USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 596 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0957 F(o=-0.78,f=-0.096) USER MOD Single : A 12 LYS NZ :NH3+ 140:sc= -1.36 (180deg=-5.56!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.01 K(o=-2,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ 131:sc= -0.14 (180deg=-0.653) USER MOD Single : A 28 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.092) USER MOD Single : A 31 SER OG : rot -30:sc= -1.15 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 48 MET CE :methyl -158:sc= -0.0527 (180deg=-0.383) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -41:sc= 1.22 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 70 GLN : amide:sc= -1.81 X(o=-1.8,f=-2.2!) USER MOD Single : A 75 TYR OH : rot -67:sc= -0.667 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.613 K(o=-0.61,f=-1.7) USER MOD Single : A 80 GLN : amide:sc= 0.278 X(o=0.28,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.938 0.805 0.655 1.00 32.40 N ATOM 2 CA GLY A 1 2.180 0.060 0.563 1.00 70.12 C ATOM 3 C GLY A 1 3.359 0.941 0.202 1.00 41.42 C ATOM 4 O GLY A 1 3.667 1.899 0.912 1.00 31.02 O ATOM 0 H1 GLY A 1 0.163 0.158 0.904 1.00 32.40 H new ATOM 0 H2 GLY A 1 1.026 1.538 1.388 1.00 32.40 H new ATOM 0 H3 GLY A 1 0.734 1.254 -0.261 1.00 32.40 H new ATOM 0 HA2 GLY A 1 2.376 -0.432 1.516 1.00 70.12 H new ATOM 0 HA3 GLY A 1 2.074 -0.725 -0.186 1.00 70.12 H new ATOM 8 N ILE A 2 4.021 0.618 -0.904 1.00 22.43 N ATOM 9 CA ILE A 2 5.173 1.387 -1.357 1.00 3.24 C ATOM 10 C ILE A 2 4.814 2.261 -2.553 1.00 45.25 C ATOM 11 O ILE A 2 4.186 1.815 -3.513 1.00 71.14 O ATOM 12 CB ILE A 2 6.348 0.469 -1.740 1.00 65.50 C ATOM 13 CG1 ILE A 2 6.731 -0.427 -0.559 1.00 52.45 C ATOM 14 CG2 ILE A 2 7.542 1.296 -2.192 1.00 41.35 C ATOM 15 CD1 ILE A 2 7.632 -1.580 -0.942 1.00 51.44 C ATOM 0 H ILE A 2 3.779 -0.171 -1.503 1.00 22.43 H new ATOM 0 HA ILE A 2 5.476 2.022 -0.524 1.00 3.24 H new ATOM 0 HB ILE A 2 6.036 -0.167 -2.569 1.00 65.50 H new ATOM 0 HG12 ILE A 2 7.230 0.178 0.198 1.00 52.45 H new ATOM 0 HG13 ILE A 2 5.823 -0.822 -0.104 1.00 52.45 H new ATOM 0 HG21 ILE A 2 8.364 0.632 -2.459 1.00 41.35 H new ATOM 0 HG22 ILE A 2 7.263 1.895 -3.059 1.00 41.35 H new ATOM 0 HG23 ILE A 2 7.856 1.955 -1.382 1.00 41.35 H new ATOM 0 HD11 ILE A 2 7.862 -2.172 -0.056 1.00 51.44 H new ATOM 0 HD12 ILE A 2 7.127 -2.208 -1.677 1.00 51.44 H new ATOM 0 HD13 ILE A 2 8.557 -1.193 -1.370 1.00 51.44 H new ATOM 27 N PRO A 3 5.224 3.537 -2.498 1.00 41.32 N ATOM 28 CA PRO A 3 4.959 4.501 -3.571 1.00 23.22 C ATOM 29 C PRO A 3 5.758 4.197 -4.834 1.00 31.53 C ATOM 30 O PRO A 3 6.591 3.290 -4.850 1.00 65.21 O ATOM 31 CB PRO A 3 5.403 5.835 -2.966 1.00 51.32 C ATOM 32 CG PRO A 3 6.414 5.467 -1.936 1.00 32.02 C ATOM 33 CD PRO A 3 5.978 4.137 -1.385 1.00 11.53 C ATOM 0 HA PRO A 3 3.915 4.485 -3.885 1.00 23.22 H new ATOM 0 HB2 PRO A 3 5.831 6.490 -3.724 1.00 51.32 H new ATOM 0 HB3 PRO A 3 4.562 6.368 -2.522 1.00 51.32 H new ATOM 0 HG2 PRO A 3 7.410 5.401 -2.373 1.00 32.02 H new ATOM 0 HG3 PRO A 3 6.461 6.219 -1.149 1.00 32.02 H new ATOM 0 HD2 PRO A 3 6.831 3.521 -1.099 1.00 11.53 H new ATOM 0 HD3 PRO A 3 5.358 4.254 -0.496 1.00 11.53 H new ATOM 41 N LEU A 4 5.499 4.959 -5.890 1.00 13.21 N ATOM 42 CA LEU A 4 6.194 4.771 -7.158 1.00 43.44 C ATOM 43 C LEU A 4 7.381 5.723 -7.275 1.00 21.53 C ATOM 44 O LEU A 4 7.801 6.075 -8.377 1.00 24.23 O ATOM 45 CB LEU A 4 5.233 4.992 -8.327 1.00 53.25 C ATOM 46 CG LEU A 4 3.760 4.685 -8.053 1.00 23.04 C ATOM 47 CD1 LEU A 4 2.911 5.007 -9.272 1.00 40.34 C ATOM 48 CD2 LEU A 4 3.586 3.228 -7.649 1.00 12.21 C ATOM 0 H LEU A 4 4.812 5.713 -5.893 1.00 13.21 H new ATOM 0 HA LEU A 4 6.567 3.747 -7.191 1.00 43.44 H new ATOM 0 HB2 LEU A 4 5.314 6.031 -8.646 1.00 53.25 H new ATOM 0 HB3 LEU A 4 5.562 4.376 -9.163 1.00 53.25 H new ATOM 0 HG LEU A 4 3.425 5.313 -7.228 1.00 23.04 H new ATOM 0 HD11 LEU A 4 1.866 4.782 -9.058 1.00 40.34 H new ATOM 0 HD12 LEU A 4 3.012 6.064 -9.516 1.00 40.34 H new ATOM 0 HD13 LEU A 4 3.245 4.406 -10.117 1.00 40.34 H new ATOM 0 HD21 LEU A 4 2.532 3.027 -7.458 1.00 12.21 H new ATOM 0 HD22 LEU A 4 3.938 2.583 -8.454 1.00 12.21 H new ATOM 0 HD23 LEU A 4 4.163 3.029 -6.746 1.00 12.21 H new ATOM 60 N SER A 5 7.918 6.133 -6.130 1.00 63.13 N ATOM 61 CA SER A 5 9.056 7.045 -6.103 1.00 61.55 C ATOM 62 C SER A 5 10.192 6.471 -5.262 1.00 61.20 C ATOM 63 O SER A 5 11.365 6.616 -5.602 1.00 64.23 O ATOM 64 CB SER A 5 8.633 8.406 -5.549 1.00 12.11 C ATOM 65 OG SER A 5 9.665 9.364 -5.707 1.00 54.44 O ATOM 0 H SER A 5 7.584 5.848 -5.209 1.00 63.13 H new ATOM 0 HA SER A 5 9.412 7.172 -7.125 1.00 61.55 H new ATOM 0 HB2 SER A 5 7.734 8.747 -6.062 1.00 12.11 H new ATOM 0 HB3 SER A 5 8.380 8.310 -4.493 1.00 12.11 H new ATOM 0 HG SER A 5 9.369 10.226 -5.346 1.00 54.44 H new ATOM 71 N ASN A 6 9.833 5.819 -4.161 1.00 24.41 N ATOM 72 CA ASN A 6 10.822 5.223 -3.269 1.00 72.12 C ATOM 73 C ASN A 6 11.608 4.127 -3.983 1.00 13.02 C ATOM 74 O ASN A 6 12.839 4.120 -3.963 1.00 71.55 O ATOM 75 CB ASN A 6 10.138 4.649 -2.027 1.00 0.04 C ATOM 76 CG ASN A 6 11.083 4.537 -0.846 1.00 65.33 C ATOM 77 OD1 ASN A 6 11.811 3.428 -0.775 1.00 55.21 O flip ATOM 78 ND2 ASN A 6 11.159 5.436 -0.009 1.00 3.33 N flip ATOM 0 H ASN A 6 8.866 5.690 -3.865 1.00 24.41 H new ATOM 0 HA ASN A 6 11.518 6.005 -2.964 1.00 72.12 H new ATOM 0 HB2 ASN A 6 9.294 5.283 -1.755 1.00 0.04 H new ATOM 0 HB3 ASN A 6 9.734 3.664 -2.261 1.00 0.04 H new ATOM 0 HD21 ASN A 6 10.581 6.271 -0.103 1.00 3.33 H new ATOM 0 HD22 ASN A 6 11.800 5.346 0.779 1.00 3.33 H new ATOM 85 N ILE A 7 10.888 3.204 -4.612 1.00 12.24 N ATOM 86 CA ILE A 7 11.518 2.105 -5.333 1.00 14.04 C ATOM 87 C ILE A 7 12.574 2.619 -6.305 1.00 55.13 C ATOM 88 O ILE A 7 13.718 2.169 -6.288 1.00 64.41 O ATOM 89 CB ILE A 7 10.480 1.274 -6.111 1.00 1.43 C ATOM 90 CG1 ILE A 7 9.667 0.405 -5.150 1.00 73.50 C ATOM 91 CG2 ILE A 7 11.169 0.414 -7.159 1.00 22.40 C ATOM 92 CD1 ILE A 7 8.415 -0.174 -5.771 1.00 53.24 C ATOM 0 H ILE A 7 9.868 3.195 -4.637 1.00 12.24 H new ATOM 0 HA ILE A 7 11.994 1.469 -4.586 1.00 14.04 H new ATOM 0 HB ILE A 7 9.798 1.955 -6.620 1.00 1.43 H new ATOM 0 HG12 ILE A 7 10.295 -0.410 -4.790 1.00 73.50 H new ATOM 0 HG13 ILE A 7 9.389 1.001 -4.281 1.00 73.50 H new ATOM 0 HG21 ILE A 7 10.423 -0.167 -7.700 1.00 22.40 H new ATOM 0 HG22 ILE A 7 11.708 1.054 -7.858 1.00 22.40 H new ATOM 0 HG23 ILE A 7 11.871 -0.262 -6.671 1.00 22.40 H new ATOM 0 HD11 ILE A 7 7.889 -0.779 -5.032 1.00 53.24 H new ATOM 0 HD12 ILE A 7 7.767 0.636 -6.105 1.00 53.24 H new ATOM 0 HD13 ILE A 7 8.686 -0.797 -6.623 1.00 53.24 H new ATOM 104 N GLU A 8 12.180 3.566 -7.151 1.00 41.31 N ATOM 105 CA GLU A 8 13.094 4.142 -8.130 1.00 51.55 C ATOM 106 C GLU A 8 14.391 4.592 -7.465 1.00 45.42 C ATOM 107 O GLU A 8 15.481 4.188 -7.870 1.00 53.24 O ATOM 108 CB GLU A 8 12.435 5.327 -8.841 1.00 30.40 C ATOM 109 CG GLU A 8 11.288 4.927 -9.753 1.00 55.24 C ATOM 110 CD GLU A 8 10.762 6.090 -10.573 1.00 32.23 C ATOM 111 OE1 GLU A 8 11.019 7.250 -10.190 1.00 40.23 O ATOM 112 OE2 GLU A 8 10.093 5.838 -11.597 1.00 51.30 O ATOM 0 H GLU A 8 11.235 3.950 -7.178 1.00 41.31 H new ATOM 0 HA GLU A 8 13.331 3.372 -8.865 1.00 51.55 H new ATOM 0 HB2 GLU A 8 12.066 6.029 -8.093 1.00 30.40 H new ATOM 0 HB3 GLU A 8 13.188 5.853 -9.428 1.00 30.40 H new ATOM 0 HG2 GLU A 8 11.621 4.135 -10.424 1.00 55.24 H new ATOM 0 HG3 GLU A 8 10.477 4.515 -9.152 1.00 55.24 H new ATOM 119 N GLU A 9 14.265 5.432 -6.442 1.00 60.12 N ATOM 120 CA GLU A 9 15.428 5.938 -5.722 1.00 34.21 C ATOM 121 C GLU A 9 16.242 4.791 -5.129 1.00 14.30 C ATOM 122 O GLU A 9 17.457 4.721 -5.309 1.00 63.05 O ATOM 123 CB GLU A 9 14.990 6.895 -4.611 1.00 42.12 C ATOM 124 CG GLU A 9 14.200 8.091 -5.115 1.00 11.23 C ATOM 125 CD GLU A 9 15.085 9.160 -5.725 1.00 3.52 C ATOM 126 OE1 GLU A 9 15.651 9.970 -4.961 1.00 15.41 O ATOM 127 OE2 GLU A 9 15.213 9.187 -6.967 1.00 33.41 O ATOM 0 H GLU A 9 13.370 5.776 -6.094 1.00 60.12 H new ATOM 0 HA GLU A 9 16.056 6.478 -6.431 1.00 34.21 H new ATOM 0 HB2 GLU A 9 14.384 6.348 -3.889 1.00 42.12 H new ATOM 0 HB3 GLU A 9 15.873 7.251 -4.080 1.00 42.12 H new ATOM 0 HG2 GLU A 9 13.476 7.756 -5.858 1.00 11.23 H new ATOM 0 HG3 GLU A 9 13.633 8.521 -4.289 1.00 11.23 H new ATOM 134 N ARG A 10 15.562 3.896 -4.420 1.00 60.44 N ATOM 135 CA ARG A 10 16.221 2.753 -3.799 1.00 43.31 C ATOM 136 C ARG A 10 17.006 1.950 -4.832 1.00 51.25 C ATOM 137 O ARG A 10 18.229 1.839 -4.750 1.00 2.22 O ATOM 138 CB ARG A 10 15.191 1.854 -3.113 1.00 64.12 C ATOM 139 CG ARG A 10 14.835 2.300 -1.704 1.00 65.24 C ATOM 140 CD ARG A 10 15.652 1.554 -0.661 1.00 30.51 C ATOM 141 NE ARG A 10 14.869 0.518 0.009 1.00 44.23 N ATOM 142 CZ ARG A 10 14.031 0.763 1.009 1.00 35.32 C ATOM 143 NH1 ARG A 10 13.866 2.001 1.453 1.00 1.22 N ATOM 144 NH2 ARG A 10 13.354 -0.233 1.567 1.00 14.34 N ATOM 0 H ARG A 10 14.555 3.940 -4.261 1.00 60.44 H new ATOM 0 HA ARG A 10 16.919 3.130 -3.051 1.00 43.31 H new ATOM 0 HB2 ARG A 10 14.284 1.829 -3.717 1.00 64.12 H new ATOM 0 HB3 ARG A 10 15.578 0.836 -3.076 1.00 64.12 H new ATOM 0 HG2 ARG A 10 15.008 3.372 -1.606 1.00 65.24 H new ATOM 0 HG3 ARG A 10 13.773 2.131 -1.525 1.00 65.24 H new ATOM 0 HD2 ARG A 10 16.521 1.100 -1.138 1.00 30.51 H new ATOM 0 HD3 ARG A 10 16.027 2.261 0.079 1.00 30.51 H new ATOM 0 HE ARG A 10 14.972 -0.446 -0.309 1.00 44.23 H new ATOM 0 HH11 ARG A 10 14.384 2.769 1.026 1.00 1.22 H new ATOM 0 HH12 ARG A 10 13.221 2.185 2.222 1.00 1.22 H new ATOM 0 HH21 ARG A 10 13.478 -1.187 1.227 1.00 14.34 H new ATOM 0 HH22 ARG A 10 12.710 -0.045 2.335 1.00 14.34 H new ATOM 158 N VAL A 11 16.293 1.391 -5.805 1.00 42.24 N ATOM 159 CA VAL A 11 16.922 0.599 -6.855 1.00 61.23 C ATOM 160 C VAL A 11 18.161 1.297 -7.403 1.00 44.44 C ATOM 161 O VAL A 11 19.253 0.729 -7.418 1.00 62.42 O ATOM 162 CB VAL A 11 15.945 0.326 -8.014 1.00 41.24 C ATOM 163 CG1 VAL A 11 16.590 -0.576 -9.056 1.00 12.15 C ATOM 164 CG2 VAL A 11 14.655 -0.287 -7.490 1.00 65.34 C ATOM 0 H VAL A 11 15.280 1.472 -5.888 1.00 42.24 H new ATOM 0 HA VAL A 11 17.213 -0.350 -6.404 1.00 61.23 H new ATOM 0 HB VAL A 11 15.701 1.275 -8.492 1.00 41.24 H new ATOM 0 HG11 VAL A 11 15.885 -0.758 -9.867 1.00 12.15 H new ATOM 0 HG12 VAL A 11 17.483 -0.093 -9.453 1.00 12.15 H new ATOM 0 HG13 VAL A 11 16.865 -1.525 -8.596 1.00 12.15 H new ATOM 0 HG21 VAL A 11 13.976 -0.473 -8.322 1.00 65.34 H new ATOM 0 HG22 VAL A 11 14.878 -1.227 -6.986 1.00 65.34 H new ATOM 0 HG23 VAL A 11 14.186 0.400 -6.786 1.00 65.34 H new ATOM 174 N LYS A 12 17.986 2.535 -7.853 1.00 54.14 N ATOM 175 CA LYS A 12 19.089 3.314 -8.402 1.00 3.45 C ATOM 176 C LYS A 12 20.287 3.300 -7.457 1.00 50.50 C ATOM 177 O LYS A 12 21.435 3.220 -7.894 1.00 41.15 O ATOM 178 CB LYS A 12 18.645 4.756 -8.657 1.00 50.35 C ATOM 179 CG LYS A 12 17.722 4.905 -9.854 1.00 73.14 C ATOM 180 CD LYS A 12 18.390 4.435 -11.136 1.00 32.14 C ATOM 181 CE LYS A 12 17.915 5.237 -12.338 1.00 65.30 C ATOM 182 NZ LYS A 12 19.014 6.048 -12.932 1.00 31.01 N ATOM 0 H LYS A 12 17.089 3.021 -7.848 1.00 54.14 H new ATOM 0 HA LYS A 12 19.387 2.860 -9.347 1.00 3.45 H new ATOM 0 HB2 LYS A 12 18.139 5.134 -7.769 1.00 50.35 H new ATOM 0 HB3 LYS A 12 19.527 5.378 -8.809 1.00 50.35 H new ATOM 0 HG2 LYS A 12 16.811 4.331 -9.686 1.00 73.14 H new ATOM 0 HG3 LYS A 12 17.426 5.949 -9.959 1.00 73.14 H new ATOM 0 HD2 LYS A 12 19.472 4.528 -11.039 1.00 32.14 H new ATOM 0 HD3 LYS A 12 18.174 3.378 -11.294 1.00 32.14 H new ATOM 0 HE2 LYS A 12 17.515 4.559 -13.092 1.00 65.30 H new ATOM 0 HE3 LYS A 12 17.100 5.895 -12.037 1.00 65.30 H new ATOM 0 HZ1 LYS A 12 18.945 6.019 -13.969 1.00 31.01 H new ATOM 0 HZ2 LYS A 12 18.934 7.033 -12.607 1.00 31.01 H new ATOM 0 HZ3 LYS A 12 19.932 5.659 -12.635 1.00 31.01 H new ATOM 196 N LYS A 13 20.012 3.378 -6.159 1.00 62.24 N ATOM 197 CA LYS A 13 21.066 3.371 -5.152 1.00 2.21 C ATOM 198 C LYS A 13 21.784 2.026 -5.124 1.00 62.32 C ATOM 199 O LYS A 13 22.996 1.963 -4.914 1.00 71.43 O ATOM 200 CB LYS A 13 20.482 3.678 -3.771 1.00 42.11 C ATOM 201 CG LYS A 13 21.536 3.876 -2.695 1.00 71.22 C ATOM 202 CD LYS A 13 20.921 4.368 -1.396 1.00 12.01 C ATOM 203 CE LYS A 13 20.598 5.853 -1.460 1.00 35.14 C ATOM 204 NZ LYS A 13 20.673 6.495 -0.118 1.00 54.01 N ATOM 0 H LYS A 13 19.068 3.447 -5.780 1.00 62.24 H new ATOM 0 HA LYS A 13 21.789 4.143 -5.414 1.00 2.21 H new ATOM 0 HB2 LYS A 13 19.869 4.577 -3.837 1.00 42.11 H new ATOM 0 HB3 LYS A 13 19.822 2.863 -3.475 1.00 42.11 H new ATOM 0 HG2 LYS A 13 22.058 2.936 -2.518 1.00 71.22 H new ATOM 0 HG3 LYS A 13 22.280 4.593 -3.041 1.00 71.22 H new ATOM 0 HD2 LYS A 13 20.011 3.805 -1.187 1.00 12.01 H new ATOM 0 HD3 LYS A 13 21.609 4.179 -0.572 1.00 12.01 H new ATOM 0 HE2 LYS A 13 21.294 6.347 -2.138 1.00 35.14 H new ATOM 0 HE3 LYS A 13 19.599 5.990 -1.873 1.00 35.14 H new ATOM 0 HZ1 LYS A 13 20.446 7.506 -0.204 1.00 54.01 H new ATOM 0 HZ2 LYS A 13 19.991 6.041 0.523 1.00 54.01 H new ATOM 0 HZ3 LYS A 13 21.634 6.387 0.265 1.00 54.01 H new ATOM 218 N ILE A 14 21.030 0.953 -5.339 1.00 13.24 N ATOM 219 CA ILE A 14 21.595 -0.390 -5.341 1.00 24.13 C ATOM 220 C ILE A 14 22.611 -0.557 -6.466 1.00 31.31 C ATOM 221 O ILE A 14 23.731 -1.017 -6.242 1.00 32.45 O ATOM 222 CB ILE A 14 20.500 -1.462 -5.490 1.00 33.23 C ATOM 223 CG1 ILE A 14 19.331 -1.163 -4.548 1.00 42.34 C ATOM 224 CG2 ILE A 14 21.070 -2.845 -5.211 1.00 42.24 C ATOM 225 CD1 ILE A 14 19.763 -0.804 -3.144 1.00 44.50 C ATOM 0 H ILE A 14 20.026 0.988 -5.514 1.00 13.24 H new ATOM 0 HA ILE A 14 22.094 -0.524 -4.381 1.00 24.13 H new ATOM 0 HB ILE A 14 20.131 -1.442 -6.515 1.00 33.23 H new ATOM 0 HG12 ILE A 14 18.744 -0.342 -4.960 1.00 42.34 H new ATOM 0 HG13 ILE A 14 18.676 -2.034 -4.507 1.00 42.34 H new ATOM 0 HG21 ILE A 14 20.283 -3.592 -5.320 1.00 42.24 H new ATOM 0 HG22 ILE A 14 21.872 -3.057 -5.917 1.00 42.24 H new ATOM 0 HG23 ILE A 14 21.463 -2.878 -4.195 1.00 42.24 H new ATOM 0 HD11 ILE A 14 18.883 -0.605 -2.532 1.00 44.50 H new ATOM 0 HD12 ILE A 14 20.325 -1.633 -2.713 1.00 44.50 H new ATOM 0 HD13 ILE A 14 20.393 0.085 -3.173 1.00 44.50 H new ATOM 237 N ILE A 15 22.213 -0.179 -7.676 1.00 34.02 N ATOM 238 CA ILE A 15 23.089 -0.284 -8.836 1.00 21.34 C ATOM 239 C ILE A 15 24.305 0.624 -8.690 1.00 2.12 C ATOM 240 O ILE A 15 25.414 0.264 -9.085 1.00 71.35 O ATOM 241 CB ILE A 15 22.347 0.075 -10.137 1.00 21.15 C ATOM 242 CG1 ILE A 15 21.207 -0.914 -10.388 1.00 53.54 C ATOM 243 CG2 ILE A 15 23.314 0.088 -11.311 1.00 74.54 C ATOM 244 CD1 ILE A 15 19.842 -0.363 -10.039 1.00 33.10 C ATOM 0 H ILE A 15 21.289 0.203 -7.878 1.00 34.02 H new ATOM 0 HA ILE A 15 23.418 -1.322 -8.890 1.00 21.34 H new ATOM 0 HB ILE A 15 21.920 1.073 -10.033 1.00 21.15 H new ATOM 0 HG12 ILE A 15 21.215 -1.206 -11.438 1.00 53.54 H new ATOM 0 HG13 ILE A 15 21.385 -1.817 -9.805 1.00 53.54 H new ATOM 0 HG21 ILE A 15 22.775 0.343 -12.223 1.00 74.54 H new ATOM 0 HG22 ILE A 15 24.094 0.828 -11.131 1.00 74.54 H new ATOM 0 HG23 ILE A 15 23.767 -0.898 -11.421 1.00 74.54 H new ATOM 0 HD11 ILE A 15 19.082 -1.118 -10.242 1.00 33.10 H new ATOM 0 HD12 ILE A 15 19.816 -0.097 -8.982 1.00 33.10 H new ATOM 0 HD13 ILE A 15 19.643 0.524 -10.641 1.00 33.10 H new ATOM 256 N VAL A 16 24.090 1.804 -8.117 1.00 43.44 N ATOM 257 CA VAL A 16 25.169 2.764 -7.916 1.00 1.21 C ATOM 258 C VAL A 16 26.078 2.337 -6.769 1.00 32.12 C ATOM 259 O VAL A 16 27.241 2.733 -6.706 1.00 21.24 O ATOM 260 CB VAL A 16 24.620 4.173 -7.624 1.00 14.14 C ATOM 261 CG1 VAL A 16 25.757 5.140 -7.334 1.00 0.54 C ATOM 262 CG2 VAL A 16 23.773 4.666 -8.787 1.00 51.32 C ATOM 0 H VAL A 16 23.179 2.118 -7.784 1.00 43.44 H new ATOM 0 HA VAL A 16 25.745 2.791 -8.841 1.00 1.21 H new ATOM 0 HB VAL A 16 23.986 4.121 -6.739 1.00 14.14 H new ATOM 0 HG11 VAL A 16 25.349 6.130 -7.130 1.00 0.54 H new ATOM 0 HG12 VAL A 16 26.318 4.793 -6.466 1.00 0.54 H new ATOM 0 HG13 VAL A 16 26.420 5.191 -8.198 1.00 0.54 H new ATOM 0 HG21 VAL A 16 23.393 5.663 -8.564 1.00 51.32 H new ATOM 0 HG22 VAL A 16 24.382 4.704 -9.690 1.00 51.32 H new ATOM 0 HG23 VAL A 16 22.936 3.985 -8.942 1.00 51.32 H new ATOM 272 N GLU A 17 25.538 1.526 -5.864 1.00 62.01 N ATOM 273 CA GLU A 17 26.301 1.045 -4.718 1.00 43.14 C ATOM 274 C GLU A 17 27.026 -0.255 -5.054 1.00 72.33 C ATOM 275 O GLU A 17 28.049 -0.580 -4.452 1.00 74.52 O ATOM 276 CB GLU A 17 25.379 0.832 -3.516 1.00 41.12 C ATOM 277 CG GLU A 17 25.157 2.088 -2.690 1.00 31.55 C ATOM 278 CD GLU A 17 24.652 1.784 -1.292 1.00 43.21 C ATOM 279 OE1 GLU A 17 23.668 1.026 -1.168 1.00 22.13 O ATOM 280 OE2 GLU A 17 25.243 2.306 -0.323 1.00 34.52 O ATOM 0 H GLU A 17 24.576 1.189 -5.902 1.00 62.01 H new ATOM 0 HA GLU A 17 27.045 1.801 -4.466 1.00 43.14 H new ATOM 0 HB2 GLU A 17 24.415 0.464 -3.868 1.00 41.12 H new ATOM 0 HB3 GLU A 17 25.802 0.057 -2.877 1.00 41.12 H new ATOM 0 HG2 GLU A 17 26.092 2.644 -2.622 1.00 31.55 H new ATOM 0 HG3 GLU A 17 24.440 2.732 -3.200 1.00 31.55 H new ATOM 287 N GLN A 18 26.487 -0.994 -6.019 1.00 12.12 N ATOM 288 CA GLN A 18 27.081 -2.259 -6.434 1.00 31.22 C ATOM 289 C GLN A 18 28.067 -2.048 -7.578 1.00 20.21 C ATOM 290 O GLN A 18 29.268 -2.274 -7.426 1.00 4.24 O ATOM 291 CB GLN A 18 25.990 -3.244 -6.860 1.00 2.52 C ATOM 292 CG GLN A 18 25.159 -3.770 -5.701 1.00 2.33 C ATOM 293 CD GLN A 18 26.012 -4.281 -4.556 1.00 73.02 C ATOM 294 OE1 GLN A 18 26.370 -5.458 -4.512 1.00 24.23 O ATOM 295 NE2 GLN A 18 26.341 -3.397 -3.622 1.00 43.41 N ATOM 0 H GLN A 18 25.641 -0.738 -6.527 1.00 12.12 H new ATOM 0 HA GLN A 18 27.623 -2.673 -5.584 1.00 31.22 H new ATOM 0 HB2 GLN A 18 25.330 -2.755 -7.577 1.00 2.52 H new ATOM 0 HB3 GLN A 18 26.453 -4.085 -7.376 1.00 2.52 H new ATOM 0 HG2 GLN A 18 24.507 -2.976 -5.337 1.00 2.33 H new ATOM 0 HG3 GLN A 18 24.515 -4.574 -6.056 1.00 2.33 H new ATOM 0 HE21 GLN A 18 26.022 -2.431 -3.699 1.00 43.41 H new ATOM 0 HE22 GLN A 18 26.913 -3.684 -2.827 1.00 43.41 H new ATOM 304 N LEU A 19 27.552 -1.615 -8.723 1.00 45.14 N ATOM 305 CA LEU A 19 28.388 -1.374 -9.895 1.00 10.44 C ATOM 306 C LEU A 19 29.432 -0.300 -9.607 1.00 2.33 C ATOM 307 O LEU A 19 30.618 -0.483 -9.880 1.00 54.21 O ATOM 308 CB LEU A 19 27.523 -0.954 -11.085 1.00 22.13 C ATOM 309 CG LEU A 19 26.500 -1.983 -11.567 1.00 22.22 C ATOM 310 CD1 LEU A 19 25.815 -1.501 -12.836 1.00 1.31 C ATOM 311 CD2 LEU A 19 27.168 -3.331 -11.798 1.00 51.13 C ATOM 0 H LEU A 19 26.560 -1.423 -8.866 1.00 45.14 H new ATOM 0 HA LEU A 19 28.905 -2.302 -10.139 1.00 10.44 H new ATOM 0 HB2 LEU A 19 26.992 -0.041 -10.818 1.00 22.13 H new ATOM 0 HB3 LEU A 19 28.181 -0.708 -11.918 1.00 22.13 H new ATOM 0 HG LEU A 19 25.742 -2.103 -10.793 1.00 22.22 H new ATOM 0 HD11 LEU A 19 25.090 -2.246 -13.164 1.00 1.31 H new ATOM 0 HD12 LEU A 19 25.303 -0.560 -12.638 1.00 1.31 H new ATOM 0 HD13 LEU A 19 26.560 -1.351 -13.617 1.00 1.31 H new ATOM 0 HD21 LEU A 19 26.425 -4.051 -12.141 1.00 51.13 H new ATOM 0 HD22 LEU A 19 27.947 -3.226 -12.553 1.00 51.13 H new ATOM 0 HD23 LEU A 19 27.611 -3.682 -10.866 1.00 51.13 H new ATOM 323 N GLY A 20 28.983 0.821 -9.050 1.00 41.54 N ATOM 324 CA GLY A 20 29.892 1.907 -8.732 1.00 53.43 C ATOM 325 C GLY A 20 29.870 3.006 -9.776 1.00 41.15 C ATOM 326 O GLY A 20 30.800 3.808 -9.864 1.00 62.10 O ATOM 0 H GLY A 20 28.006 0.996 -8.813 1.00 41.54 H new ATOM 0 HA2 GLY A 20 29.627 2.327 -7.762 1.00 53.43 H new ATOM 0 HA3 GLY A 20 30.905 1.515 -8.643 1.00 53.43 H new ATOM 330 N VAL A 21 28.806 3.043 -10.572 1.00 40.14 N ATOM 331 CA VAL A 21 28.667 4.051 -11.617 1.00 1.24 C ATOM 332 C VAL A 21 27.613 5.088 -11.243 1.00 63.42 C ATOM 333 O VAL A 21 27.019 5.024 -10.167 1.00 5.14 O ATOM 334 CB VAL A 21 28.288 3.413 -12.966 1.00 61.11 C ATOM 335 CG1 VAL A 21 29.396 2.490 -13.451 1.00 1.44 C ATOM 336 CG2 VAL A 21 26.971 2.661 -12.848 1.00 52.32 C ATOM 0 H VAL A 21 28.028 2.387 -10.513 1.00 40.14 H new ATOM 0 HA VAL A 21 29.636 4.541 -11.715 1.00 1.24 H new ATOM 0 HB VAL A 21 28.162 4.208 -13.701 1.00 61.11 H new ATOM 0 HG11 VAL A 21 29.110 2.048 -14.406 1.00 1.44 H new ATOM 0 HG12 VAL A 21 30.316 3.061 -13.576 1.00 1.44 H new ATOM 0 HG13 VAL A 21 29.557 1.699 -12.719 1.00 1.44 H new ATOM 0 HG21 VAL A 21 26.718 2.216 -13.811 1.00 52.32 H new ATOM 0 HG22 VAL A 21 27.067 1.875 -12.099 1.00 52.32 H new ATOM 0 HG23 VAL A 21 26.183 3.352 -12.550 1.00 52.32 H new ATOM 346 N ASP A 22 27.386 6.041 -12.140 1.00 14.13 N ATOM 347 CA ASP A 22 26.402 7.092 -11.906 1.00 35.54 C ATOM 348 C ASP A 22 25.022 6.662 -12.394 1.00 53.25 C ATOM 349 O ASP A 22 24.895 6.017 -13.435 1.00 12.42 O ATOM 350 CB ASP A 22 26.826 8.383 -12.607 1.00 33.21 C ATOM 351 CG ASP A 22 26.384 9.622 -11.854 1.00 52.54 C ATOM 352 OD1 ASP A 22 25.171 9.752 -11.583 1.00 64.24 O ATOM 353 OD2 ASP A 22 27.250 10.463 -11.536 1.00 24.14 O ATOM 0 H ASP A 22 27.870 6.108 -13.036 1.00 14.13 H new ATOM 0 HA ASP A 22 26.348 7.273 -10.832 1.00 35.54 H new ATOM 0 HB2 ASP A 22 27.911 8.395 -12.716 1.00 33.21 H new ATOM 0 HB3 ASP A 22 26.405 8.403 -13.612 1.00 33.21 H new ATOM 358 N GLU A 23 23.992 7.024 -11.636 1.00 34.42 N ATOM 359 CA GLU A 23 22.622 6.674 -11.992 1.00 34.52 C ATOM 360 C GLU A 23 22.308 7.093 -13.425 1.00 72.11 C ATOM 361 O GLU A 23 21.521 6.445 -14.114 1.00 60.24 O ATOM 362 CB GLU A 23 21.635 7.336 -11.027 1.00 64.14 C ATOM 363 CG GLU A 23 21.775 8.847 -10.957 1.00 50.30 C ATOM 364 CD GLU A 23 21.196 9.428 -9.682 1.00 33.14 C ATOM 365 OE1 GLU A 23 21.915 9.451 -8.661 1.00 30.32 O ATOM 366 OE2 GLU A 23 20.024 9.859 -9.704 1.00 20.22 O ATOM 0 H GLU A 23 24.080 7.559 -10.772 1.00 34.42 H new ATOM 0 HA GLU A 23 22.520 5.591 -11.918 1.00 34.52 H new ATOM 0 HB2 GLU A 23 20.619 7.087 -11.332 1.00 64.14 H new ATOM 0 HB3 GLU A 23 21.779 6.919 -10.030 1.00 64.14 H new ATOM 0 HG2 GLU A 23 22.829 9.114 -11.027 1.00 50.30 H new ATOM 0 HG3 GLU A 23 21.275 9.295 -11.816 1.00 50.30 H new ATOM 373 N ALA A 24 22.929 8.182 -13.866 1.00 52.00 N ATOM 374 CA ALA A 24 22.718 8.688 -15.217 1.00 35.33 C ATOM 375 C ALA A 24 22.918 7.587 -16.253 1.00 33.24 C ATOM 376 O ALA A 24 22.298 7.603 -17.316 1.00 23.03 O ATOM 377 CB ALA A 24 23.654 9.854 -15.496 1.00 14.32 C ATOM 0 H ALA A 24 23.582 8.731 -13.307 1.00 52.00 H new ATOM 0 HA ALA A 24 21.688 9.037 -15.291 1.00 35.33 H new ATOM 0 HB1 ALA A 24 23.485 10.222 -16.508 1.00 14.32 H new ATOM 0 HB2 ALA A 24 23.461 10.655 -14.782 1.00 14.32 H new ATOM 0 HB3 ALA A 24 24.688 9.522 -15.398 1.00 14.32 H new ATOM 383 N GLU A 25 23.787 6.633 -15.935 1.00 62.41 N ATOM 384 CA GLU A 25 24.069 5.525 -16.840 1.00 62.15 C ATOM 385 C GLU A 25 22.859 4.604 -16.967 1.00 52.34 C ATOM 386 O GLU A 25 22.530 4.140 -18.059 1.00 34.00 O ATOM 387 CB GLU A 25 25.279 4.729 -16.347 1.00 44.20 C ATOM 388 CG GLU A 25 26.595 5.479 -16.476 1.00 14.21 C ATOM 389 CD GLU A 25 26.924 5.836 -17.912 1.00 41.53 C ATOM 390 OE1 GLU A 25 26.516 6.928 -18.361 1.00 61.24 O ATOM 391 OE2 GLU A 25 27.591 5.024 -18.587 1.00 74.01 O ATOM 0 H GLU A 25 24.308 6.605 -15.058 1.00 62.41 H new ATOM 0 HA GLU A 25 24.292 5.941 -17.822 1.00 62.15 H new ATOM 0 HB2 GLU A 25 25.125 4.460 -15.302 1.00 44.20 H new ATOM 0 HB3 GLU A 25 25.345 3.798 -16.910 1.00 44.20 H new ATOM 0 HG2 GLU A 25 26.549 6.391 -15.880 1.00 14.21 H new ATOM 0 HG3 GLU A 25 27.399 4.869 -16.064 1.00 14.21 H new ATOM 398 N VAL A 26 22.200 4.344 -15.843 1.00 0.15 N ATOM 399 CA VAL A 26 21.026 3.480 -15.827 1.00 31.24 C ATOM 400 C VAL A 26 19.875 4.102 -16.609 1.00 60.24 C ATOM 401 O VAL A 26 19.176 4.984 -16.111 1.00 50.54 O ATOM 402 CB VAL A 26 20.558 3.195 -14.387 1.00 63.30 C ATOM 403 CG1 VAL A 26 19.361 2.256 -14.390 1.00 42.32 C ATOM 404 CG2 VAL A 26 21.698 2.616 -13.562 1.00 32.20 C ATOM 0 H VAL A 26 22.459 4.720 -14.931 1.00 0.15 H new ATOM 0 HA VAL A 26 21.318 2.542 -16.299 1.00 31.24 H new ATOM 0 HB VAL A 26 20.250 4.136 -13.930 1.00 63.30 H new ATOM 0 HG11 VAL A 26 19.045 2.066 -13.364 1.00 42.32 H new ATOM 0 HG12 VAL A 26 18.541 2.713 -14.944 1.00 42.32 H new ATOM 0 HG13 VAL A 26 19.638 1.314 -14.864 1.00 42.32 H new ATOM 0 HG21 VAL A 26 21.350 2.421 -12.548 1.00 32.20 H new ATOM 0 HG22 VAL A 26 22.038 1.685 -14.015 1.00 32.20 H new ATOM 0 HG23 VAL A 26 22.523 3.327 -13.532 1.00 32.20 H new ATOM 414 N LYS A 27 19.683 3.635 -17.839 1.00 14.45 N ATOM 415 CA LYS A 27 18.615 4.144 -18.692 1.00 20.42 C ATOM 416 C LYS A 27 17.354 3.297 -18.549 1.00 25.32 C ATOM 417 O LYS A 27 16.338 3.568 -19.186 1.00 71.23 O ATOM 418 CB LYS A 27 19.067 4.161 -20.154 1.00 3.13 C ATOM 419 CG LYS A 27 20.157 5.179 -20.441 1.00 51.52 C ATOM 420 CD LYS A 27 20.083 5.687 -21.872 1.00 34.15 C ATOM 421 CE LYS A 27 21.368 6.388 -22.282 1.00 4.45 C ATOM 422 NZ LYS A 27 22.542 5.474 -22.222 1.00 43.04 N ATOM 0 H LYS A 27 20.253 2.905 -18.267 1.00 14.45 H new ATOM 0 HA LYS A 27 18.386 5.162 -18.377 1.00 20.42 H new ATOM 0 HB2 LYS A 27 19.427 3.169 -20.426 1.00 3.13 H new ATOM 0 HB3 LYS A 27 18.207 4.373 -20.789 1.00 3.13 H new ATOM 0 HG2 LYS A 27 20.064 6.018 -19.751 1.00 51.52 H new ATOM 0 HG3 LYS A 27 21.133 4.728 -20.264 1.00 51.52 H new ATOM 0 HD2 LYS A 27 19.892 4.852 -22.546 1.00 34.15 H new ATOM 0 HD3 LYS A 27 19.244 6.376 -21.972 1.00 34.15 H new ATOM 0 HE2 LYS A 27 21.262 6.777 -23.295 1.00 4.45 H new ATOM 0 HE3 LYS A 27 21.540 7.243 -21.628 1.00 4.45 H new ATOM 0 HZ1 LYS A 27 23.081 5.542 -23.109 1.00 43.04 H new ATOM 0 HZ2 LYS A 27 23.152 5.745 -21.424 1.00 43.04 H new ATOM 0 HZ3 LYS A 27 22.214 4.496 -22.091 1.00 43.04 H new ATOM 436 N ASN A 28 17.428 2.271 -17.707 1.00 4.14 N ATOM 437 CA ASN A 28 16.292 1.385 -17.479 1.00 44.34 C ATOM 438 C ASN A 28 15.852 0.721 -18.780 1.00 71.13 C ATOM 439 O ASN A 28 14.728 0.232 -18.889 1.00 11.11 O ATOM 440 CB ASN A 28 15.125 2.165 -16.871 1.00 72.11 C ATOM 441 CG ASN A 28 15.350 2.494 -15.408 1.00 15.31 C ATOM 442 OD1 ASN A 28 15.710 3.619 -15.062 1.00 13.53 O ATOM 443 ND2 ASN A 28 15.138 1.511 -14.541 1.00 35.01 N ATOM 0 H ASN A 28 18.263 2.033 -17.171 1.00 4.14 H new ATOM 0 HA ASN A 28 16.603 0.607 -16.781 1.00 44.34 H new ATOM 0 HB2 ASN A 28 14.979 3.089 -17.430 1.00 72.11 H new ATOM 0 HB3 ASN A 28 14.210 1.582 -16.973 1.00 72.11 H new ATOM 0 HD21 ASN A 28 15.273 1.673 -13.543 1.00 35.01 H new ATOM 0 HD22 ASN A 28 14.840 0.594 -14.873 1.00 35.01 H new ATOM 450 N GLU A 29 16.746 0.707 -19.764 1.00 2.12 N ATOM 451 CA GLU A 29 16.449 0.103 -21.057 1.00 61.22 C ATOM 452 C GLU A 29 17.557 -0.860 -21.475 1.00 72.02 C ATOM 453 O GLU A 29 17.565 -1.363 -22.598 1.00 62.03 O ATOM 454 CB GLU A 29 16.271 1.186 -22.123 1.00 2.54 C ATOM 455 CG GLU A 29 15.097 2.113 -21.858 1.00 14.31 C ATOM 456 CD GLU A 29 14.295 2.411 -23.110 1.00 74.20 C ATOM 457 OE1 GLU A 29 14.843 3.062 -24.024 1.00 72.00 O ATOM 458 OE2 GLU A 29 13.120 1.993 -23.176 1.00 13.30 O ATOM 0 H GLU A 29 17.681 1.107 -19.690 1.00 2.12 H new ATOM 0 HA GLU A 29 15.520 -0.458 -20.962 1.00 61.22 H new ATOM 0 HB2 GLU A 29 17.184 1.778 -22.184 1.00 2.54 H new ATOM 0 HB3 GLU A 29 16.135 0.710 -23.094 1.00 2.54 H new ATOM 0 HG2 GLU A 29 14.444 1.661 -21.111 1.00 14.31 H new ATOM 0 HG3 GLU A 29 15.465 3.048 -21.436 1.00 14.31 H new ATOM 465 N ALA A 30 18.490 -1.111 -20.563 1.00 41.20 N ATOM 466 CA ALA A 30 19.602 -2.014 -20.836 1.00 14.55 C ATOM 467 C ALA A 30 19.716 -3.085 -19.756 1.00 51.14 C ATOM 468 O ALA A 30 18.898 -3.144 -18.838 1.00 62.43 O ATOM 469 CB ALA A 30 20.902 -1.231 -20.945 1.00 61.43 C ATOM 0 H ALA A 30 18.498 -0.702 -19.629 1.00 41.20 H new ATOM 0 HA ALA A 30 19.410 -2.512 -21.786 1.00 14.55 H new ATOM 0 HB1 ALA A 30 21.724 -1.917 -21.149 1.00 61.43 H new ATOM 0 HB2 ALA A 30 20.824 -0.507 -21.756 1.00 61.43 H new ATOM 0 HB3 ALA A 30 21.091 -0.707 -20.008 1.00 61.43 H new ATOM 475 N SER A 31 20.735 -3.930 -19.874 1.00 31.31 N ATOM 476 CA SER A 31 20.953 -5.003 -18.910 1.00 42.14 C ATOM 477 C SER A 31 22.229 -4.762 -18.109 1.00 11.10 C ATOM 478 O SER A 31 22.901 -3.745 -18.281 1.00 63.14 O ATOM 479 CB SER A 31 21.035 -6.352 -19.627 1.00 71.02 C ATOM 480 OG SER A 31 20.069 -6.440 -20.660 1.00 35.32 O ATOM 0 H SER A 31 21.422 -3.893 -20.627 1.00 31.31 H new ATOM 0 HA SER A 31 20.109 -5.016 -18.221 1.00 42.14 H new ATOM 0 HB2 SER A 31 22.033 -6.485 -20.045 1.00 71.02 H new ATOM 0 HB3 SER A 31 20.880 -7.158 -18.910 1.00 71.02 H new ATOM 0 HG SER A 31 19.285 -5.902 -20.422 1.00 35.32 H new ATOM 486 N PHE A 32 22.556 -5.705 -17.232 1.00 12.14 N ATOM 487 CA PHE A 32 23.750 -5.596 -16.402 1.00 20.03 C ATOM 488 C PHE A 32 24.981 -6.094 -17.153 1.00 5.32 C ATOM 489 O PHE A 32 26.085 -5.580 -16.968 1.00 21.43 O ATOM 490 CB PHE A 32 23.572 -6.392 -15.107 1.00 73.44 C ATOM 491 CG PHE A 32 22.295 -6.079 -14.382 1.00 12.44 C ATOM 492 CD1 PHE A 32 21.805 -4.783 -14.342 1.00 25.04 C ATOM 493 CD2 PHE A 32 21.584 -7.079 -13.739 1.00 30.42 C ATOM 494 CE1 PHE A 32 20.630 -4.491 -13.675 1.00 4.12 C ATOM 495 CE2 PHE A 32 20.408 -6.793 -13.071 1.00 23.41 C ATOM 496 CZ PHE A 32 19.932 -5.497 -13.038 1.00 34.42 C ATOM 0 H PHE A 32 22.011 -6.553 -17.078 1.00 12.14 H new ATOM 0 HA PHE A 32 23.896 -4.544 -16.156 1.00 20.03 H new ATOM 0 HB2 PHE A 32 23.598 -7.457 -15.338 1.00 73.44 H new ATOM 0 HB3 PHE A 32 24.415 -6.189 -14.446 1.00 73.44 H new ATOM 0 HD1 PHE A 32 22.348 -3.992 -14.838 1.00 25.04 H new ATOM 0 HD2 PHE A 32 21.953 -8.094 -13.760 1.00 30.42 H new ATOM 0 HE1 PHE A 32 20.259 -3.477 -13.652 1.00 4.12 H new ATOM 0 HE2 PHE A 32 19.862 -7.582 -12.575 1.00 23.41 H new ATOM 0 HZ PHE A 32 19.015 -5.271 -12.514 1.00 34.42 H new ATOM 506 N VAL A 33 24.784 -7.098 -18.001 1.00 41.33 N ATOM 507 CA VAL A 33 25.877 -7.665 -18.781 1.00 62.54 C ATOM 508 C VAL A 33 25.594 -7.569 -20.276 1.00 53.22 C ATOM 509 O VAL A 33 26.507 -7.389 -21.081 1.00 44.25 O ATOM 510 CB VAL A 33 26.124 -9.140 -18.411 1.00 62.02 C ATOM 511 CG1 VAL A 33 24.988 -10.015 -18.918 1.00 21.41 C ATOM 512 CG2 VAL A 33 27.460 -9.612 -18.966 1.00 12.31 C ATOM 0 H VAL A 33 23.877 -7.536 -18.165 1.00 41.33 H new ATOM 0 HA VAL A 33 26.768 -7.084 -18.545 1.00 62.54 H new ATOM 0 HB VAL A 33 26.158 -9.223 -17.325 1.00 62.02 H new ATOM 0 HG11 VAL A 33 25.180 -11.053 -18.647 1.00 21.41 H new ATOM 0 HG12 VAL A 33 24.050 -9.690 -18.468 1.00 21.41 H new ATOM 0 HG13 VAL A 33 24.919 -9.930 -20.002 1.00 21.41 H new ATOM 0 HG21 VAL A 33 27.618 -10.656 -18.695 1.00 12.31 H new ATOM 0 HG22 VAL A 33 27.458 -9.515 -20.052 1.00 12.31 H new ATOM 0 HG23 VAL A 33 28.263 -9.003 -18.549 1.00 12.31 H new ATOM 522 N ASP A 34 24.322 -7.689 -20.640 1.00 72.14 N ATOM 523 CA ASP A 34 23.917 -7.614 -22.039 1.00 54.32 C ATOM 524 C ASP A 34 24.224 -6.237 -22.621 1.00 31.15 C ATOM 525 O ASP A 34 24.359 -6.081 -23.834 1.00 64.12 O ATOM 526 CB ASP A 34 22.424 -7.918 -22.177 1.00 51.50 C ATOM 527 CG ASP A 34 22.079 -8.526 -23.522 1.00 32.52 C ATOM 528 OD1 ASP A 34 22.994 -8.673 -24.359 1.00 11.04 O ATOM 529 OD2 ASP A 34 20.893 -8.856 -23.738 1.00 5.22 O ATOM 0 H ASP A 34 23.554 -7.839 -19.986 1.00 72.14 H new ATOM 0 HA ASP A 34 24.485 -8.359 -22.596 1.00 54.32 H new ATOM 0 HB2 ASP A 34 22.121 -8.601 -21.384 1.00 51.50 H new ATOM 0 HB3 ASP A 34 21.855 -6.999 -22.040 1.00 51.50 H new ATOM 534 N ASP A 35 24.331 -5.242 -21.747 1.00 24.32 N ATOM 535 CA ASP A 35 24.623 -3.878 -22.173 1.00 74.41 C ATOM 536 C ASP A 35 25.918 -3.377 -21.543 1.00 1.02 C ATOM 537 O ASP A 35 26.947 -3.273 -22.212 1.00 21.21 O ATOM 538 CB ASP A 35 23.467 -2.948 -21.802 1.00 51.33 C ATOM 539 CG ASP A 35 23.759 -1.499 -22.140 1.00 1.12 C ATOM 540 OD1 ASP A 35 24.380 -0.808 -21.305 1.00 22.43 O ATOM 541 OD2 ASP A 35 23.368 -1.056 -23.240 1.00 15.25 O ATOM 0 H ASP A 35 24.220 -5.354 -20.739 1.00 24.32 H new ATOM 0 HA ASP A 35 24.745 -3.880 -23.256 1.00 74.41 H new ATOM 0 HB2 ASP A 35 22.566 -3.266 -22.326 1.00 51.33 H new ATOM 0 HB3 ASP A 35 23.262 -3.035 -20.735 1.00 51.33 H new ATOM 546 N LEU A 36 25.861 -3.066 -20.253 1.00 34.35 N ATOM 547 CA LEU A 36 27.029 -2.574 -19.531 1.00 63.32 C ATOM 548 C LEU A 36 28.225 -3.498 -19.738 1.00 24.02 C ATOM 549 O LEU A 36 29.369 -3.048 -19.787 1.00 42.34 O ATOM 550 CB LEU A 36 26.717 -2.451 -18.039 1.00 23.23 C ATOM 551 CG LEU A 36 25.444 -1.684 -17.680 1.00 44.41 C ATOM 552 CD1 LEU A 36 25.203 -1.722 -16.179 1.00 52.02 C ATOM 553 CD2 LEU A 36 25.532 -0.246 -18.171 1.00 62.15 C ATOM 0 H LEU A 36 25.018 -3.146 -19.685 1.00 34.35 H new ATOM 0 HA LEU A 36 27.281 -1.589 -19.925 1.00 63.32 H new ATOM 0 HB2 LEU A 36 26.643 -3.454 -17.620 1.00 23.23 H new ATOM 0 HB3 LEU A 36 27.561 -1.963 -17.551 1.00 23.23 H new ATOM 0 HG LEU A 36 24.601 -2.166 -18.175 1.00 44.41 H new ATOM 0 HD11 LEU A 36 24.293 -1.171 -15.943 1.00 52.02 H new ATOM 0 HD12 LEU A 36 25.096 -2.757 -15.854 1.00 52.02 H new ATOM 0 HD13 LEU A 36 26.048 -1.266 -15.663 1.00 52.02 H new ATOM 0 HD21 LEU A 36 24.618 0.285 -17.907 1.00 62.15 H new ATOM 0 HD22 LEU A 36 26.385 0.246 -17.704 1.00 62.15 H new ATOM 0 HD23 LEU A 36 25.656 -0.238 -19.254 1.00 62.15 H new ATOM 565 N GLY A 37 27.952 -4.794 -19.860 1.00 2.41 N ATOM 566 CA GLY A 37 29.016 -5.760 -20.062 1.00 73.11 C ATOM 567 C GLY A 37 29.636 -6.221 -18.758 1.00 42.31 C ATOM 568 O GLY A 37 30.764 -6.713 -18.739 1.00 73.44 O ATOM 0 H GLY A 37 27.013 -5.192 -19.823 1.00 2.41 H new ATOM 0 HA2 GLY A 37 28.622 -6.623 -20.598 1.00 73.11 H new ATOM 0 HA3 GLY A 37 29.788 -5.319 -20.692 1.00 73.11 H new ATOM 572 N ALA A 38 28.899 -6.059 -17.664 1.00 41.21 N ATOM 573 CA ALA A 38 29.384 -6.462 -16.350 1.00 13.01 C ATOM 574 C ALA A 38 29.647 -7.963 -16.299 1.00 22.03 C ATOM 575 O ALA A 38 29.639 -8.640 -17.327 1.00 51.21 O ATOM 576 CB ALA A 38 28.385 -6.062 -15.274 1.00 30.52 C ATOM 0 H ALA A 38 27.964 -5.652 -17.662 1.00 41.21 H new ATOM 0 HA ALA A 38 30.327 -5.948 -16.164 1.00 13.01 H new ATOM 0 HB1 ALA A 38 28.760 -6.369 -14.298 1.00 30.52 H new ATOM 0 HB2 ALA A 38 28.250 -4.981 -15.287 1.00 30.52 H new ATOM 0 HB3 ALA A 38 27.429 -6.550 -15.466 1.00 30.52 H new ATOM 582 N ASP A 39 29.881 -8.477 -15.096 1.00 64.14 N ATOM 583 CA ASP A 39 30.147 -9.899 -14.911 1.00 43.13 C ATOM 584 C ASP A 39 29.021 -10.565 -14.128 1.00 14.15 C ATOM 585 O ASP A 39 28.044 -9.916 -13.753 1.00 72.20 O ATOM 586 CB ASP A 39 31.478 -10.100 -14.186 1.00 25.44 C ATOM 587 CG ASP A 39 31.341 -9.981 -12.680 1.00 62.45 C ATOM 588 OD1 ASP A 39 30.522 -9.158 -12.223 1.00 51.42 O ATOM 589 OD2 ASP A 39 32.054 -10.711 -11.960 1.00 32.42 O ATOM 0 H ASP A 39 29.892 -7.930 -14.235 1.00 64.14 H new ATOM 0 HA ASP A 39 30.205 -10.364 -15.895 1.00 43.13 H new ATOM 0 HB2 ASP A 39 31.879 -11.082 -14.435 1.00 25.44 H new ATOM 0 HB3 ASP A 39 32.197 -9.362 -14.542 1.00 25.44 H new ATOM 594 N SER A 40 29.163 -11.864 -13.884 1.00 43.20 N ATOM 595 CA SER A 40 28.155 -12.619 -13.149 1.00 64.02 C ATOM 596 C SER A 40 28.023 -12.101 -11.720 1.00 50.13 C ATOM 597 O SER A 40 26.922 -12.034 -11.171 1.00 44.32 O ATOM 598 CB SER A 40 28.513 -14.106 -13.133 1.00 61.43 C ATOM 599 OG SER A 40 28.332 -14.688 -14.413 1.00 22.12 O ATOM 0 H SER A 40 29.967 -12.416 -14.185 1.00 43.20 H new ATOM 0 HA SER A 40 27.198 -12.488 -13.654 1.00 64.02 H new ATOM 0 HB2 SER A 40 29.549 -14.231 -12.817 1.00 61.43 H new ATOM 0 HB3 SER A 40 27.892 -14.625 -12.403 1.00 61.43 H new ATOM 0 HG SER A 40 28.569 -15.638 -14.377 1.00 22.12 H new ATOM 605 N LEU A 41 29.152 -11.736 -11.123 1.00 41.23 N ATOM 606 CA LEU A 41 29.164 -11.223 -9.758 1.00 24.14 C ATOM 607 C LEU A 41 28.278 -9.988 -9.632 1.00 31.35 C ATOM 608 O LEU A 41 27.638 -9.774 -8.602 1.00 0.22 O ATOM 609 CB LEU A 41 30.594 -10.884 -9.332 1.00 21.20 C ATOM 610 CG LEU A 41 30.844 -10.799 -7.826 1.00 34.02 C ATOM 611 CD1 LEU A 41 31.034 -12.188 -7.237 1.00 22.21 C ATOM 612 CD2 LEU A 41 32.054 -9.924 -7.534 1.00 53.53 C ATOM 0 H LEU A 41 30.071 -11.786 -11.563 1.00 41.23 H new ATOM 0 HA LEU A 41 28.770 -11.999 -9.102 1.00 24.14 H new ATOM 0 HB2 LEU A 41 31.264 -11.636 -9.749 1.00 21.20 H new ATOM 0 HB3 LEU A 41 30.868 -9.929 -9.780 1.00 21.20 H new ATOM 0 HG LEU A 41 29.971 -10.344 -7.358 1.00 34.02 H new ATOM 0 HD11 LEU A 41 31.211 -12.107 -6.164 1.00 22.21 H new ATOM 0 HD12 LEU A 41 30.138 -12.784 -7.413 1.00 22.21 H new ATOM 0 HD13 LEU A 41 31.889 -12.670 -7.710 1.00 22.21 H new ATOM 0 HD21 LEU A 41 32.216 -9.875 -6.457 1.00 53.53 H new ATOM 0 HD22 LEU A 41 32.935 -10.349 -8.015 1.00 53.53 H new ATOM 0 HD23 LEU A 41 31.879 -8.920 -7.920 1.00 53.53 H new ATOM 624 N ASP A 42 28.244 -9.181 -10.686 1.00 14.01 N ATOM 625 CA ASP A 42 27.433 -7.969 -10.695 1.00 13.12 C ATOM 626 C ASP A 42 25.946 -8.309 -10.662 1.00 21.55 C ATOM 627 O ASP A 42 25.226 -7.908 -9.747 1.00 52.50 O ATOM 628 CB ASP A 42 27.748 -7.128 -11.933 1.00 4.35 C ATOM 629 CG ASP A 42 29.021 -6.320 -11.774 1.00 43.32 C ATOM 630 OD1 ASP A 42 29.030 -5.382 -10.950 1.00 33.13 O ATOM 631 OD2 ASP A 42 30.009 -6.624 -12.475 1.00 60.54 O ATOM 0 H ASP A 42 28.769 -9.344 -11.546 1.00 14.01 H new ATOM 0 HA ASP A 42 27.676 -7.393 -9.802 1.00 13.12 H new ATOM 0 HB2 ASP A 42 27.842 -7.783 -12.799 1.00 4.35 H new ATOM 0 HB3 ASP A 42 26.915 -6.454 -12.132 1.00 4.35 H new ATOM 636 N THR A 43 25.492 -9.053 -11.666 1.00 14.41 N ATOM 637 CA THR A 43 24.091 -9.445 -11.753 1.00 71.42 C ATOM 638 C THR A 43 23.617 -10.084 -10.453 1.00 30.22 C ATOM 639 O THR A 43 22.610 -9.671 -9.877 1.00 62.22 O ATOM 640 CB THR A 43 23.855 -10.432 -12.912 1.00 63.04 C ATOM 641 OG1 THR A 43 24.739 -11.552 -12.790 1.00 3.21 O ATOM 642 CG2 THR A 43 24.074 -9.751 -14.255 1.00 72.42 C ATOM 0 H THR A 43 26.074 -9.396 -12.430 1.00 14.41 H new ATOM 0 HA THR A 43 23.519 -8.535 -11.937 1.00 71.42 H new ATOM 0 HB THR A 43 22.823 -10.778 -12.861 1.00 63.04 H new ATOM 0 HG1 THR A 43 24.581 -12.175 -13.530 1.00 3.21 H new ATOM 0 HG21 THR A 43 23.902 -10.467 -15.058 1.00 72.42 H new ATOM 0 HG22 THR A 43 23.380 -8.917 -14.357 1.00 72.42 H new ATOM 0 HG23 THR A 43 25.097 -9.380 -14.312 1.00 72.42 H new ATOM 650 N VAL A 44 24.349 -11.094 -9.994 1.00 23.22 N ATOM 651 CA VAL A 44 24.004 -11.789 -8.759 1.00 65.44 C ATOM 652 C VAL A 44 23.964 -10.826 -7.579 1.00 2.42 C ATOM 653 O VAL A 44 23.103 -10.933 -6.707 1.00 32.33 O ATOM 654 CB VAL A 44 25.006 -12.918 -8.452 1.00 62.44 C ATOM 655 CG1 VAL A 44 24.624 -13.637 -7.167 1.00 41.32 C ATOM 656 CG2 VAL A 44 25.081 -13.895 -9.617 1.00 1.34 C ATOM 0 H VAL A 44 25.185 -11.449 -10.459 1.00 23.22 H new ATOM 0 HA VAL A 44 23.014 -12.221 -8.905 1.00 65.44 H new ATOM 0 HB VAL A 44 25.993 -12.476 -8.313 1.00 62.44 H new ATOM 0 HG11 VAL A 44 25.343 -14.431 -6.967 1.00 41.32 H new ATOM 0 HG12 VAL A 44 24.626 -12.928 -6.339 1.00 41.32 H new ATOM 0 HG13 VAL A 44 23.628 -14.068 -7.273 1.00 41.32 H new ATOM 0 HG21 VAL A 44 25.793 -14.686 -9.383 1.00 1.34 H new ATOM 0 HG22 VAL A 44 24.097 -14.332 -9.789 1.00 1.34 H new ATOM 0 HG23 VAL A 44 25.406 -13.368 -10.514 1.00 1.34 H new ATOM 666 N GLU A 45 24.902 -9.884 -7.559 1.00 10.44 N ATOM 667 CA GLU A 45 24.973 -8.900 -6.484 1.00 22.50 C ATOM 668 C GLU A 45 23.671 -8.112 -6.381 1.00 33.14 C ATOM 669 O GLU A 45 23.132 -7.922 -5.289 1.00 52.25 O ATOM 670 CB GLU A 45 26.144 -7.943 -6.715 1.00 65.41 C ATOM 671 CG GLU A 45 27.401 -8.324 -5.951 1.00 24.10 C ATOM 672 CD GLU A 45 27.263 -8.110 -4.456 1.00 73.12 C ATOM 673 OE1 GLU A 45 26.115 -7.997 -3.978 1.00 14.32 O ATOM 674 OE2 GLU A 45 28.301 -8.056 -3.765 1.00 43.21 O ATOM 0 H GLU A 45 25.622 -9.781 -8.274 1.00 10.44 H new ATOM 0 HA GLU A 45 25.129 -9.434 -5.547 1.00 22.50 H new ATOM 0 HB2 GLU A 45 26.372 -7.912 -7.780 1.00 65.41 H new ATOM 0 HB3 GLU A 45 25.843 -6.937 -6.424 1.00 65.41 H new ATOM 0 HG2 GLU A 45 27.636 -9.371 -6.144 1.00 24.10 H new ATOM 0 HG3 GLU A 45 28.240 -7.735 -6.323 1.00 24.10 H new ATOM 681 N LEU A 46 23.170 -7.655 -7.523 1.00 65.33 N ATOM 682 CA LEU A 46 21.931 -6.887 -7.563 1.00 2.40 C ATOM 683 C LEU A 46 20.756 -7.723 -7.068 1.00 75.14 C ATOM 684 O LEU A 46 19.980 -7.283 -6.220 1.00 2.24 O ATOM 685 CB LEU A 46 21.659 -6.394 -8.985 1.00 72.13 C ATOM 686 CG LEU A 46 22.787 -5.604 -9.650 1.00 21.42 C ATOM 687 CD1 LEU A 46 22.313 -4.998 -10.961 1.00 45.25 C ATOM 688 CD2 LEU A 46 23.302 -4.521 -8.714 1.00 43.51 C ATOM 0 H LEU A 46 23.603 -7.803 -8.434 1.00 65.33 H new ATOM 0 HA LEU A 46 22.044 -6.027 -6.903 1.00 2.40 H new ATOM 0 HB2 LEU A 46 21.430 -7.257 -9.610 1.00 72.13 H new ATOM 0 HB3 LEU A 46 20.767 -5.768 -8.967 1.00 72.13 H new ATOM 0 HG LEU A 46 23.607 -6.289 -9.866 1.00 21.42 H new ATOM 0 HD11 LEU A 46 23.129 -4.440 -11.420 1.00 45.25 H new ATOM 0 HD12 LEU A 46 21.993 -5.793 -11.635 1.00 45.25 H new ATOM 0 HD13 LEU A 46 21.476 -4.326 -10.770 1.00 45.25 H new ATOM 0 HD21 LEU A 46 24.104 -3.969 -9.203 1.00 43.51 H new ATOM 0 HD22 LEU A 46 22.490 -3.838 -8.466 1.00 43.51 H new ATOM 0 HD23 LEU A 46 23.682 -4.980 -7.801 1.00 43.51 H new ATOM 700 N VAL A 47 20.630 -8.933 -7.604 1.00 24.54 N ATOM 701 CA VAL A 47 19.551 -9.834 -7.214 1.00 44.44 C ATOM 702 C VAL A 47 19.479 -9.982 -5.699 1.00 22.02 C ATOM 703 O VAL A 47 18.415 -9.831 -5.100 1.00 74.34 O ATOM 704 CB VAL A 47 19.727 -11.227 -7.848 1.00 14.41 C ATOM 705 CG1 VAL A 47 18.612 -12.161 -7.401 1.00 5.42 C ATOM 706 CG2 VAL A 47 19.768 -11.120 -9.365 1.00 33.22 C ATOM 0 H VAL A 47 21.262 -9.312 -8.309 1.00 24.54 H new ATOM 0 HA VAL A 47 18.623 -9.392 -7.577 1.00 44.44 H new ATOM 0 HB VAL A 47 20.676 -11.644 -7.510 1.00 14.41 H new ATOM 0 HG11 VAL A 47 18.752 -13.140 -7.859 1.00 5.42 H new ATOM 0 HG12 VAL A 47 18.634 -12.261 -6.316 1.00 5.42 H new ATOM 0 HG13 VAL A 47 17.650 -11.752 -7.708 1.00 5.42 H new ATOM 0 HG21 VAL A 47 19.893 -12.113 -9.797 1.00 33.22 H new ATOM 0 HG22 VAL A 47 18.836 -10.683 -9.724 1.00 33.22 H new ATOM 0 HG23 VAL A 47 20.604 -10.487 -9.663 1.00 33.22 H new ATOM 716 N MET A 48 20.620 -10.278 -5.084 1.00 34.11 N ATOM 717 CA MET A 48 20.686 -10.445 -3.637 1.00 31.23 C ATOM 718 C MET A 48 20.282 -9.160 -2.922 1.00 11.31 C ATOM 719 O MET A 48 19.573 -9.194 -1.916 1.00 62.14 O ATOM 720 CB MET A 48 22.098 -10.856 -3.213 1.00 55.14 C ATOM 721 CG MET A 48 22.674 -11.993 -4.041 1.00 74.14 C ATOM 722 SD MET A 48 23.146 -13.414 -3.037 1.00 15.03 S ATOM 723 CE MET A 48 22.747 -14.761 -4.148 1.00 22.45 C ATOM 0 H MET A 48 21.510 -10.407 -5.565 1.00 34.11 H new ATOM 0 HA MET A 48 19.986 -11.232 -3.355 1.00 31.23 H new ATOM 0 HB2 MET A 48 22.758 -9.992 -3.289 1.00 55.14 H new ATOM 0 HB3 MET A 48 22.082 -11.153 -2.164 1.00 55.14 H new ATOM 0 HG2 MET A 48 21.939 -12.305 -4.783 1.00 74.14 H new ATOM 0 HG3 MET A 48 23.546 -11.634 -4.588 1.00 74.14 H new ATOM 0 HE1 MET A 48 22.605 -15.676 -3.574 1.00 22.45 H new ATOM 0 HE2 MET A 48 21.831 -14.527 -4.690 1.00 22.45 H new ATOM 0 HE3 MET A 48 23.562 -14.901 -4.858 1.00 22.45 H new ATOM 733 N ALA A 49 20.738 -8.027 -3.447 1.00 74.35 N ATOM 734 CA ALA A 49 20.422 -6.731 -2.860 1.00 71.12 C ATOM 735 C ALA A 49 18.916 -6.493 -2.833 1.00 51.24 C ATOM 736 O ALA A 49 18.395 -5.847 -1.923 1.00 3.21 O ATOM 737 CB ALA A 49 21.121 -5.619 -3.629 1.00 34.33 C ATOM 0 H ALA A 49 21.328 -7.981 -4.278 1.00 74.35 H new ATOM 0 HA ALA A 49 20.782 -6.728 -1.831 1.00 71.12 H new ATOM 0 HB1 ALA A 49 20.876 -4.656 -3.180 1.00 34.33 H new ATOM 0 HB2 ALA A 49 22.199 -5.773 -3.592 1.00 34.33 H new ATOM 0 HB3 ALA A 49 20.789 -5.630 -4.667 1.00 34.33 H new ATOM 743 N LEU A 50 18.221 -7.017 -3.837 1.00 12.03 N ATOM 744 CA LEU A 50 16.773 -6.861 -3.929 1.00 3.44 C ATOM 745 C LEU A 50 16.065 -7.726 -2.892 1.00 22.44 C ATOM 746 O LEU A 50 15.290 -7.226 -2.077 1.00 24.31 O ATOM 747 CB LEU A 50 16.289 -7.227 -5.332 1.00 60.44 C ATOM 748 CG LEU A 50 16.655 -6.246 -6.446 1.00 51.05 C ATOM 749 CD1 LEU A 50 16.188 -6.771 -7.795 1.00 55.11 C ATOM 750 CD2 LEU A 50 16.055 -4.876 -6.168 1.00 54.43 C ATOM 0 H LEU A 50 18.636 -7.553 -4.599 1.00 12.03 H new ATOM 0 HA LEU A 50 16.532 -5.817 -3.729 1.00 3.44 H new ATOM 0 HB2 LEU A 50 16.693 -8.206 -5.590 1.00 60.44 H new ATOM 0 HB3 LEU A 50 15.204 -7.327 -5.306 1.00 60.44 H new ATOM 0 HG LEU A 50 17.740 -6.147 -6.474 1.00 51.05 H new ATOM 0 HD11 LEU A 50 16.457 -6.059 -8.575 1.00 55.11 H new ATOM 0 HD12 LEU A 50 16.666 -7.730 -7.998 1.00 55.11 H new ATOM 0 HD13 LEU A 50 15.106 -6.901 -7.780 1.00 55.11 H new ATOM 0 HD21 LEU A 50 16.326 -4.190 -6.971 1.00 54.43 H new ATOM 0 HD22 LEU A 50 14.970 -4.959 -6.112 1.00 54.43 H new ATOM 0 HD23 LEU A 50 16.439 -4.496 -5.221 1.00 54.43 H new ATOM 762 N GLU A 51 16.339 -9.027 -2.928 1.00 13.14 N ATOM 763 CA GLU A 51 15.728 -9.961 -1.989 1.00 62.54 C ATOM 764 C GLU A 51 16.188 -9.678 -0.562 1.00 52.22 C ATOM 765 O GLU A 51 15.615 -10.191 0.398 1.00 13.13 O ATOM 766 CB GLU A 51 16.075 -11.402 -2.372 1.00 13.13 C ATOM 767 CG GLU A 51 17.561 -11.635 -2.582 1.00 44.13 C ATOM 768 CD GLU A 51 18.194 -12.426 -1.453 1.00 53.45 C ATOM 769 OE1 GLU A 51 17.596 -13.438 -1.032 1.00 64.54 O ATOM 770 OE2 GLU A 51 19.285 -12.032 -0.991 1.00 73.11 O ATOM 0 H GLU A 51 16.979 -9.457 -3.596 1.00 13.14 H new ATOM 0 HA GLU A 51 14.647 -9.829 -2.036 1.00 62.54 H new ATOM 0 HB2 GLU A 51 15.718 -12.073 -1.591 1.00 13.13 H new ATOM 0 HB3 GLU A 51 15.542 -11.664 -3.286 1.00 13.13 H new ATOM 0 HG2 GLU A 51 17.712 -12.166 -3.522 1.00 44.13 H new ATOM 0 HG3 GLU A 51 18.066 -10.673 -2.674 1.00 44.13 H new ATOM 777 N GLU A 52 17.226 -8.858 -0.433 1.00 1.21 N ATOM 778 CA GLU A 52 17.763 -8.507 0.877 1.00 64.35 C ATOM 779 C GLU A 52 17.154 -7.204 1.384 1.00 53.44 C ATOM 780 O GLU A 52 16.629 -7.144 2.495 1.00 53.51 O ATOM 781 CB GLU A 52 19.287 -8.379 0.810 1.00 53.54 C ATOM 782 CG GLU A 52 19.931 -8.066 2.150 1.00 74.31 C ATOM 783 CD GLU A 52 21.444 -8.015 2.072 1.00 1.11 C ATOM 784 OE1 GLU A 52 21.986 -6.939 1.744 1.00 53.22 O ATOM 785 OE2 GLU A 52 22.087 -9.052 2.340 1.00 12.31 O ATOM 0 H GLU A 52 17.712 -8.425 -1.218 1.00 1.21 H new ATOM 0 HA GLU A 52 17.502 -9.304 1.573 1.00 64.35 H new ATOM 0 HB2 GLU A 52 19.705 -9.309 0.424 1.00 53.54 H new ATOM 0 HB3 GLU A 52 19.546 -7.594 0.100 1.00 53.54 H new ATOM 0 HG2 GLU A 52 19.557 -7.109 2.514 1.00 74.31 H new ATOM 0 HG3 GLU A 52 19.634 -8.822 2.877 1.00 74.31 H new ATOM 792 N GLU A 53 17.228 -6.162 0.560 1.00 25.53 N ATOM 793 CA GLU A 53 16.685 -4.860 0.926 1.00 3.42 C ATOM 794 C GLU A 53 15.165 -4.849 0.799 1.00 34.01 C ATOM 795 O GLU A 53 14.452 -4.567 1.763 1.00 71.14 O ATOM 796 CB GLU A 53 17.289 -3.765 0.044 1.00 3.45 C ATOM 797 CG GLU A 53 18.708 -3.384 0.433 1.00 63.55 C ATOM 798 CD GLU A 53 19.709 -4.485 0.137 1.00 34.35 C ATOM 799 OE1 GLU A 53 19.839 -5.408 0.969 1.00 52.13 O ATOM 800 OE2 GLU A 53 20.361 -4.424 -0.926 1.00 2.43 O ATOM 0 H GLU A 53 17.658 -6.195 -0.364 1.00 25.53 H new ATOM 0 HA GLU A 53 16.947 -4.665 1.966 1.00 3.42 H new ATOM 0 HB2 GLU A 53 17.283 -4.101 -0.993 1.00 3.45 H new ATOM 0 HB3 GLU A 53 16.657 -2.879 0.095 1.00 3.45 H new ATOM 0 HG2 GLU A 53 18.998 -2.481 -0.104 1.00 63.55 H new ATOM 0 HG3 GLU A 53 18.738 -3.147 1.496 1.00 63.55 H new ATOM 807 N PHE A 54 14.675 -5.158 -0.397 1.00 14.40 N ATOM 808 CA PHE A 54 13.239 -5.182 -0.652 1.00 30.42 C ATOM 809 C PHE A 54 12.599 -6.425 -0.040 1.00 23.22 C ATOM 810 O PHE A 54 11.378 -6.577 -0.051 1.00 74.21 O ATOM 811 CB PHE A 54 12.966 -5.143 -2.157 1.00 31.12 C ATOM 812 CG PHE A 54 12.980 -3.756 -2.733 1.00 10.14 C ATOM 813 CD1 PHE A 54 11.867 -2.937 -2.629 1.00 71.32 C ATOM 814 CD2 PHE A 54 14.106 -3.271 -3.378 1.00 2.33 C ATOM 815 CE1 PHE A 54 11.877 -1.660 -3.158 1.00 34.14 C ATOM 816 CE2 PHE A 54 14.122 -1.994 -3.908 1.00 31.44 C ATOM 817 CZ PHE A 54 13.005 -1.189 -3.799 1.00 4.54 C ATOM 0 H PHE A 54 15.251 -5.395 -1.205 1.00 14.40 H new ATOM 0 HA PHE A 54 12.798 -4.301 -0.187 1.00 30.42 H new ATOM 0 HB2 PHE A 54 13.714 -5.748 -2.670 1.00 31.12 H new ATOM 0 HB3 PHE A 54 11.996 -5.600 -2.354 1.00 31.12 H new ATOM 0 HD1 PHE A 54 10.982 -3.301 -2.129 1.00 71.32 H new ATOM 0 HD2 PHE A 54 14.981 -3.897 -3.468 1.00 2.33 H new ATOM 0 HE1 PHE A 54 11.003 -1.031 -3.070 1.00 34.14 H new ATOM 0 HE2 PHE A 54 15.007 -1.627 -4.407 1.00 31.44 H new ATOM 0 HZ PHE A 54 13.014 -0.192 -4.215 1.00 4.54 H new ATOM 827 N ASP A 55 13.434 -7.311 0.493 1.00 34.00 N ATOM 828 CA ASP A 55 12.951 -8.541 1.111 1.00 51.25 C ATOM 829 C ASP A 55 12.020 -9.294 0.165 1.00 24.54 C ATOM 830 O ASP A 55 11.029 -9.886 0.593 1.00 32.43 O ATOM 831 CB ASP A 55 12.225 -8.228 2.420 1.00 75.43 C ATOM 832 CG ASP A 55 13.182 -7.976 3.567 1.00 25.04 C ATOM 833 OD1 ASP A 55 13.821 -8.944 4.031 1.00 73.04 O ATOM 834 OD2 ASP A 55 13.293 -6.811 4.003 1.00 42.31 O ATOM 0 H ASP A 55 14.448 -7.200 0.510 1.00 34.00 H new ATOM 0 HA ASP A 55 13.812 -9.174 1.325 1.00 51.25 H new ATOM 0 HB2 ASP A 55 11.592 -7.352 2.280 1.00 75.43 H new ATOM 0 HB3 ASP A 55 11.568 -9.059 2.675 1.00 75.43 H new ATOM 839 N THR A 56 12.346 -9.268 -1.123 1.00 52.04 N ATOM 840 CA THR A 56 11.539 -9.946 -2.130 1.00 34.24 C ATOM 841 C THR A 56 11.977 -11.396 -2.301 1.00 4.02 C ATOM 842 O THR A 56 13.054 -11.785 -1.849 1.00 71.02 O ATOM 843 CB THR A 56 11.622 -9.232 -3.492 1.00 23.12 C ATOM 844 OG1 THR A 56 12.989 -9.119 -3.902 1.00 45.14 O ATOM 845 CG2 THR A 56 10.994 -7.849 -3.417 1.00 53.22 C ATOM 0 H THR A 56 13.164 -8.784 -1.494 1.00 52.04 H new ATOM 0 HA THR A 56 10.508 -9.920 -1.778 1.00 34.24 H new ATOM 0 HB THR A 56 11.071 -9.824 -4.223 1.00 23.12 H new ATOM 0 HG1 THR A 56 13.034 -8.666 -4.770 1.00 45.14 H new ATOM 0 HG21 THR A 56 11.065 -7.364 -4.391 1.00 53.22 H new ATOM 0 HG22 THR A 56 9.946 -7.940 -3.132 1.00 53.22 H new ATOM 0 HG23 THR A 56 11.521 -7.250 -2.674 1.00 53.22 H new ATOM 853 N GLU A 57 11.137 -12.190 -2.956 1.00 61.45 N ATOM 854 CA GLU A 57 11.440 -13.598 -3.187 1.00 21.14 C ATOM 855 C GLU A 57 12.002 -13.811 -4.589 1.00 75.54 C ATOM 856 O GLU A 57 11.265 -14.136 -5.521 1.00 70.22 O ATOM 857 CB GLU A 57 10.185 -14.451 -2.993 1.00 32.24 C ATOM 858 CG GLU A 57 10.478 -15.873 -2.545 1.00 25.23 C ATOM 859 CD GLU A 57 9.224 -16.637 -2.168 1.00 71.24 C ATOM 860 OE1 GLU A 57 8.645 -16.338 -1.103 1.00 22.13 O ATOM 861 OE2 GLU A 57 8.821 -17.534 -2.938 1.00 51.45 O ATOM 0 H GLU A 57 10.242 -11.883 -3.336 1.00 61.45 H new ATOM 0 HA GLU A 57 12.194 -13.904 -2.462 1.00 21.14 H new ATOM 0 HB2 GLU A 57 9.541 -13.972 -2.255 1.00 32.24 H new ATOM 0 HB3 GLU A 57 9.629 -14.482 -3.930 1.00 32.24 H new ATOM 0 HG2 GLU A 57 10.995 -16.403 -3.345 1.00 25.23 H new ATOM 0 HG3 GLU A 57 11.154 -15.848 -1.691 1.00 25.23 H new ATOM 868 N ILE A 58 13.310 -13.626 -4.731 1.00 74.12 N ATOM 869 CA ILE A 58 13.970 -13.799 -6.019 1.00 51.41 C ATOM 870 C ILE A 58 14.889 -15.015 -6.007 1.00 5.01 C ATOM 871 O ILE A 58 16.110 -14.900 -5.895 1.00 62.32 O ATOM 872 CB ILE A 58 14.790 -12.553 -6.403 1.00 2.25 C ATOM 873 CG1 ILE A 58 13.891 -11.315 -6.440 1.00 63.24 C ATOM 874 CG2 ILE A 58 15.472 -12.760 -7.747 1.00 33.52 C ATOM 875 CD1 ILE A 58 12.751 -11.427 -7.428 1.00 0.40 C ATOM 0 H ILE A 58 13.934 -13.356 -3.970 1.00 74.12 H new ATOM 0 HA ILE A 58 13.184 -13.949 -6.759 1.00 51.41 H new ATOM 0 HB ILE A 58 15.560 -12.397 -5.648 1.00 2.25 H new ATOM 0 HG12 ILE A 58 13.483 -11.142 -5.444 1.00 63.24 H new ATOM 0 HG13 ILE A 58 14.496 -10.444 -6.692 1.00 63.24 H new ATOM 0 HG21 ILE A 58 16.047 -11.871 -8.004 1.00 33.52 H new ATOM 0 HG22 ILE A 58 16.140 -13.619 -7.688 1.00 33.52 H new ATOM 0 HG23 ILE A 58 14.718 -12.939 -8.514 1.00 33.52 H new ATOM 0 HD11 ILE A 58 12.155 -10.515 -7.401 1.00 0.40 H new ATOM 0 HD12 ILE A 58 13.152 -11.569 -8.432 1.00 0.40 H new ATOM 0 HD13 ILE A 58 12.123 -12.278 -7.164 1.00 0.40 H new ATOM 887 N PRO A 59 14.292 -16.210 -6.126 1.00 53.23 N ATOM 888 CA PRO A 59 15.038 -17.471 -6.134 1.00 64.22 C ATOM 889 C PRO A 59 15.864 -17.648 -7.404 1.00 24.03 C ATOM 890 O PRO A 59 16.004 -16.719 -8.199 1.00 41.31 O ATOM 891 CB PRO A 59 13.940 -18.534 -6.059 1.00 33.33 C ATOM 892 CG PRO A 59 12.734 -17.875 -6.634 1.00 42.40 C ATOM 893 CD PRO A 59 12.841 -16.421 -6.263 1.00 71.23 C ATOM 0 HA PRO A 59 15.758 -17.523 -5.317 1.00 64.22 H new ATOM 0 HB2 PRO A 59 14.212 -19.425 -6.625 1.00 33.33 H new ATOM 0 HB3 PRO A 59 13.766 -18.851 -5.031 1.00 33.33 H new ATOM 0 HG2 PRO A 59 12.699 -18.000 -7.716 1.00 42.40 H new ATOM 0 HG3 PRO A 59 11.821 -18.314 -6.233 1.00 42.40 H new ATOM 0 HD2 PRO A 59 12.412 -15.778 -7.031 1.00 71.23 H new ATOM 0 HD3 PRO A 59 12.314 -16.203 -5.334 1.00 71.23 H new ATOM 901 N ASP A 60 16.409 -18.846 -7.587 1.00 40.45 N ATOM 902 CA ASP A 60 17.220 -19.145 -8.762 1.00 3.51 C ATOM 903 C ASP A 60 16.463 -18.813 -10.044 1.00 61.11 C ATOM 904 O ASP A 60 16.992 -18.147 -10.933 1.00 71.13 O ATOM 905 CB ASP A 60 17.630 -20.618 -8.763 1.00 62.13 C ATOM 906 CG ASP A 60 18.439 -20.995 -7.538 1.00 33.34 C ATOM 907 OD1 ASP A 60 19.622 -20.604 -7.465 1.00 22.13 O ATOM 908 OD2 ASP A 60 17.888 -21.682 -6.652 1.00 22.53 O ATOM 0 H ASP A 60 16.304 -19.625 -6.937 1.00 40.45 H new ATOM 0 HA ASP A 60 18.117 -18.527 -8.721 1.00 3.51 H new ATOM 0 HB2 ASP A 60 16.737 -21.241 -8.810 1.00 62.13 H new ATOM 0 HB3 ASP A 60 18.214 -20.829 -9.659 1.00 62.13 H new ATOM 913 N GLU A 61 15.223 -19.284 -10.131 1.00 52.35 N ATOM 914 CA GLU A 61 14.394 -19.038 -11.306 1.00 64.31 C ATOM 915 C GLU A 61 14.300 -17.544 -11.603 1.00 20.51 C ATOM 916 O GLU A 61 14.804 -17.071 -12.621 1.00 14.01 O ATOM 917 CB GLU A 61 12.993 -19.618 -11.100 1.00 25.02 C ATOM 918 CG GLU A 61 12.957 -21.137 -11.100 1.00 62.01 C ATOM 919 CD GLU A 61 11.559 -21.687 -10.895 1.00 21.23 C ATOM 920 OE1 GLU A 61 10.790 -21.080 -10.121 1.00 74.02 O ATOM 921 OE2 GLU A 61 11.235 -22.725 -11.508 1.00 71.55 O ATOM 0 H GLU A 61 14.771 -19.837 -9.403 1.00 52.35 H new ATOM 0 HA GLU A 61 14.862 -19.531 -12.158 1.00 64.31 H new ATOM 0 HB2 GLU A 61 12.594 -19.254 -10.154 1.00 25.02 H new ATOM 0 HB3 GLU A 61 12.336 -19.247 -11.887 1.00 25.02 H new ATOM 0 HG2 GLU A 61 13.354 -21.506 -12.046 1.00 62.01 H new ATOM 0 HG3 GLU A 61 13.610 -21.512 -10.312 1.00 62.01 H new ATOM 928 N GLU A 62 13.651 -16.809 -10.706 1.00 54.21 N ATOM 929 CA GLU A 62 13.489 -15.369 -10.873 1.00 31.23 C ATOM 930 C GLU A 62 14.842 -14.688 -11.057 1.00 53.54 C ATOM 931 O GLU A 62 14.933 -13.618 -11.659 1.00 14.33 O ATOM 932 CB GLU A 62 12.765 -14.772 -9.664 1.00 41.44 C ATOM 933 CG GLU A 62 11.407 -15.398 -9.397 1.00 72.04 C ATOM 934 CD GLU A 62 10.617 -15.643 -10.669 1.00 24.13 C ATOM 935 OE1 GLU A 62 10.926 -16.623 -11.378 1.00 63.34 O ATOM 936 OE2 GLU A 62 9.692 -14.855 -10.954 1.00 74.30 O ATOM 0 H GLU A 62 13.229 -17.186 -9.857 1.00 54.21 H new ATOM 0 HA GLU A 62 12.890 -15.197 -11.767 1.00 31.23 H new ATOM 0 HB2 GLU A 62 13.391 -14.893 -8.780 1.00 41.44 H new ATOM 0 HB3 GLU A 62 12.637 -13.701 -9.820 1.00 41.44 H new ATOM 0 HG2 GLU A 62 11.544 -16.343 -8.871 1.00 72.04 H new ATOM 0 HG3 GLU A 62 10.834 -14.746 -8.738 1.00 72.04 H new ATOM 943 N ALA A 63 15.890 -15.315 -10.535 1.00 21.31 N ATOM 944 CA ALA A 63 17.238 -14.771 -10.643 1.00 20.11 C ATOM 945 C ALA A 63 17.788 -14.943 -12.055 1.00 22.44 C ATOM 946 O ALA A 63 18.617 -14.155 -12.508 1.00 0.25 O ATOM 947 CB ALA A 63 18.159 -15.437 -9.631 1.00 14.33 C ATOM 0 H ALA A 63 15.832 -16.201 -10.033 1.00 21.31 H new ATOM 0 HA ALA A 63 17.191 -13.704 -10.427 1.00 20.11 H new ATOM 0 HB1 ALA A 63 19.162 -15.021 -9.723 1.00 14.33 H new ATOM 0 HB2 ALA A 63 17.783 -15.258 -8.624 1.00 14.33 H new ATOM 0 HB3 ALA A 63 18.192 -16.510 -9.820 1.00 14.33 H new ATOM 953 N GLU A 64 17.322 -15.980 -12.744 1.00 52.12 N ATOM 954 CA GLU A 64 17.770 -16.255 -14.104 1.00 74.33 C ATOM 955 C GLU A 64 17.066 -15.342 -15.104 1.00 45.31 C ATOM 956 O GLU A 64 17.648 -14.941 -16.113 1.00 2.04 O ATOM 957 CB GLU A 64 17.509 -17.720 -14.464 1.00 41.41 C ATOM 958 CG GLU A 64 18.621 -18.660 -14.031 1.00 2.12 C ATOM 959 CD GLU A 64 18.270 -20.119 -14.250 1.00 44.34 C ATOM 960 OE1 GLU A 64 18.104 -20.518 -15.422 1.00 31.20 O ATOM 961 OE2 GLU A 64 18.162 -20.860 -13.252 1.00 20.32 O ATOM 0 H GLU A 64 16.635 -16.643 -12.383 1.00 52.12 H new ATOM 0 HA GLU A 64 18.841 -16.061 -14.152 1.00 74.33 H new ATOM 0 HB2 GLU A 64 16.575 -18.038 -14.001 1.00 41.41 H new ATOM 0 HB3 GLU A 64 17.375 -17.802 -15.543 1.00 41.41 H new ATOM 0 HG2 GLU A 64 19.529 -18.422 -14.585 1.00 2.12 H new ATOM 0 HG3 GLU A 64 18.839 -18.497 -12.976 1.00 2.12 H new ATOM 968 N LYS A 65 15.810 -15.016 -14.818 1.00 25.55 N ATOM 969 CA LYS A 65 15.026 -14.150 -15.689 1.00 40.02 C ATOM 970 C LYS A 65 15.360 -12.682 -15.441 1.00 34.53 C ATOM 971 O LYS A 65 15.321 -11.863 -16.359 1.00 75.54 O ATOM 972 CB LYS A 65 13.531 -14.389 -15.468 1.00 53.31 C ATOM 973 CG LYS A 65 12.991 -13.740 -14.205 1.00 25.11 C ATOM 974 CD LYS A 65 11.500 -13.985 -14.045 1.00 44.02 C ATOM 975 CE LYS A 65 10.693 -13.190 -15.060 1.00 61.32 C ATOM 976 NZ LYS A 65 9.234 -13.239 -14.769 1.00 35.30 N ATOM 0 H LYS A 65 15.313 -15.339 -13.988 1.00 25.55 H new ATOM 0 HA LYS A 65 15.277 -14.392 -16.722 1.00 40.02 H new ATOM 0 HB2 LYS A 65 12.980 -14.007 -16.327 1.00 53.31 H new ATOM 0 HB3 LYS A 65 13.346 -15.462 -15.422 1.00 53.31 H new ATOM 0 HG2 LYS A 65 13.520 -14.134 -13.338 1.00 25.11 H new ATOM 0 HG3 LYS A 65 13.183 -12.667 -14.235 1.00 25.11 H new ATOM 0 HD2 LYS A 65 11.290 -15.048 -14.164 1.00 44.02 H new ATOM 0 HD3 LYS A 65 11.191 -13.710 -13.037 1.00 44.02 H new ATOM 0 HE2 LYS A 65 11.029 -12.153 -15.059 1.00 61.32 H new ATOM 0 HE3 LYS A 65 10.877 -13.584 -16.059 1.00 61.32 H new ATOM 0 HZ1 LYS A 65 8.719 -12.685 -15.483 1.00 35.30 H new ATOM 0 HZ2 LYS A 65 8.908 -14.226 -14.795 1.00 35.30 H new ATOM 0 HZ3 LYS A 65 9.055 -12.840 -13.826 1.00 35.30 H new ATOM 990 N ILE A 66 15.688 -12.358 -14.195 1.00 4.11 N ATOM 991 CA ILE A 66 16.031 -10.990 -13.828 1.00 2.33 C ATOM 992 C ILE A 66 17.528 -10.738 -13.979 1.00 34.42 C ATOM 993 O ILE A 66 18.289 -10.856 -13.018 1.00 10.11 O ATOM 994 CB ILE A 66 15.613 -10.674 -12.380 1.00 13.25 C ATOM 995 CG1 ILE A 66 14.104 -10.861 -12.209 1.00 54.54 C ATOM 996 CG2 ILE A 66 16.022 -9.257 -12.007 1.00 52.41 C ATOM 997 CD1 ILE A 66 13.280 -9.836 -12.957 1.00 52.32 C ATOM 0 H ILE A 66 15.723 -13.024 -13.423 1.00 4.11 H new ATOM 0 HA ILE A 66 15.485 -10.335 -14.507 1.00 2.33 H new ATOM 0 HB ILE A 66 16.124 -11.366 -11.711 1.00 13.25 H new ATOM 0 HG12 ILE A 66 13.828 -11.858 -12.553 1.00 54.54 H new ATOM 0 HG13 ILE A 66 13.857 -10.810 -11.148 1.00 54.54 H new ATOM 0 HG21 ILE A 66 15.719 -9.049 -10.981 1.00 52.41 H new ATOM 0 HG22 ILE A 66 17.104 -9.156 -12.094 1.00 52.41 H new ATOM 0 HG23 ILE A 66 15.536 -8.549 -12.679 1.00 52.41 H new ATOM 0 HD11 ILE A 66 12.220 -10.029 -12.791 1.00 52.32 H new ATOM 0 HD12 ILE A 66 13.527 -8.837 -12.597 1.00 52.32 H new ATOM 0 HD13 ILE A 66 13.498 -9.902 -14.023 1.00 52.32 H new ATOM 1009 N THR A 67 17.944 -10.390 -15.192 1.00 41.42 N ATOM 1010 CA THR A 67 19.349 -10.121 -15.470 1.00 3.40 C ATOM 1011 C THR A 67 19.526 -8.771 -16.156 1.00 55.20 C ATOM 1012 O THR A 67 20.550 -8.513 -16.789 1.00 52.13 O ATOM 1013 CB THR A 67 19.967 -11.219 -16.356 1.00 40.32 C ATOM 1014 OG1 THR A 67 21.363 -10.966 -16.548 1.00 4.14 O ATOM 1015 CG2 THR A 67 19.268 -11.282 -17.706 1.00 2.50 C ATOM 0 H THR A 67 17.328 -10.288 -15.998 1.00 41.42 H new ATOM 0 HA THR A 67 19.864 -10.107 -14.509 1.00 3.40 H new ATOM 0 HB THR A 67 19.838 -12.177 -15.852 1.00 40.32 H new ATOM 0 HG1 THR A 67 21.505 -10.008 -16.695 1.00 4.14 H new ATOM 0 HG21 THR A 67 19.722 -12.065 -18.314 1.00 2.50 H new ATOM 0 HG22 THR A 67 18.211 -11.504 -17.558 1.00 2.50 H new ATOM 0 HG23 THR A 67 19.370 -10.323 -18.214 1.00 2.50 H new ATOM 1023 N THR A 68 18.520 -7.910 -16.026 1.00 65.31 N ATOM 1024 CA THR A 68 18.564 -6.586 -16.634 1.00 23.40 C ATOM 1025 C THR A 68 17.984 -5.532 -15.698 1.00 71.23 C ATOM 1026 O THR A 68 17.484 -5.852 -14.620 1.00 23.44 O ATOM 1027 CB THR A 68 17.793 -6.554 -17.967 1.00 34.43 C ATOM 1028 OG1 THR A 68 16.383 -6.555 -17.716 1.00 73.35 O ATOM 1029 CG2 THR A 68 18.160 -7.749 -18.833 1.00 73.45 C ATOM 0 H THR A 68 17.665 -8.107 -15.505 1.00 65.31 H new ATOM 0 HA THR A 68 19.613 -6.360 -16.825 1.00 23.40 H new ATOM 0 HB THR A 68 18.067 -5.643 -18.499 1.00 34.43 H new ATOM 0 HG1 THR A 68 15.899 -6.533 -18.568 1.00 73.35 H new ATOM 0 HG21 THR A 68 17.603 -7.705 -19.769 1.00 73.45 H new ATOM 0 HG22 THR A 68 19.229 -7.730 -19.046 1.00 73.45 H new ATOM 0 HG23 THR A 68 17.911 -8.670 -18.306 1.00 73.45 H new ATOM 1037 N VAL A 69 18.052 -4.273 -16.118 1.00 44.20 N ATOM 1038 CA VAL A 69 17.532 -3.171 -15.318 1.00 13.12 C ATOM 1039 C VAL A 69 16.007 -3.157 -15.327 1.00 62.05 C ATOM 1040 O VAL A 69 15.369 -3.327 -14.289 1.00 62.41 O ATOM 1041 CB VAL A 69 18.050 -1.813 -15.828 1.00 33.01 C ATOM 1042 CG1 VAL A 69 17.703 -0.705 -14.845 1.00 34.42 C ATOM 1043 CG2 VAL A 69 19.551 -1.872 -16.069 1.00 34.31 C ATOM 0 H VAL A 69 18.462 -3.991 -17.008 1.00 44.20 H new ATOM 0 HA VAL A 69 17.885 -3.326 -14.299 1.00 13.12 H new ATOM 0 HB VAL A 69 17.561 -1.591 -16.776 1.00 33.01 H new ATOM 0 HG11 VAL A 69 18.077 0.247 -15.223 1.00 34.42 H new ATOM 0 HG12 VAL A 69 16.621 -0.649 -14.727 1.00 34.42 H new ATOM 0 HG13 VAL A 69 18.162 -0.918 -13.880 1.00 34.42 H new ATOM 0 HG21 VAL A 69 19.900 -0.904 -16.429 1.00 34.31 H new ATOM 0 HG22 VAL A 69 20.060 -2.117 -15.137 1.00 34.31 H new ATOM 0 HG23 VAL A 69 19.770 -2.637 -16.814 1.00 34.31 H new ATOM 1053 N GLN A 70 15.430 -2.954 -16.507 1.00 43.54 N ATOM 1054 CA GLN A 70 13.980 -2.917 -16.652 1.00 32.31 C ATOM 1055 C GLN A 70 13.338 -4.140 -16.005 1.00 33.10 C ATOM 1056 O GLN A 70 12.282 -4.041 -15.380 1.00 60.53 O ATOM 1057 CB GLN A 70 13.595 -2.847 -18.131 1.00 0.24 C ATOM 1058 CG GLN A 70 12.098 -2.951 -18.375 1.00 43.55 C ATOM 1059 CD GLN A 70 11.289 -2.116 -17.403 1.00 14.03 C ATOM 1060 OE1 GLN A 70 10.284 -2.576 -16.860 1.00 13.45 O ATOM 1061 NE2 GLN A 70 11.723 -0.882 -17.177 1.00 50.42 N ATOM 0 H GLN A 70 15.945 -2.813 -17.376 1.00 43.54 H new ATOM 0 HA GLN A 70 13.612 -2.024 -16.146 1.00 32.31 H new ATOM 0 HB2 GLN A 70 13.959 -1.908 -18.549 1.00 0.24 H new ATOM 0 HB3 GLN A 70 14.099 -3.651 -18.668 1.00 0.24 H new ATOM 0 HG2 GLN A 70 11.877 -2.632 -19.394 1.00 43.55 H new ATOM 0 HG3 GLN A 70 11.792 -3.994 -18.294 1.00 43.55 H new ATOM 0 HE21 GLN A 70 12.561 -0.542 -17.649 1.00 50.42 H new ATOM 0 HE22 GLN A 70 11.219 -0.274 -16.532 1.00 50.42 H new ATOM 1070 N ALA A 71 13.982 -5.292 -16.160 1.00 21.15 N ATOM 1071 CA ALA A 71 13.475 -6.534 -15.589 1.00 54.20 C ATOM 1072 C ALA A 71 13.455 -6.470 -14.066 1.00 34.14 C ATOM 1073 O ALA A 71 12.486 -6.885 -13.430 1.00 54.23 O ATOM 1074 CB ALA A 71 14.314 -7.712 -16.059 1.00 22.40 C ATOM 0 H ALA A 71 14.856 -5.391 -16.676 1.00 21.15 H new ATOM 0 HA ALA A 71 12.450 -6.672 -15.934 1.00 54.20 H new ATOM 0 HB1 ALA A 71 13.924 -8.633 -15.625 1.00 22.40 H new ATOM 0 HB2 ALA A 71 14.272 -7.777 -17.146 1.00 22.40 H new ATOM 0 HB3 ALA A 71 15.348 -7.571 -15.743 1.00 22.40 H new ATOM 1080 N ALA A 72 14.531 -5.949 -13.486 1.00 12.14 N ATOM 1081 CA ALA A 72 14.636 -5.830 -12.037 1.00 34.14 C ATOM 1082 C ALA A 72 13.659 -4.789 -11.499 1.00 64.30 C ATOM 1083 O ALA A 72 12.823 -5.091 -10.647 1.00 73.15 O ATOM 1084 CB ALA A 72 16.061 -5.476 -11.638 1.00 14.41 C ATOM 0 H ALA A 72 15.343 -5.602 -13.998 1.00 12.14 H new ATOM 0 HA ALA A 72 14.377 -6.794 -11.599 1.00 34.14 H new ATOM 0 HB1 ALA A 72 16.124 -5.390 -10.553 1.00 14.41 H new ATOM 0 HB2 ALA A 72 16.740 -6.257 -11.981 1.00 14.41 H new ATOM 0 HB3 ALA A 72 16.341 -4.526 -12.094 1.00 14.41 H new ATOM 1090 N ILE A 73 13.772 -3.564 -12.001 1.00 24.22 N ATOM 1091 CA ILE A 73 12.899 -2.479 -11.571 1.00 31.55 C ATOM 1092 C ILE A 73 11.431 -2.865 -11.716 1.00 32.20 C ATOM 1093 O ILE A 73 10.589 -2.455 -10.917 1.00 34.40 O ATOM 1094 CB ILE A 73 13.162 -1.192 -12.374 1.00 71.44 C ATOM 1095 CG1 ILE A 73 12.431 -0.009 -11.737 1.00 41.21 C ATOM 1096 CG2 ILE A 73 12.728 -1.373 -13.821 1.00 75.41 C ATOM 1097 CD1 ILE A 73 13.116 0.530 -10.501 1.00 24.12 C ATOM 0 H ILE A 73 14.460 -3.298 -12.706 1.00 24.22 H new ATOM 0 HA ILE A 73 13.121 -2.293 -10.520 1.00 31.55 H new ATOM 0 HB ILE A 73 14.232 -0.984 -12.359 1.00 71.44 H new ATOM 0 HG12 ILE A 73 12.343 0.791 -12.472 1.00 41.21 H new ATOM 0 HG13 ILE A 73 11.418 -0.316 -11.477 1.00 41.21 H new ATOM 0 HG21 ILE A 73 12.920 -0.455 -14.376 1.00 75.41 H new ATOM 0 HG22 ILE A 73 13.290 -2.192 -14.270 1.00 75.41 H new ATOM 0 HG23 ILE A 73 11.663 -1.602 -13.855 1.00 75.41 H new ATOM 0 HD11 ILE A 73 12.542 1.367 -10.103 1.00 24.12 H new ATOM 0 HD12 ILE A 73 13.181 -0.256 -9.749 1.00 24.12 H new ATOM 0 HD13 ILE A 73 14.119 0.868 -10.759 1.00 24.12 H new ATOM 1109 N ASP A 74 11.132 -3.657 -12.740 1.00 33.13 N ATOM 1110 CA ASP A 74 9.765 -4.102 -12.989 1.00 2.52 C ATOM 1111 C ASP A 74 9.309 -5.084 -11.915 1.00 21.22 C ATOM 1112 O ASP A 74 8.237 -4.927 -11.331 1.00 35.42 O ATOM 1113 CB ASP A 74 9.661 -4.751 -14.369 1.00 63.35 C ATOM 1114 CG ASP A 74 8.243 -5.164 -14.710 1.00 13.31 C ATOM 1115 OD1 ASP A 74 7.331 -4.321 -14.574 1.00 34.21 O ATOM 1116 OD2 ASP A 74 8.045 -6.329 -15.113 1.00 55.42 O ATOM 0 H ASP A 74 11.817 -4.004 -13.411 1.00 33.13 H new ATOM 0 HA ASP A 74 9.113 -3.229 -12.957 1.00 2.52 H new ATOM 0 HB2 ASP A 74 10.024 -4.053 -15.124 1.00 63.35 H new ATOM 0 HB3 ASP A 74 10.310 -5.626 -14.405 1.00 63.35 H new ATOM 1121 N TYR A 75 10.130 -6.097 -11.660 1.00 73.24 N ATOM 1122 CA TYR A 75 9.809 -7.108 -10.659 1.00 41.33 C ATOM 1123 C TYR A 75 9.499 -6.461 -9.313 1.00 22.24 C ATOM 1124 O TYR A 75 8.389 -6.580 -8.794 1.00 70.31 O ATOM 1125 CB TYR A 75 10.969 -8.093 -10.510 1.00 20.45 C ATOM 1126 CG TYR A 75 10.572 -9.403 -9.867 1.00 35.02 C ATOM 1127 CD1 TYR A 75 10.072 -9.440 -8.571 1.00 32.40 C ATOM 1128 CD2 TYR A 75 10.695 -10.603 -10.556 1.00 71.21 C ATOM 1129 CE1 TYR A 75 9.708 -10.635 -7.980 1.00 3.22 C ATOM 1130 CE2 TYR A 75 10.332 -11.802 -9.973 1.00 64.23 C ATOM 1131 CZ TYR A 75 9.840 -11.813 -8.685 1.00 2.21 C ATOM 1132 OH TYR A 75 9.478 -13.005 -8.100 1.00 12.50 O ATOM 0 H TYR A 75 11.023 -6.240 -12.133 1.00 73.24 H new ATOM 0 HA TYR A 75 8.924 -7.648 -10.994 1.00 41.33 H new ATOM 0 HB2 TYR A 75 11.392 -8.294 -11.494 1.00 20.45 H new ATOM 0 HB3 TYR A 75 11.755 -7.629 -9.914 1.00 20.45 H new ATOM 0 HD1 TYR A 75 9.966 -8.519 -8.016 1.00 32.40 H new ATOM 0 HD2 TYR A 75 11.081 -10.599 -11.565 1.00 71.21 H new ATOM 0 HE1 TYR A 75 9.322 -10.646 -6.971 1.00 3.22 H new ATOM 0 HE2 TYR A 75 10.433 -12.726 -10.523 1.00 64.23 H new ATOM 0 HH TYR A 75 10.091 -13.207 -7.362 1.00 12.50 H new ATOM 1142 N VAL A 76 10.490 -5.775 -8.751 1.00 74.10 N ATOM 1143 CA VAL A 76 10.324 -5.107 -7.466 1.00 23.34 C ATOM 1144 C VAL A 76 9.101 -4.198 -7.472 1.00 50.53 C ATOM 1145 O VAL A 76 8.259 -4.266 -6.578 1.00 2.12 O ATOM 1146 CB VAL A 76 11.568 -4.274 -7.102 1.00 32.43 C ATOM 1147 CG1 VAL A 76 11.365 -3.565 -5.771 1.00 62.43 C ATOM 1148 CG2 VAL A 76 12.806 -5.157 -7.062 1.00 4.32 C ATOM 0 H VAL A 76 11.416 -5.668 -9.166 1.00 74.10 H new ATOM 0 HA VAL A 76 10.187 -5.889 -6.719 1.00 23.34 H new ATOM 0 HB VAL A 76 11.715 -3.516 -7.871 1.00 32.43 H new ATOM 0 HG11 VAL A 76 12.254 -2.982 -5.530 1.00 62.43 H new ATOM 0 HG12 VAL A 76 10.503 -2.901 -5.840 1.00 62.43 H new ATOM 0 HG13 VAL A 76 11.193 -4.303 -4.988 1.00 62.43 H new ATOM 0 HG21 VAL A 76 13.676 -4.553 -6.803 1.00 4.32 H new ATOM 0 HG22 VAL A 76 12.672 -5.938 -6.314 1.00 4.32 H new ATOM 0 HG23 VAL A 76 12.959 -5.613 -8.040 1.00 4.32 H new ATOM 1158 N ASN A 77 9.009 -3.346 -8.488 1.00 44.34 N ATOM 1159 CA ASN A 77 7.888 -2.421 -8.612 1.00 62.20 C ATOM 1160 C ASN A 77 6.564 -3.177 -8.672 1.00 1.24 C ATOM 1161 O ASN A 77 5.518 -2.647 -8.297 1.00 51.05 O ATOM 1162 CB ASN A 77 8.050 -1.555 -9.862 1.00 44.54 C ATOM 1163 CG ASN A 77 6.985 -0.480 -9.963 1.00 71.24 C ATOM 1164 OD1 ASN A 77 5.888 -0.724 -10.467 1.00 10.54 O ATOM 1165 ND2 ASN A 77 7.304 0.716 -9.484 1.00 42.53 N ATOM 0 H ASN A 77 9.697 -3.277 -9.238 1.00 44.34 H new ATOM 0 HA ASN A 77 7.880 -1.778 -7.732 1.00 62.20 H new ATOM 0 HB2 ASN A 77 9.035 -1.087 -9.851 1.00 44.54 H new ATOM 0 HB3 ASN A 77 8.008 -2.189 -10.748 1.00 44.54 H new ATOM 0 HD21 ASN A 77 6.628 1.479 -9.525 1.00 42.53 H new ATOM 0 HD22 ASN A 77 8.225 0.872 -9.075 1.00 42.53 H new ATOM 1172 N SER A 78 6.618 -4.418 -9.144 1.00 61.01 N ATOM 1173 CA SER A 78 5.423 -5.246 -9.256 1.00 11.02 C ATOM 1174 C SER A 78 5.110 -5.931 -7.929 1.00 4.33 C ATOM 1175 O SER A 78 3.947 -6.109 -7.568 1.00 34.30 O ATOM 1176 CB SER A 78 5.605 -6.296 -10.354 1.00 11.31 C ATOM 1177 OG SER A 78 4.354 -6.796 -10.794 1.00 10.33 O ATOM 0 H SER A 78 7.477 -4.872 -9.455 1.00 61.01 H new ATOM 0 HA SER A 78 4.586 -4.598 -9.517 1.00 11.02 H new ATOM 0 HB2 SER A 78 6.141 -5.857 -11.196 1.00 11.31 H new ATOM 0 HB3 SER A 78 6.217 -7.117 -9.979 1.00 11.31 H new ATOM 0 HG SER A 78 4.497 -7.464 -11.497 1.00 10.33 H new ATOM 1183 N HIS A 79 6.159 -6.312 -7.206 1.00 35.33 N ATOM 1184 CA HIS A 79 5.997 -6.977 -5.917 1.00 63.35 C ATOM 1185 C HIS A 79 6.117 -5.977 -4.771 1.00 60.52 C ATOM 1186 O HIS A 79 6.925 -6.158 -3.861 1.00 2.21 O ATOM 1187 CB HIS A 79 7.041 -8.083 -5.756 1.00 51.04 C ATOM 1188 CG HIS A 79 6.813 -9.258 -6.657 1.00 41.43 C ATOM 1189 ND1 HIS A 79 6.731 -9.149 -8.029 1.00 45.15 N ATOM 1190 CD2 HIS A 79 6.651 -10.571 -6.375 1.00 60.41 C ATOM 1191 CE1 HIS A 79 6.527 -10.345 -8.552 1.00 43.22 C ATOM 1192 NE2 HIS A 79 6.475 -11.226 -7.569 1.00 40.35 N ATOM 0 H HIS A 79 7.129 -6.172 -7.490 1.00 35.33 H new ATOM 0 HA HIS A 79 5.001 -7.420 -5.886 1.00 63.35 H new ATOM 0 HB2 HIS A 79 8.030 -7.670 -5.955 1.00 51.04 H new ATOM 0 HB3 HIS A 79 7.040 -8.424 -4.721 1.00 51.04 H new ATOM 0 HD2 HIS A 79 6.659 -11.021 -5.393 1.00 60.41 H new ATOM 0 HE1 HIS A 79 6.421 -10.565 -9.604 1.00 43.22 H new ATOM 0 HE2 HIS A 79 6.328 -12.229 -7.679 1.00 40.35 H new ATOM 1200 N GLN A 80 5.308 -4.924 -4.824 1.00 61.21 N ATOM 1201 CA GLN A 80 5.325 -3.896 -3.791 1.00 4.33 C ATOM 1202 C GLN A 80 4.143 -4.058 -2.841 1.00 71.12 C ATOM 1203 O GLN A 80 3.929 -3.233 -1.952 1.00 23.30 O ATOM 1204 CB GLN A 80 5.297 -2.504 -4.426 1.00 24.43 C ATOM 1205 CG GLN A 80 4.171 -2.316 -5.429 1.00 62.23 C ATOM 1206 CD GLN A 80 4.023 -0.875 -5.877 1.00 21.41 C ATOM 1207 OE1 GLN A 80 3.100 -0.175 -5.459 1.00 24.20 O ATOM 1208 NE2 GLN A 80 4.934 -0.424 -6.732 1.00 33.15 N ATOM 0 H GLN A 80 4.633 -4.761 -5.571 1.00 61.21 H new ATOM 0 HA GLN A 80 6.246 -4.008 -3.218 1.00 4.33 H new ATOM 0 HB2 GLN A 80 5.200 -1.756 -3.639 1.00 24.43 H new ATOM 0 HB3 GLN A 80 6.250 -2.321 -4.923 1.00 24.43 H new ATOM 0 HG2 GLN A 80 4.356 -2.946 -6.299 1.00 62.23 H new ATOM 0 HG3 GLN A 80 3.234 -2.653 -4.985 1.00 62.23 H new ATOM 0 HE21 GLN A 80 5.682 -1.039 -7.052 1.00 33.15 H new ATOM 0 HE22 GLN A 80 4.886 0.538 -7.069 1.00 33.15 H new TER 1217 GLN A 80