new ATOM 0 HG21 VAL A 33 34.489 -10.074 -1.606 1.00 1.00 H new ATOM 0 HG22 VAL A 33 33.145 -10.952 -0.837 1.00 1.00 H new ATOM 0 HG23 VAL A 33 34.556 -11.846 -1.449 1.00 1.00 H new ATOM 514 N PRO A 34 33.934 -14.129 -2.258 1.00 1.00 N ATOM 515 CA PRO A 34 34.428 -15.178 -1.308 1.00 1.00 C ATOM 516 C PRO A 34 34.605 -14.635 0.113 1.00 1.00 C ATOM 517 O PRO A 34 34.935 -13.463 0.301 1.00 1.00 O ATOM 518 CB PRO A 34 35.781 -15.625 -1.901 1.00 1.00 C ATOM 519 CG PRO A 34 35.763 -15.181 -3.332 1.00 1.00 C ATOM 520 CD PRO A 34 34.874 -13.936 -3.387 1.00 1.00 C ATOM 0 HA PRO A 34 33.717 -15.999 -1.211 1.00 1.00 H new ATOM 0 HB2 PRO A 34 36.613 -15.173 -1.361 1.00 1.00 H new ATOM 0 HB3 PRO A 34 35.903 -16.706 -1.828 1.00 1.00 H new ATOM 0 HG2 PRO A 34 36.770 -14.955 -3.681 1.00 1.00 H new ATOM 0 HG3 PRO A 34 35.371 -15.967 -3.978 1.00 1.00 H new ATOM 0 HD2 PRO A 34 35.457 -13.022 -3.272 1.00 1.00 H new ATOM 0 HD3 PRO A 34 34.348 -13.861 -4.339 1.00 1.00 H new ATOM 528 N ASN A 35 34.384 -15.499 1.110 1.00 1.00 N ATOM 529 CA ASN A 35 34.523 -15.099 2.513 1.00 1.00 C ATOM 530 C ASN A 35 35.933 -15.431 3.028 1.00 1.00 C ATOM 531 O ASN A 35 36.554 -14.627 3.720 1.00 1.00 O ATOM 532 CB ASN A 35 33.461 -15.823 3.375 1.00 1.00 C ATOM 533 CG ASN A 35 32.602 -14.825 4.154 1.00 1.00 C ATOM 534 OD1 ASN A 35 31.581 -14.356 3.651 1.00 1.00 O ATOM 535 ND2 ASN A 35 32.960 -14.473 5.358 1.00 1.00 N ATOM 0 H ASN A 35 34.110 -16.472 0.973 1.00 1.00 H new ATOM 0 HA ASN A 35 34.370 -14.022 2.587 1.00 1.00 H new ATOM 0 HB2 ASN A 35 32.823 -16.432 2.734 1.00 1.00 H new ATOM 0 HB3 ASN A 35 33.955 -16.501 4.071 1.00 1.00 H new ATOM 0 HD21 ASN A 35 32.394 -13.808 5.885 1.00 1.00 H new ATOM 0 HD22 ASN A 35 33.806 -14.863 5.773 1.00 1.00 H new ATOM 542 N PRO A 36 36.432 -16.602 2.712 1.00 1.00 N ATOM 543 CA PRO A 36 37.786 -17.053 3.159 1.00 1.00 C ATOM 544 C PRO A 36 38.876 -16.103 2.678 1.00 1.00 C ATOM 545 O PRO A 36 39.984 -16.089 3.214 1.00 1.00 O ATOM 546 CB PRO A 36 37.939 -18.460 2.541 1.00 1.00 C ATOM 547 CG PRO A 36 36.542 -18.903 2.237 1.00 1.00 C ATOM 548 CD PRO A 36 35.767 -17.632 1.898 1.00 1.00 C ATOM 0 HA PRO A 36 37.883 -17.068 4.245 1.00 1.00 H new ATOM 0 HB2 PRO A 36 38.549 -18.430 1.638 1.00 1.00 H new ATOM 0 HB3 PRO A 36 38.428 -19.144 3.234 1.00 1.00 H new ATOM 0 HG2 PRO A 36 36.527 -19.604 1.403 1.00 1.00 H new ATOM 0 HG3 PRO A 36 36.099 -19.415 3.092 1.00 1.00 H new ATOM 0 HD2 PRO A 36 35.820 -17.400 0.834 1.00 1.00 H new ATOM 0 HD3 PRO A 36 34.711 -17.725 2.152 1.00 1.00 H new ATOM 556 N ASP A 37 38.552 -15.306 1.673 1.00 1.00 N ATOM 557 CA ASP A 37 39.517 -14.348 1.148 1.00 1.00 C ATOM 558 C ASP A 37 39.708 -13.213 2.149 1.00 1.00 C ATOM 559 O ASP A 37 40.597 -12.378 1.990 1.00 1.00 O ATOM 560 CB ASP A 37 39.054 -13.776 -0.200 1.00 1.00 C ATOM 561 CG ASP A 37 40.102 -12.809 -0.736 1.00 1.00 C ATOM 562 OD1 ASP A 37 41.224 -13.238 -0.943 1.00 1.00 O ATOM 563 OD2 ASP A 37 39.765 -11.653 -0.934 1.00 1.00 O ATOM 0 H ASP A 37 37.644 -15.300 1.209 1.00 1.00 H new ATOM 0 HA ASP A 37 40.463 -14.866 0.991 1.00 1.00 H new ATOM 0 HB2 ASP A 37 38.893 -14.585 -0.913 1.00 1.00 H new ATOM 0 HB3 ASP A 37 38.100 -13.263 -0.080 1.00 1.00 H new ATOM 568 N TYR A 38 38.859 -13.192 3.180 1.00 1.00 N ATOM 569 CA TYR A 38 38.933 -12.151 4.209 1.00 1.00 C ATOM 570 C TYR A 38 38.364 -12.685 5.533 1.00 1.00 C ATOM 571 O TYR A 38 37.245 -12.356 5.922 1.00 1.00 O ATOM 572 CB TYR A 38 38.148 -10.907 3.712 1.00 1.00 C ATOM 573 CG TYR A 38 38.903 -9.622 4.005 1.00 1.00 C ATOM 574 CD1 TYR A 38 40.202 -9.445 3.505 1.00 1.00 C ATOM 575 CD2 TYR A 38 38.305 -8.607 4.766 1.00 1.00 C ATOM 576 CE1 TYR A 38 40.899 -8.263 3.768 1.00 1.00 C ATOM 577 CE2 TYR A 38 39.004 -7.422 5.028 1.00 1.00 C ATOM 578 CZ TYR A 38 40.302 -7.250 4.530 1.00 1.00 C ATOM 579 OH TYR A 38 40.991 -6.082 4.791 1.00 1.00 O ATOM 0 H TYR A 38 38.118 -13.878 3.324 1.00 1.00 H new ATOM 0 HA TYR A 38 39.969 -11.864 4.389 1.00 1.00 H new ATOM 0 HB2 TYR A 38 37.972 -10.991 2.640 1.00 1.00 H new ATOM 0 HB3 TYR A 38 37.171 -10.875 4.194 1.00 1.00 H new ATOM 0 HD1 TYR A 38 40.664 -10.224 2.916 1.00 1.00 H new ATOM 0 HD2 TYR A 38 37.304 -8.739 5.150 1.00 1.00 H new ATOM 0 HE1 TYR A 38 41.899 -8.130 3.383 1.00 1.00 H new ATOM 0 HE2 TYR A 38 38.542 -6.641 5.614 1.00 1.00 H new ATOM 0 HH TYR A 38 40.431 -5.486 5.331 1.00 1.00 H new ATOM 589 N GLU A 39 39.153 -13.520 6.211 1.00 1.00 N ATOM 590 CA GLU A 39 38.737 -14.117 7.485 1.00 1.00 C ATOM 591 C GLU A 39 39.852 -14.972 8.118 1.00 1.00 C ATOM 592 O GLU A 39 39.949 -15.032 9.345 1.00 1.00 O ATOM 593 CB GLU A 39 37.481 -14.980 7.285 1.00 1.00 C ATOM 594 CG GLU A 39 37.036 -15.558 8.629 1.00 1.00 C ATOM 595 CD GLU A 39 35.640 -16.157 8.498 1.00 1.00 C ATOM 596 OE1 GLU A 39 35.049 -16.009 7.441 1.00 1.00 O ATOM 597 OE2 GLU A 39 35.182 -16.756 9.457 1.00 1.00 O ATOM 0 H GLU A 39 40.084 -13.799 5.901 1.00 1.00 H new ATOM 0 HA GLU A 39 38.517 -13.295 8.166 1.00 1.00 H new ATOM 0 HB2 GLU A 39 36.680 -14.380 6.853 1.00 1.00 H new ATOM 0 HB3 GLU A 39 37.690 -15.787 6.582 1.00 1.00 H new ATOM 0 HG2 GLU A 39 37.740 -16.323 8.957 1.00 1.00 H new ATOM 0 HG3 GLU A 39 37.036 -14.777 9.389 1.00 1.00 H new ATOM 604 N PRO A 40 40.684 -15.638 7.337 1.00 1.00 N ATOM 605 CA PRO A 40 41.787 -16.497 7.890 1.00 1.00 C ATOM 606 C PRO A 40 42.818 -15.706 8.711 1.00 1.00 C ATOM 607 O PRO A 40 43.979 -16.100 8.807 1.00 1.00 O ATOM 608 CB PRO A 40 42.428 -17.136 6.636 1.00 1.00 C ATOM 609 CG PRO A 40 41.412 -16.973 5.550 1.00 1.00 C ATOM 610 CD PRO A 40 40.682 -15.674 5.865 1.00 1.00 C ATOM 0 HA PRO A 40 41.402 -17.233 8.596 1.00 1.00 H new ATOM 0 HB2 PRO A 40 43.364 -16.641 6.377 1.00 1.00 H new ATOM 0 HB3 PRO A 40 42.659 -18.188 6.804 1.00 1.00 H new ATOM 0 HG2 PRO A 40 41.889 -16.927 4.571 1.00 1.00 H new ATOM 0 HG3 PRO A 40 40.721 -17.816 5.529 1.00 1.00 H new ATOM 0 HD2 PRO A 40 41.194 -14.811 5.440 1.00 1.00 H new ATOM 0 HD3 PRO A 40 39.669 -15.673 5.463 1.00 1.00 H new ATOM 618 N ILE A 41 42.382 -14.600 9.303 1.00 1.00 N ATOM 619 CA ILE A 41 43.264 -13.769 10.116 1.00 1.00 C ATOM 620 C ILE A 41 43.547 -14.441 11.451 1.00 1.00 C ATOM 621 O ILE A 41 44.374 -13.976 12.235 1.00 1.00 O ATOM 622 CB ILE A 41 42.618 -12.403 10.366 1.00 1.00 C ATOM 623 CG1 ILE A 41 42.438 -11.671 9.034 1.00 1.00 C ATOM 624 CG2 ILE A 41 43.510 -11.568 11.297 1.00 1.00 C ATOM 625 CD1 ILE A 41 41.538 -10.455 9.249 1.00 1.00 C ATOM 0 H ILE A 41 41.424 -14.258 9.236 1.00 1.00 H new ATOM 0 HA ILE A 41 44.202 -13.636 9.576 1.00 1.00 H new ATOM 0 HB ILE A 41 41.645 -12.546 10.836 1.00 1.00 H new ATOM 0 HG12 ILE A 41 43.406 -11.358 8.643 1.00 1.00 H new ATOM 0 HG13 ILE A 41 41.997 -12.339 8.294 1.00 1.00 H new ATOM 0 HG21 ILE A 41 43.046 -10.597 11.471 1.00 1.00 H new ATOM 0 HG22 ILE A 41 43.632 -12.088 12.247 1.00 1.00 H new ATOM 0 HG23 ILE A 41 44.486 -11.425 10.834 1.00 1.00 H new ATOM 0 HD11 ILE A 41 41.406 -9.929 8.304 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.567 -10.782 9.621 1.00 1.00 H new ATOM 0 HD13 ILE A 41 41.998 -9.786 9.976 1.00 1.00 H new ATOM 637 N ARG A 42 42.841 -15.527 11.701 1.00 1.00 N ATOM 638 CA ARG A 42 43.003 -16.258 12.956 1.00 1.00 C ATOM 639 C ARG A 42 44.470 -16.562 13.205 1.00 1.00 C ATOM 640 O ARG A 42 44.935 -16.508 14.344 1.00 1.00 O ATOM 641 CB ARG A 42 42.205 -17.565 12.923 1.00 1.00 C ATOM 642 CG ARG A 42 40.715 -17.267 12.706 1.00 1.00 C ATOM 643 CD ARG A 42 40.139 -16.500 13.905 1.00 1.00 C ATOM 644 NE ARG A 42 38.691 -16.685 13.966 1.00 1.00 N ATOM 645 CZ ARG A 42 37.884 -15.742 14.451 1.00 1.00 C ATOM 646 NH1 ARG A 42 38.376 -14.614 14.890 1.00 1.00 N ATOM 647 NH2 ARG A 42 36.596 -15.949 14.489 1.00 1.00 N ATOM 0 H ARG A 42 42.153 -15.925 11.061 1.00 1.00 H new ATOM 0 HA ARG A 42 42.626 -15.633 13.765 1.00 1.00 H new ATOM 0 HB2 ARG A 42 42.576 -18.207 12.124 1.00 1.00 H new ATOM 0 HB3 ARG A 42 42.343 -18.108 13.858 1.00 1.00 H new ATOM 0 HG2 ARG A 42 40.584 -16.682 11.796 1.00 1.00 H new ATOM 0 HG3 ARG A 42 40.168 -18.200 12.567 1.00 1.00 H new ATOM 0 HD2 ARG A 42 40.598 -16.853 14.828 1.00 1.00 H new ATOM 0 HD3 ARG A 42 40.375 -15.440 13.817 1.00 1.00 H new ATOM 0 HE ARG A 42 38.287 -17.559 13.629 1.00 1.00 H new ATOM 0 HH11 ARG A 42 39.383 -14.452 14.863 1.00 1.00 H new ATOM 0 HH12 ARG A 42 37.753 -13.896 15.260 1.00 1.00 H new ATOM 0 HH21 ARG A 42 36.211 -16.830 14.148 1.00 1.00 H new ATOM 0 HH22 ARG A 42 35.975 -15.230 14.859 1.00 1.00 H new ATOM 661 N LYS A 43 45.175 -16.873 12.126 1.00 1.00 N ATOM 662 CA LYS A 43 46.609 -17.188 12.157 1.00 1.00 C ATOM 663 C LYS A 43 47.287 -16.660 13.434 1.00 1.00 C ATOM 664 O LYS A 43 47.480 -15.457 13.593 1.00 1.00 O ATOM 665 CB LYS A 43 47.289 -16.573 10.925 1.00 1.00 C ATOM 666 CG LYS A 43 46.753 -15.152 10.685 1.00 1.00 C ATOM 667 CD LYS A 43 47.747 -14.359 9.831 1.00 1.00 C ATOM 668 CE LYS A 43 47.816 -14.963 8.428 1.00 1.00 C ATOM 669 NZ LYS A 43 48.539 -14.027 7.522 1.00 1.00 N ATOM 0 H LYS A 43 44.769 -16.916 11.191 1.00 1.00 H new ATOM 0 HA LYS A 43 46.715 -18.273 12.150 1.00 1.00 H new ATOM 0 HB2 LYS A 43 48.369 -16.544 11.072 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.103 -17.194 10.049 1.00 1.00 H new ATOM 0 HG2 LYS A 43 45.786 -15.198 10.185 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.595 -14.647 11.638 1.00 1.00 H new ATOM 0 HD2 LYS A 43 47.440 -13.315 9.773 1.00 1.00 H new ATOM 0 HD3 LYS A 43 48.734 -14.376 10.294 1.00 1.00 H new ATOM 0 HE2 LYS A 43 48.328 -15.925 8.459 1.00 1.00 H new ATOM 0 HE3 LYS A 43 46.811 -15.149 8.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 48.587 -14.436 6.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 48.033 -13.119 7.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.503 -13.871 7.881 1.00 1.00 H new ATOM 683 N GLY A 44 47.621 -17.572 14.346 1.00 1.00 N ATOM 684 CA GLY A 44 48.256 -17.200 15.623 1.00 1.00 C ATOM 685 C GLY A 44 49.148 -15.965 15.497 1.00 1.00 C ATOM 686 O GLY A 44 48.939 -14.969 16.190 1.00 1.00 O ATOM 0 H GLY A 44 47.465 -18.573 14.231 1.00 1.00 H new ATOM 0 HA2 GLY A 44 47.483 -17.011 16.368 1.00 1.00 H new ATOM 0 HA3 GLY A 44 48.851 -18.038 15.987 1.00 1.00 H new ATOM 690 N GLN A 45 50.141 -16.034 14.617 1.00 1.00 N ATOM 691 CA GLN A 45 51.052 -14.903 14.425 1.00 1.00 C ATOM 692 C GLN A 45 51.670 -14.479 15.754 1.00 1.00 C ATOM 693 O GLN A 45 51.223 -13.519 16.382 1.00 1.00 O ATOM 694 CB GLN A 45 50.275 -13.728 13.834 1.00 1.00 C ATOM 695 CG GLN A 45 51.223 -12.571 13.502 1.00 1.00 C ATOM 696 CD GLN A 45 50.413 -11.358 13.066 1.00 1.00 C ATOM 697 OE1 GLN A 45 50.553 -10.884 11.938 1.00 1.00 O ATOM 698 NE2 GLN A 45 49.563 -10.826 13.902 1.00 1.00 N ATOM 0 H GLN A 45 50.337 -16.846 14.032 1.00 1.00 H new ATOM 0 HA GLN A 45 51.851 -15.206 13.748 1.00 1.00 H new ATOM 0 HB2 GLN A 45 49.751 -14.047 12.933 1.00 1.00 H new ATOM 0 HB3 GLN A 45 49.517 -13.393 14.542 1.00 1.00 H new ATOM 0 HG2 GLN A 45 51.829 -12.322 14.373 1.00 1.00 H new ATOM 0 HG3 GLN A 45 51.910 -12.866 12.709 1.00 1.00 H new ATOM 0 HE21 GLN A 45 49.450 -11.222 14.835 1.00 1.00 H new ATOM 0 HE22 GLN A 45 49.012 -10.015 13.622 1.00 1.00 H new ATOM 707 N ARG A 46 52.702 -15.199 16.167 1.00 1.00 N ATOM 708 CA ARG A 46 53.389 -14.892 17.420 1.00 1.00 C ATOM 709 C ARG A 46 54.675 -15.700 17.542 1.00 1.00 C ATOM 710 O ARG A 46 55.646 -15.255 18.154 1.00 1.00 O ATOM 711 CB ARG A 46 52.473 -15.195 18.605 1.00 1.00 C ATOM 712 CG ARG A 46 51.956 -16.630 18.495 1.00 1.00 C ATOM 713 CD ARG A 46 51.029 -16.927 19.673 1.00 1.00 C ATOM 714 NE ARG A 46 51.787 -16.955 20.917 1.00 1.00 N ATOM 715 CZ ARG A 46 51.175 -17.068 22.089 1.00 1.00 C ATOM 716 NH1 ARG A 46 49.874 -17.146 22.139 1.00 1.00 N ATOM 717 NH2 ARG A 46 51.875 -17.099 23.191 1.00 1.00 N ATOM 0 H ARG A 46 53.083 -15.997 15.658 1.00 1.00 H new ATOM 0 HA ARG A 46 53.644 -13.832 17.422 1.00 1.00 H new ATOM 0 HB2 ARG A 46 53.016 -15.063 19.541 1.00 1.00 H new ATOM 0 HB3 ARG A 46 51.637 -14.496 18.620 1.00 1.00 H new ATOM 0 HG2 ARG A 46 51.422 -16.765 17.555 1.00 1.00 H new ATOM 0 HG3 ARG A 46 52.792 -17.330 18.490 1.00 1.00 H new ATOM 0 HD2 ARG A 46 50.249 -16.168 19.731 1.00 1.00 H new ATOM 0 HD3 ARG A 46 50.531 -17.885 19.521 1.00 1.00 H new ATOM 0 HE ARG A 46 52.804 -16.887 20.887 1.00 1.00 H new ATOM 0 HH11 ARG A 46 49.328 -17.120 21.278 1.00 1.00 H new ATOM 0 HH12 ARG A 46 49.403 -17.233 23.039 1.00 1.00 H new ATOM 0 HH21 ARG A 46 52.892 -17.036 23.151 1.00 1.00 H new ATOM 0 HH22 ARG A 46 51.404 -17.186 24.092 1.00 1.00 H new ATOM 731 N ASP A 47 54.671 -16.887 16.955 1.00 1.00 N ATOM 732 CA ASP A 47 55.835 -17.759 16.993 1.00 1.00 C ATOM 733 C ASP A 47 56.840 -17.349 15.929 1.00 1.00 C ATOM 734 O ASP A 47 57.903 -17.957 15.798 1.00 1.00 O ATOM 735 CB ASP A 47 55.408 -19.205 16.755 1.00 1.00 C ATOM 736 CG ASP A 47 54.608 -19.305 15.461 1.00 1.00 C ATOM 737 OD1 ASP A 47 54.183 -18.272 14.970 1.00 1.00 O ATOM 738 OD2 ASP A 47 54.431 -20.412 14.979 1.00 1.00 O ATOM 0 H ASP A 47 53.874 -17.269 16.446 1.00 1.00 H new ATOM 0 HA ASP A 47 56.301 -17.672 17.975 1.00 1.00 H new ATOM 0 HB2 ASP A 47 56.286 -19.848 16.700 1.00 1.00 H new ATOM 0 HB3 ASP A 47 54.806 -19.558 17.593 1.00 1.00 H new ATOM 743 N LEU A 48 56.501 -16.314 15.171 1.00 1.00 N ATOM 744 CA LEU A 48 57.391 -15.833 14.121 1.00 1.00 C ATOM 745 C LEU A 48 58.480 -14.955 14.727 1.00 1.00 C ATOM 746 O LEU A 48 59.351 -14.452 14.021 1.00 1.00 O ATOM 747 CB LEU A 48 56.597 -15.035 13.070 1.00 1.00 C ATOM 748 CG LEU A 48 57.367 -15.001 11.729 1.00 1.00 C ATOM 749 CD1 LEU A 48 57.045 -16.255 10.902 1.00 1.00 C ATOM 750 CD2 LEU A 48 56.965 -13.755 10.929 1.00 1.00 C ATOM 0 H LEU A 48 55.627 -15.796 15.261 1.00 1.00 H new ATOM 0 HA LEU A 48 57.853 -16.691 13.632 1.00 1.00 H new ATOM 0 HB2 LEU A 48 55.617 -15.489 12.923 1.00 1.00 H new ATOM 0 HB3 LEU A 48 56.428 -14.019 13.426 1.00 1.00 H new ATOM 0 HG LEU A 48 58.436 -14.972 11.941 1.00 1.00 H new ATOM 0 HD11 LEU A 48 57.593 -16.220 9.960 1.00 1.00 H new ATOM 0 HD12 LEU A 48 57.339 -17.144 11.460 1.00 1.00 H new ATOM 0 HD13 LEU A 48 55.975 -16.292 10.698 1.00 1.00 H new ATOM 0 HD21 LEU A 48 57.511 -13.737 9.986 1.00 1.00 H new ATOM 0 HD22 LEU A 48 55.894 -13.781 10.728 1.00 1.00 H new ATOM 0 HD23 LEU A 48 57.204 -12.861 11.504 1.00 1.00 H new ATOM 762 N TYR A 49 58.418 -14.772 16.045 1.00 1.00 N ATOM 763 CA TYR A 49 59.407 -13.949 16.750 1.00 1.00 C ATOM 764 C TYR A 49 60.426 -14.827 17.472 1.00 1.00 C ATOM 765 O TYR A 49 61.457 -14.339 17.937 1.00 1.00 O ATOM 766 CB TYR A 49 58.712 -13.034 17.764 1.00 1.00 C ATOM 767 CG TYR A 49 59.721 -12.070 18.338 1.00 1.00 C ATOM 768 CD1 TYR A 49 60.128 -10.960 17.588 1.00 1.00 C ATOM 769 CD2 TYR A 49 60.254 -12.286 19.615 1.00 1.00 C ATOM 770 CE1 TYR A 49 61.066 -10.064 18.116 1.00 1.00 C ATOM 771 CE2 TYR A 49 61.191 -11.391 20.143 1.00 1.00 C ATOM 772 CZ TYR A 49 61.598 -10.280 19.393 1.00 1.00 C ATOM 773 OH TYR A 49 62.522 -9.398 19.914 1.00 1.00 O ATOM 0 H TYR A 49 57.700 -15.178 16.645 1.00 1.00 H new ATOM 0 HA TYR A 49 59.927 -13.340 16.011 1.00 1.00 H new ATOM 0 HB2 TYR A 49 57.902 -12.487 17.282 1.00 1.00 H new ATOM 0 HB3 TYR A 49 58.265 -13.628 18.561 1.00 1.00 H new ATOM 0 HD1 TYR A 49 59.719 -10.795 16.602 1.00 1.00 H new ATOM 0 HD2 TYR A 49 59.942 -13.144 20.192 1.00 1.00 H new ATOM 0 HE1 TYR A 49 61.379 -9.207 17.538 1.00 1.00 H new ATOM 0 HE2 TYR A 49 61.600 -11.557 21.129 1.00 1.00 H new ATOM 0 HH TYR A 49 62.788 -9.694 20.810 1.00 1.00 H new ATOM 783 N SER A 50 60.137 -16.124 17.564 1.00 1.00 N ATOM 784 CA SER A 50 61.041 -17.056 18.234 1.00 1.00 C ATOM 785 C SER A 50 62.134 -17.528 17.281 1.00 1.00 C ATOM 786 O SER A 50 63.283 -17.702 17.679 1.00 1.00 O ATOM 787 CB SER A 50 60.256 -18.263 18.746 1.00 1.00 C ATOM 788 OG SER A 50 59.881 -19.078 17.645 1.00 1.00 O ATOM 0 H SER A 50 59.291 -16.550 17.186 1.00 1.00 H new ATOM 0 HA SER A 50 61.507 -16.539 19.073 1.00 1.00 H new ATOM 0 HB2 SER A 50 60.863 -18.836 19.447 1.00 1.00 H new ATOM 0 HB3 SER A 50 59.370 -17.932 19.287 1.00 1.00 H new ATOM 0 HG SER A 50 59.206 -18.612 17.108 1.00 1.00 H new ATOM 794 N GLY A 51 61.764 -17.738 16.023 1.00 1.00 N ATOM 795 CA GLY A 51 62.728 -18.198 15.018 1.00 1.00 C ATOM 796 C GLY A 51 63.746 -17.112 14.689 1.00 1.00 C ATOM 797 O GLY A 51 64.861 -17.407 14.257 1.00 1.00 O ATOM 0 H GLY A 51 60.816 -17.600 15.673 1.00 1.00 H new ATOM 0 HA2 GLY A 51 63.245 -19.084 15.386 1.00 1.00 H new ATOM 0 HA3 GLY A 51 62.199 -18.491 14.111 1.00 1.00 H new ATOM 801 N LEU A 52 63.355 -15.856 14.881 1.00 1.00 N ATOM 802 CA LEU A 52 64.248 -14.736 14.583 1.00 1.00 C ATOM 803 C LEU A 52 65.234 -14.513 15.725 1.00 1.00 C ATOM 804 O LEU A 52 66.144 -13.691 15.614 1.00 1.00 O ATOM 805 CB LEU A 52 63.441 -13.446 14.334 1.00 1.00 C ATOM 806 CG LEU A 52 62.828 -13.458 12.919 1.00 1.00 C ATOM 807 CD1 LEU A 52 63.911 -13.224 11.848 1.00 1.00 C ATOM 808 CD2 LEU A 52 62.138 -14.805 12.666 1.00 1.00 C ATOM 0 H LEU A 52 62.438 -15.588 15.237 1.00 1.00 H new ATOM 0 HA LEU A 52 64.805 -14.984 13.679 1.00 1.00 H new ATOM 0 HB2 LEU A 52 62.650 -13.355 15.079 1.00 1.00 H new ATOM 0 HB3 LEU A 52 64.089 -12.577 14.449 1.00 1.00 H new ATOM 0 HG LEU A 52 62.097 -12.652 12.854 1.00 1.00 H new ATOM 0 HD11 LEU A 52 63.453 -13.237 10.859 1.00 1.00 H new ATOM 0 HD12 LEU A 52 64.386 -12.257 12.016 1.00 1.00 H new ATOM 0 HD13 LEU A 52 64.661 -14.012 11.911 1.00 1.00 H new ATOM 0 HD21 LEU A 52 61.706 -14.810 11.665 1.00 1.00 H new ATOM 0 HD22 LEU A 52 62.869 -15.610 12.750 1.00 1.00 H new ATOM 0 HD23 LEU A 52 61.349 -14.954 13.403 1.00 1.00 H new ATOM 820 N ASN A 53 65.058 -15.245 16.822 1.00 1.00 N ATOM 821 CA ASN A 53 65.966 -15.095 17.962 1.00 1.00 C ATOM 822 C ASN A 53 67.415 -15.078 17.495 1.00 1.00 C ATOM 823 O ASN A 53 68.291 -14.576 18.199 1.00 1.00 O ATOM 824 CB ASN A 53 65.767 -16.223 18.989 1.00 1.00 C ATOM 825 CG ASN A 53 65.812 -17.584 18.301 1.00 1.00 C ATOM 826 OD1 ASN A 53 65.747 -18.617 18.966 1.00 1.00 O ATOM 827 ND2 ASN A 53 65.920 -17.648 17.002 1.00 1.00 N ATOM 0 H ASN A 53 64.315 -15.932 16.948 1.00 1.00 H new ATOM 0 HA ASN A 53 65.733 -14.145 18.443 1.00 1.00 H new ATOM 0 HB2 ASN A 53 66.543 -16.169 19.753 1.00 1.00 H new ATOM 0 HB3 ASN A 53 64.811 -16.097 19.497 1.00 1.00 H new ATOM 0 HD21 ASN A 53 65.951 -18.555 16.537 1.00 1.00 H new ATOM 0 HD22 ASN A 53 65.974 -16.791 16.452 1.00 1.00 H new ATOM 834 N GLN A 54 67.673 -15.629 16.311 1.00 1.00 N ATOM 835 CA GLN A 54 69.037 -15.660 15.789 1.00 1.00 C ATOM 836 C GLN A 54 69.963 -16.321 16.808 1.00 1.00 C ATOM 837 O GLN A 54 71.170 -16.419 16.596 1.00 1.00 O ATOM 838 CB GLN A 54 69.508 -14.228 15.503 1.00 1.00 C ATOM 839 CG GLN A 54 70.735 -14.245 14.584 1.00 1.00 C ATOM 840 CD GLN A 54 71.092 -12.821 14.172 1.00 1.00 C ATOM 841 OE1 GLN A 54 72.261 -12.438 14.212 1.00 1.00 O ATOM 842 NE2 GLN A 54 70.149 -12.011 13.776 1.00 1.00 N ATOM 0 H GLN A 54 66.970 -16.053 15.705 1.00 1.00 H new ATOM 0 HA GLN A 54 69.060 -16.236 14.864 1.00 1.00 H new ATOM 0 HB2 GLN A 54 68.703 -13.660 15.036 1.00 1.00 H new ATOM 0 HB3 GLN A 54 69.753 -13.725 16.438 1.00 1.00 H new ATOM 0 HG2 GLN A 54 71.578 -14.707 15.097 1.00 1.00 H new ATOM 0 HG3 GLN A 54 70.530 -14.849 13.700 1.00 1.00 H new ATOM 0 HE21 GLN A 54 69.181 -12.332 13.744 1.00 1.00 H new ATOM 0 HE22 GLN A 54 70.379 -11.057 13.498 1.00 1.00 H new ATOM 851 N ARG A 55 69.382 -16.775 17.920 1.00 1.00 N ATOM 852 CA ARG A 55 70.161 -17.427 18.971 1.00 1.00 C ATOM 853 C ARG A 55 71.175 -16.458 19.567 1.00 1.00 C ATOM 854 O ARG A 55 72.242 -16.233 18.996 1.00 1.00 O ATOM 855 CB ARG A 55 70.900 -18.646 18.409 1.00 1.00 C ATOM 856 CG ARG A 55 71.403 -19.533 19.563 1.00 1.00 C ATOM 857 CD ARG A 55 70.317 -20.534 19.976 1.00 1.00 C ATOM 858 NE ARG A 55 70.770 -21.335 21.106 1.00 1.00 N ATOM 859 CZ ARG A 55 69.962 -22.212 21.692 1.00 1.00 C ATOM 860 NH1 ARG A 55 68.740 -22.364 21.260 1.00 1.00 N ATOM 861 NH2 ARG A 55 70.390 -22.920 22.701 1.00 1.00 N ATOM 0 H ARG A 55 68.383 -16.704 18.114 1.00 1.00 H new ATOM 0 HA ARG A 55 69.471 -17.749 19.751 1.00 1.00 H new ATOM 0 HB2 ARG A 55 70.235 -19.218 17.762 1.00 1.00 H new ATOM 0 HB3 ARG A 55 71.740 -18.321 17.795 1.00 1.00 H new ATOM 0 HG2 ARG A 55 72.302 -20.067 19.255 1.00 1.00 H new ATOM 0 HG3 ARG A 55 71.678 -18.912 20.415 1.00 1.00 H new ATOM 0 HD2 ARG A 55 69.404 -20.001 20.242 1.00 1.00 H new ATOM 0 HD3 ARG A 55 70.073 -21.184 19.135 1.00 1.00 H new ATOM 0 HE ARG A 55 71.722 -21.221 21.453 1.00 1.00 H new ATOM 0 HH11 ARG A 55 68.405 -21.809 20.472 1.00 1.00 H new ATOM 0 HH12 ARG A 55 68.120 -23.037 21.710 1.00 1.00 H new ATOM 0 HH21 ARG A 55 71.345 -22.800 23.040 1.00 1.00 H new ATOM 0 HH22 ARG A 55 69.770 -23.593 23.151 1.00 1.00 H new ATOM 875 N ALA A 56 70.835 -15.890 20.719 1.00 1.00 N ATOM 876 CA ALA A 56 71.730 -14.942 21.390 1.00 1.00 C ATOM 877 C ALA A 56 72.380 -14.009 20.375 1.00 1.00 C ATOM 878 O ALA A 56 73.603 -13.987 20.230 1.00 1.00 O ATOM 879 CB ALA A 56 72.819 -15.699 22.151 1.00 1.00 C ATOM 0 H ALA A 56 69.956 -16.064 21.207 1.00 1.00 H new ATOM 0 HA ALA A 56 71.140 -14.350 22.090 1.00 1.00 H new ATOM 0 HB1 ALA A 56 73.479 -14.987 22.646 1.00 1.00 H new ATOM 0 HB2 ALA A 56 72.358 -16.346 22.897 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.397 -16.304 21.453 1.00 1.00 H new ATOM 885 N VAL A 57 71.549 -13.246 19.680 1.00 1.00 N ATOM 886 CA VAL A 57 72.036 -12.306 18.669 1.00 1.00 C ATOM 887 C VAL A 57 72.873 -13.033 17.620 1.00 1.00 C ATOM 888 O VAL A 57 73.069 -12.472 16.555 1.00 1.00 O ATOM 889 CB VAL A 57 72.878 -11.217 19.336 1.00 1.00 C ATOM 890 CG1 VAL A 57 73.473 -10.300 18.267 1.00 1.00 C ATOM 891 CG2 VAL A 57 71.992 -10.395 20.275 1.00 1.00 C ATOM 892 OXT VAL A 57 73.304 -14.141 17.895 1.00 1.00 O ATOM 0 H VAL A 57 70.535 -13.256 19.794 1.00 1.00 H new ATOM 0 HA VAL A 57 71.177 -11.850 18.176 1.00 1.00 H new ATOM 0 HB VAL A 57 73.685 -11.680 19.904 1.00 1.00 H new ATOM 0 HG11 VAL A 57 74.072 -9.525 18.745 1.00 1.00 H new ATOM 0 HG12 VAL A 57 74.103 -10.884 17.596 1.00 1.00 H new ATOM 0 HG13 VAL A 57 72.668 -9.836 17.697 1.00 1.00 H new ATOM 0 HG21 VAL A 57 72.590 -9.618 20.752 1.00 1.00 H new ATOM 0 HG22 VAL A 57 71.186 -9.934 19.704 1.00 1.00 H new ATOM 0 HG23 VAL A 57 71.568 -11.047 21.039 1.00 1.00 H new TER 902 VAL A 57