USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 821 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= 0.461 K(o=0.0037,f=-0.67) USER MOD Set 1.2: A 59 TYR OH : rot 62:sc= -0.458 USER MOD Set 2.1: A 16 HIS : no HD1:sc= 0 X(o=0.022,f=0.0099) USER MOD Set 2.2: A 17 GLN : amide:sc= 0.0221 X(o=0.022,f=-0.23) USER MOD Single : A 1 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-1.1) USER MOD Single : A 7 MET CE :methyl -172:sc= -0.0928 (180deg=-0.273) USER MOD Single : A 9 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.4) USER MOD Single : A -4 GLY N :NH3+ -122:sc= 0.131 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.17) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0.925 (180deg=0.327) USER MOD Single : A 36 SER OG : rot -143:sc= 0.299 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00905 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 53 SER OG : rot 94:sc= 1.24 USER MOD Single : A 54 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 61 THR OG1 : rot 138:sc= 0.492 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00848 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -37:sc= 0.958 USER MOD Single : A 83 TYR OH : rot -97:sc= -0.811 USER MOD Single : A 85 GLN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.045) USER MOD Single : A 92 SER OG : rot 120:sc= 1.1 USER MOD Single : A 99 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.76) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 0.646 -28.769 -0.755 1.00 5.43 N ATOM 2 CA GLY A -4 -0.289 -27.955 -1.567 1.00 4.83 C ATOM 3 C GLY A -4 0.282 -26.589 -1.871 1.00 4.18 C ATOM 4 O GLY A -4 1.424 -26.298 -1.505 1.00 4.27 O ATOM 0 H1 GLY A -4 0.868 -29.650 -1.261 1.00 5.43 H new ATOM 0 H2 GLY A -4 1.522 -28.233 -0.593 1.00 5.43 H new ATOM 0 H3 GLY A -4 0.205 -28.996 0.159 1.00 5.43 H new ATOM 0 HA2 GLY A -4 -0.508 -28.474 -2.500 1.00 4.83 H new ATOM 0 HA3 GLY A -4 -1.233 -27.845 -1.034 1.00 4.83 H new ATOM 8 N ILE A -3 -0.499 -25.752 -2.541 1.00 3.81 N ATOM 9 CA ILE A -3 -0.061 -24.407 -2.880 1.00 3.35 C ATOM 10 C ILE A -3 0.047 -23.544 -1.628 1.00 2.96 C ATOM 11 O ILE A -3 -0.768 -23.656 -0.710 1.00 3.17 O ATOM 12 CB ILE A -3 -1.010 -23.729 -3.895 1.00 3.71 C ATOM 13 CG1 ILE A -3 -2.448 -23.698 -3.361 1.00 4.15 C ATOM 14 CG2 ILE A -3 -0.948 -24.451 -5.234 1.00 4.12 C ATOM 15 CD1 ILE A -3 -3.423 -22.978 -4.269 1.00 4.76 C ATOM 0 H ILE A -3 -1.440 -25.982 -2.860 1.00 3.81 H new ATOM 0 HA ILE A -3 0.921 -24.500 -3.343 1.00 3.35 H new ATOM 0 HB ILE A -3 -0.684 -22.699 -4.039 1.00 3.71 H new ATOM 0 HG12 ILE A -3 -2.792 -24.721 -3.213 1.00 4.15 H new ATOM 0 HG13 ILE A -3 -2.452 -23.215 -2.384 1.00 4.15 H new ATOM 0 HG21 ILE A -3 -1.620 -23.965 -5.941 1.00 4.12 H new ATOM 0 HG22 ILE A -3 0.071 -24.416 -5.619 1.00 4.12 H new ATOM 0 HG23 ILE A -3 -1.250 -25.490 -5.102 1.00 4.12 H new ATOM 0 HD11 ILE A -3 -4.418 -22.998 -3.824 1.00 4.76 H new ATOM 0 HD12 ILE A -3 -3.104 -21.944 -4.398 1.00 4.76 H new ATOM 0 HD13 ILE A -3 -3.450 -23.473 -5.240 1.00 4.76 H new ATOM 27 N ASP A -2 1.061 -22.698 -1.589 1.00 2.59 N ATOM 28 CA ASP A -2 1.297 -21.847 -0.433 1.00 2.41 C ATOM 29 C ASP A -2 0.901 -20.407 -0.735 1.00 2.20 C ATOM 30 O ASP A -2 1.569 -19.723 -1.510 1.00 2.05 O ATOM 31 CB ASP A -2 2.766 -21.907 -0.020 1.00 2.39 C ATOM 32 CG ASP A -2 3.053 -21.053 1.194 1.00 2.94 C ATOM 33 OD1 ASP A -2 3.583 -19.938 1.026 1.00 3.18 O ATOM 34 OD2 ASP A -2 2.740 -21.489 2.321 1.00 3.49 O ATOM 0 H ASP A -2 1.736 -22.581 -2.345 1.00 2.59 H new ATOM 0 HA ASP A -2 0.682 -22.212 0.390 1.00 2.41 H new ATOM 0 HB2 ASP A -2 3.040 -22.940 0.192 1.00 2.39 H new ATOM 0 HB3 ASP A -2 3.389 -21.576 -0.851 1.00 2.39 H new ATOM 39 N PRO A -1 -0.190 -19.926 -0.125 1.00 2.29 N ATOM 40 CA PRO A -1 -0.702 -18.577 -0.377 1.00 2.22 C ATOM 41 C PRO A -1 0.210 -17.490 0.187 1.00 2.13 C ATOM 42 O PRO A -1 0.162 -16.341 -0.248 1.00 2.08 O ATOM 43 CB PRO A -1 -2.055 -18.567 0.338 1.00 2.52 C ATOM 44 CG PRO A -1 -1.933 -19.600 1.403 1.00 2.79 C ATOM 45 CD PRO A -1 -1.016 -20.659 0.856 1.00 2.58 C ATOM 0 HA PRO A -1 -0.768 -18.363 -1.444 1.00 2.22 H new ATOM 0 HB2 PRO A -1 -2.271 -17.586 0.762 1.00 2.52 H new ATOM 0 HB3 PRO A -1 -2.867 -18.803 -0.350 1.00 2.52 H new ATOM 0 HG2 PRO A -1 -1.528 -19.169 2.319 1.00 2.79 H new ATOM 0 HG3 PRO A -1 -2.908 -20.020 1.652 1.00 2.79 H new ATOM 0 HD2 PRO A -1 -0.405 -21.106 1.641 1.00 2.58 H new ATOM 0 HD3 PRO A -1 -1.574 -21.469 0.386 1.00 2.58 H new ATOM 53 N PHE A 0 1.053 -17.867 1.139 1.00 2.17 N ATOM 54 CA PHE A 0 1.918 -16.914 1.823 1.00 2.18 C ATOM 55 C PHE A 0 3.035 -16.433 0.904 1.00 1.96 C ATOM 56 O PHE A 0 3.277 -15.233 0.783 1.00 1.91 O ATOM 57 CB PHE A 0 2.507 -17.547 3.086 1.00 2.38 C ATOM 58 CG PHE A 0 1.465 -18.042 4.046 1.00 2.96 C ATOM 59 CD1 PHE A 0 0.835 -17.169 4.917 1.00 3.20 C ATOM 60 CD2 PHE A 0 1.119 -19.382 4.080 1.00 3.61 C ATOM 61 CE1 PHE A 0 -0.120 -17.623 5.806 1.00 4.02 C ATOM 62 CE2 PHE A 0 0.165 -19.842 4.967 1.00 4.56 C ATOM 63 CZ PHE A 0 -0.473 -18.957 5.814 1.00 4.74 C ATOM 0 H PHE A 0 1.157 -18.831 1.457 1.00 2.17 H new ATOM 0 HA PHE A 0 1.316 -16.051 2.107 1.00 2.18 H new ATOM 0 HB2 PHE A 0 3.151 -18.378 2.800 1.00 2.38 H new ATOM 0 HB3 PHE A 0 3.137 -16.814 3.591 1.00 2.38 H new ATOM 0 HD1 PHE A 0 1.093 -16.120 4.901 1.00 3.20 H new ATOM 0 HD2 PHE A 0 1.600 -20.075 3.406 1.00 3.61 H new ATOM 0 HE1 PHE A 0 -0.590 -16.935 6.494 1.00 4.02 H new ATOM 0 HE2 PHE A 0 -0.082 -20.893 4.998 1.00 4.56 H new ATOM 0 HZ PHE A 0 -1.246 -19.308 6.481 1.00 4.74 H new ATOM 73 N THR A 1 3.712 -17.370 0.257 1.00 1.91 N ATOM 74 CA THR A 1 4.776 -17.030 -0.674 1.00 1.79 C ATOM 75 C THR A 1 4.222 -16.322 -1.908 1.00 1.62 C ATOM 76 O THR A 1 4.853 -15.410 -2.440 1.00 1.47 O ATOM 77 CB THR A 1 5.582 -18.273 -1.094 1.00 1.96 C ATOM 78 OG1 THR A 1 4.702 -19.386 -1.301 1.00 2.16 O ATOM 79 CG2 THR A 1 6.621 -18.627 -0.041 1.00 2.63 C ATOM 0 H THR A 1 3.543 -18.371 0.360 1.00 1.91 H new ATOM 0 HA THR A 1 5.450 -16.349 -0.154 1.00 1.79 H new ATOM 0 HB THR A 1 6.098 -18.044 -2.026 1.00 1.96 H new ATOM 0 HG1 THR A 1 4.518 -19.822 -0.443 1.00 2.16 H new ATOM 0 HG21 THR A 1 7.177 -19.508 -0.361 1.00 2.63 H new ATOM 0 HG22 THR A 1 7.308 -17.791 0.087 1.00 2.63 H new ATOM 0 HG23 THR A 1 6.123 -18.836 0.906 1.00 2.63 H new ATOM 87 N LEU A 2 3.033 -16.727 -2.348 1.00 1.68 N ATOM 88 CA LEU A 2 2.360 -16.045 -3.450 1.00 1.59 C ATOM 89 C LEU A 2 2.044 -14.608 -3.049 1.00 1.41 C ATOM 90 O LEU A 2 2.191 -13.677 -3.841 1.00 1.32 O ATOM 91 CB LEU A 2 1.069 -16.772 -3.836 1.00 1.75 C ATOM 92 CG LEU A 2 1.241 -18.226 -4.284 1.00 2.06 C ATOM 93 CD1 LEU A 2 -0.112 -18.861 -4.567 1.00 2.35 C ATOM 94 CD2 LEU A 2 2.132 -18.307 -5.514 1.00 2.49 C ATOM 0 H LEU A 2 2.519 -17.519 -1.961 1.00 1.68 H new ATOM 0 HA LEU A 2 3.025 -16.045 -4.314 1.00 1.59 H new ATOM 0 HB2 LEU A 2 0.391 -16.751 -2.983 1.00 1.75 H new ATOM 0 HB3 LEU A 2 0.586 -16.217 -4.640 1.00 1.75 H new ATOM 0 HG LEU A 2 1.720 -18.778 -3.475 1.00 2.06 H new ATOM 0 HD11 LEU A 2 0.030 -19.894 -4.884 1.00 2.35 H new ATOM 0 HD12 LEU A 2 -0.720 -18.839 -3.663 1.00 2.35 H new ATOM 0 HD13 LEU A 2 -0.617 -18.305 -5.357 1.00 2.35 H new ATOM 0 HD21 LEU A 2 2.241 -19.349 -5.816 1.00 2.49 H new ATOM 0 HD22 LEU A 2 1.681 -17.739 -6.328 1.00 2.49 H new ATOM 0 HD23 LEU A 2 3.113 -17.892 -5.281 1.00 2.49 H new ATOM 106 N ASN A 3 1.619 -14.439 -1.802 1.00 1.39 N ATOM 107 CA ASN A 3 1.378 -13.116 -1.241 1.00 1.27 C ATOM 108 C ASN A 3 2.671 -12.313 -1.215 1.00 1.13 C ATOM 109 O ASN A 3 2.674 -11.116 -1.486 1.00 1.04 O ATOM 110 CB ASN A 3 0.804 -13.236 0.174 1.00 1.35 C ATOM 111 CG ASN A 3 0.550 -11.888 0.825 1.00 1.93 C ATOM 112 OD1 ASN A 3 1.424 -11.327 1.488 1.00 2.67 O ATOM 113 ND2 ASN A 3 -0.655 -11.367 0.655 1.00 2.35 N ATOM 0 H ASN A 3 1.433 -15.207 -1.157 1.00 1.39 H new ATOM 0 HA ASN A 3 0.654 -12.597 -1.870 1.00 1.27 H new ATOM 0 HB2 ASN A 3 -0.130 -13.797 0.135 1.00 1.35 H new ATOM 0 HB3 ASN A 3 1.494 -13.809 0.793 1.00 1.35 H new ATOM 0 HD21 ASN A 3 -0.887 -10.470 1.080 1.00 2.35 H new ATOM 0 HD22 ASN A 3 -1.351 -11.863 0.099 1.00 2.35 H new ATOM 120 N HIS A 4 3.770 -12.991 -0.903 1.00 1.17 N ATOM 121 CA HIS A 4 5.086 -12.363 -0.858 1.00 1.10 C ATOM 122 C HIS A 4 5.483 -11.847 -2.239 1.00 1.02 C ATOM 123 O HIS A 4 6.118 -10.799 -2.358 1.00 0.91 O ATOM 124 CB HIS A 4 6.130 -13.362 -0.342 1.00 1.25 C ATOM 125 CG HIS A 4 7.491 -12.771 -0.132 1.00 1.70 C ATOM 126 ND1 HIS A 4 8.523 -12.923 -1.029 1.00 2.30 N ATOM 127 CD2 HIS A 4 7.989 -12.033 0.889 1.00 2.32 C ATOM 128 CE1 HIS A 4 9.596 -12.305 -0.574 1.00 2.94 C ATOM 129 NE2 HIS A 4 9.301 -11.756 0.590 1.00 2.93 N ATOM 0 H HIS A 4 3.775 -13.985 -0.675 1.00 1.17 H new ATOM 0 HA HIS A 4 5.042 -11.515 -0.175 1.00 1.10 H new ATOM 0 HB2 HIS A 4 5.779 -13.783 0.600 1.00 1.25 H new ATOM 0 HB3 HIS A 4 6.209 -14.187 -1.050 1.00 1.25 H new ATOM 0 HD2 HIS A 4 7.454 -11.720 1.774 1.00 2.32 H new ATOM 0 HE1 HIS A 4 10.554 -12.256 -1.070 1.00 2.94 H new ATOM 0 HE2 HIS A 4 9.942 -11.215 1.171 1.00 2.93 H new ATOM 138 N GLN A 5 5.101 -12.586 -3.275 1.00 1.10 N ATOM 139 CA GLN A 5 5.357 -12.174 -4.651 1.00 1.08 C ATOM 140 C GLN A 5 4.609 -10.880 -4.959 1.00 0.94 C ATOM 141 O GLN A 5 5.195 -9.910 -5.439 1.00 0.87 O ATOM 142 CB GLN A 5 4.923 -13.274 -5.624 1.00 1.25 C ATOM 143 CG GLN A 5 5.621 -14.604 -5.388 1.00 1.87 C ATOM 144 CD GLN A 5 5.087 -15.714 -6.272 1.00 2.11 C ATOM 145 OE1 GLN A 5 3.922 -15.708 -6.667 1.00 2.47 O ATOM 146 NE2 GLN A 5 5.932 -16.686 -6.574 1.00 2.67 N ATOM 0 H GLN A 5 4.611 -13.476 -3.188 1.00 1.10 H new ATOM 0 HA GLN A 5 6.427 -12.002 -4.770 1.00 1.08 H new ATOM 0 HB2 GLN A 5 3.846 -13.418 -5.540 1.00 1.25 H new ATOM 0 HB3 GLN A 5 5.122 -12.945 -6.644 1.00 1.25 H new ATOM 0 HG2 GLN A 5 6.689 -14.485 -5.568 1.00 1.87 H new ATOM 0 HG3 GLN A 5 5.504 -14.890 -4.343 1.00 1.87 H new ATOM 0 HE21 GLN A 5 6.891 -16.655 -6.227 1.00 2.67 H new ATOM 0 HE22 GLN A 5 5.625 -17.467 -7.154 1.00 2.67 H new ATOM 155 N VAL A 6 3.315 -10.871 -4.658 1.00 0.96 N ATOM 156 CA VAL A 6 2.485 -9.685 -4.847 1.00 0.91 C ATOM 157 C VAL A 6 2.987 -8.537 -3.973 1.00 0.76 C ATOM 158 O VAL A 6 2.965 -7.371 -4.376 1.00 0.70 O ATOM 159 CB VAL A 6 1.007 -9.978 -4.510 1.00 1.07 C ATOM 160 CG1 VAL A 6 0.140 -8.749 -4.738 1.00 1.30 C ATOM 161 CG2 VAL A 6 0.494 -11.152 -5.330 1.00 1.59 C ATOM 0 H VAL A 6 2.815 -11.676 -4.280 1.00 0.96 H new ATOM 0 HA VAL A 6 2.554 -9.399 -5.897 1.00 0.91 H new ATOM 0 HB VAL A 6 0.949 -10.241 -3.454 1.00 1.07 H new ATOM 0 HG11 VAL A 6 -0.896 -8.984 -4.493 1.00 1.30 H new ATOM 0 HG12 VAL A 6 0.488 -7.935 -4.102 1.00 1.30 H new ATOM 0 HG13 VAL A 6 0.206 -8.446 -5.783 1.00 1.30 H new ATOM 0 HG21 VAL A 6 -0.549 -11.343 -5.079 1.00 1.59 H new ATOM 0 HG22 VAL A 6 0.574 -10.917 -6.391 1.00 1.59 H new ATOM 0 HG23 VAL A 6 1.089 -12.038 -5.109 1.00 1.59 H new ATOM 171 N MET A 7 3.450 -8.882 -2.778 1.00 0.75 N ATOM 172 CA MET A 7 3.981 -7.904 -1.840 1.00 0.65 C ATOM 173 C MET A 7 5.230 -7.230 -2.406 1.00 0.59 C ATOM 174 O MET A 7 5.451 -6.037 -2.208 1.00 0.56 O ATOM 175 CB MET A 7 4.306 -8.564 -0.499 1.00 0.70 C ATOM 176 CG MET A 7 4.817 -7.581 0.536 1.00 0.65 C ATOM 177 SD MET A 7 3.637 -6.263 0.868 1.00 0.67 S ATOM 178 CE MET A 7 4.677 -5.113 1.754 1.00 0.64 C ATOM 0 H MET A 7 3.468 -9.842 -2.434 1.00 0.75 H new ATOM 0 HA MET A 7 3.217 -7.143 -1.681 1.00 0.65 H new ATOM 0 HB2 MET A 7 3.411 -9.055 -0.116 1.00 0.70 H new ATOM 0 HB3 MET A 7 5.054 -9.341 -0.655 1.00 0.70 H new ATOM 0 HG2 MET A 7 5.035 -8.113 1.462 1.00 0.65 H new ATOM 0 HG3 MET A 7 5.755 -7.147 0.190 1.00 0.65 H new ATOM 0 HE1 MET A 7 4.066 -4.305 2.156 1.00 0.64 H new ATOM 0 HE2 MET A 7 5.177 -5.631 2.572 1.00 0.64 H new ATOM 0 HE3 MET A 7 5.424 -4.700 1.075 1.00 0.64 H new ATOM 188 N ASP A 8 6.042 -7.999 -3.113 1.00 0.63 N ATOM 189 CA ASP A 8 7.230 -7.455 -3.758 1.00 0.61 C ATOM 190 C ASP A 8 6.828 -6.482 -4.861 1.00 0.54 C ATOM 191 O ASP A 8 7.454 -5.438 -5.047 1.00 0.50 O ATOM 192 CB ASP A 8 8.086 -8.581 -4.336 1.00 0.74 C ATOM 193 CG ASP A 8 9.302 -8.066 -5.077 1.00 0.99 C ATOM 194 OD1 ASP A 8 9.276 -8.040 -6.326 1.00 1.15 O ATOM 195 OD2 ASP A 8 10.291 -7.693 -4.415 1.00 1.36 O ATOM 0 H ASP A 8 5.903 -8.999 -3.256 1.00 0.63 H new ATOM 0 HA ASP A 8 7.817 -6.920 -3.012 1.00 0.61 H new ATOM 0 HB2 ASP A 8 8.409 -9.238 -3.529 1.00 0.74 H new ATOM 0 HB3 ASP A 8 7.480 -9.182 -5.014 1.00 0.74 H new ATOM 200 N GLN A 9 5.757 -6.824 -5.567 1.00 0.57 N ATOM 201 CA GLN A 9 5.245 -5.996 -6.652 1.00 0.54 C ATOM 202 C GLN A 9 4.763 -4.644 -6.133 1.00 0.45 C ATOM 203 O GLN A 9 5.080 -3.601 -6.709 1.00 0.43 O ATOM 204 CB GLN A 9 4.100 -6.712 -7.366 1.00 0.65 C ATOM 205 CG GLN A 9 4.494 -8.060 -7.940 1.00 1.34 C ATOM 206 CD GLN A 9 3.313 -8.812 -8.517 1.00 1.93 C ATOM 207 OE1 GLN A 9 2.180 -8.647 -8.069 1.00 2.45 O ATOM 208 NE2 GLN A 9 3.571 -9.644 -9.512 1.00 2.62 N ATOM 0 H GLN A 9 5.222 -7.677 -5.405 1.00 0.57 H new ATOM 0 HA GLN A 9 6.059 -5.824 -7.356 1.00 0.54 H new ATOM 0 HB2 GLN A 9 3.276 -6.851 -6.666 1.00 0.65 H new ATOM 0 HB3 GLN A 9 3.731 -6.077 -8.171 1.00 0.65 H new ATOM 0 HG2 GLN A 9 5.244 -7.915 -8.718 1.00 1.34 H new ATOM 0 HG3 GLN A 9 4.958 -8.662 -7.159 1.00 1.34 H new ATOM 0 HE21 GLN A 9 4.526 -9.750 -9.853 1.00 2.62 H new ATOM 0 HE22 GLN A 9 2.815 -10.179 -9.938 1.00 2.62 H new ATOM 217 N VAL A 10 3.996 -4.658 -5.047 1.00 0.46 N ATOM 218 CA VAL A 10 3.487 -3.418 -4.472 1.00 0.44 C ATOM 219 C VAL A 10 4.619 -2.626 -3.818 1.00 0.37 C ATOM 220 O VAL A 10 4.645 -1.396 -3.890 1.00 0.39 O ATOM 221 CB VAL A 10 2.337 -3.667 -3.460 1.00 0.52 C ATOM 222 CG1 VAL A 10 2.792 -4.532 -2.300 1.00 1.25 C ATOM 223 CG2 VAL A 10 1.767 -2.352 -2.949 1.00 1.39 C ATOM 0 H VAL A 10 3.716 -5.505 -4.552 1.00 0.46 H new ATOM 0 HA VAL A 10 3.071 -2.830 -5.290 1.00 0.44 H new ATOM 0 HB VAL A 10 1.550 -4.204 -3.990 1.00 0.52 H new ATOM 0 HG11 VAL A 10 1.960 -4.685 -1.612 1.00 1.25 H new ATOM 0 HG12 VAL A 10 3.133 -5.496 -2.677 1.00 1.25 H new ATOM 0 HG13 VAL A 10 3.610 -4.037 -1.776 1.00 1.25 H new ATOM 0 HG21 VAL A 10 0.963 -2.554 -2.242 1.00 1.39 H new ATOM 0 HG22 VAL A 10 2.553 -1.783 -2.452 1.00 1.39 H new ATOM 0 HG23 VAL A 10 1.376 -1.775 -3.787 1.00 1.39 H new ATOM 233 N PHE A 11 5.576 -3.329 -3.215 1.00 0.35 N ATOM 234 CA PHE A 11 6.729 -2.672 -2.615 1.00 0.35 C ATOM 235 C PHE A 11 7.544 -1.951 -3.681 1.00 0.31 C ATOM 236 O PHE A 11 7.962 -0.814 -3.486 1.00 0.33 O ATOM 237 CB PHE A 11 7.618 -3.667 -1.864 1.00 0.41 C ATOM 238 CG PHE A 11 8.883 -3.039 -1.343 1.00 0.45 C ATOM 239 CD1 PHE A 11 8.834 -2.045 -0.381 1.00 0.56 C ATOM 240 CD2 PHE A 11 10.121 -3.459 -1.805 1.00 0.48 C ATOM 241 CE1 PHE A 11 9.996 -1.482 0.110 1.00 0.65 C ATOM 242 CE2 PHE A 11 11.285 -2.898 -1.318 1.00 0.56 C ATOM 243 CZ PHE A 11 11.212 -1.851 -0.405 1.00 0.64 C ATOM 0 H PHE A 11 5.574 -4.346 -3.131 1.00 0.35 H new ATOM 0 HA PHE A 11 6.354 -1.945 -1.895 1.00 0.35 H new ATOM 0 HB2 PHE A 11 7.058 -4.091 -1.031 1.00 0.41 H new ATOM 0 HB3 PHE A 11 7.874 -4.492 -2.528 1.00 0.41 H new ATOM 0 HD1 PHE A 11 7.878 -1.706 -0.011 1.00 0.56 H new ATOM 0 HD2 PHE A 11 10.176 -4.234 -2.555 1.00 0.48 H new ATOM 0 HE1 PHE A 11 9.947 -0.749 0.902 1.00 0.65 H new ATOM 0 HE2 PHE A 11 12.245 -3.270 -1.644 1.00 0.56 H new ATOM 0 HZ PHE A 11 12.109 -1.331 -0.103 1.00 0.64 H new ATOM 253 N ASP A 12 7.751 -2.616 -4.810 1.00 0.31 N ATOM 254 CA ASP A 12 8.486 -2.031 -5.929 1.00 0.31 C ATOM 255 C ASP A 12 7.869 -0.704 -6.351 1.00 0.29 C ATOM 256 O ASP A 12 8.574 0.238 -6.718 1.00 0.31 O ATOM 257 CB ASP A 12 8.497 -2.995 -7.117 1.00 0.38 C ATOM 258 CG ASP A 12 9.167 -2.404 -8.341 1.00 0.45 C ATOM 259 OD1 ASP A 12 8.495 -2.271 -9.390 1.00 0.53 O ATOM 260 OD2 ASP A 12 10.366 -2.065 -8.264 1.00 0.55 O ATOM 0 H ASP A 12 7.419 -3.566 -4.978 1.00 0.31 H new ATOM 0 HA ASP A 12 9.510 -1.850 -5.602 1.00 0.31 H new ATOM 0 HB2 ASP A 12 9.013 -3.912 -6.832 1.00 0.38 H new ATOM 0 HB3 ASP A 12 7.472 -3.271 -7.366 1.00 0.38 H new ATOM 265 N GLN A 13 6.551 -0.629 -6.279 1.00 0.30 N ATOM 266 CA GLN A 13 5.842 0.565 -6.692 1.00 0.34 C ATOM 267 C GLN A 13 5.944 1.658 -5.631 1.00 0.34 C ATOM 268 O GLN A 13 6.226 2.811 -5.955 1.00 0.38 O ATOM 269 CB GLN A 13 4.384 0.235 -7.002 1.00 0.44 C ATOM 270 CG GLN A 13 3.614 1.393 -7.613 1.00 0.55 C ATOM 271 CD GLN A 13 2.519 0.920 -8.542 1.00 0.67 C ATOM 272 OE1 GLN A 13 1.386 0.693 -8.125 1.00 1.37 O ATOM 273 NE2 GLN A 13 2.854 0.759 -9.811 1.00 1.30 N ATOM 0 H GLN A 13 5.953 -1.381 -5.938 1.00 0.30 H new ATOM 0 HA GLN A 13 6.309 0.945 -7.601 1.00 0.34 H new ATOM 0 HB2 GLN A 13 4.350 -0.614 -7.685 1.00 0.44 H new ATOM 0 HB3 GLN A 13 3.887 -0.076 -6.083 1.00 0.44 H new ATOM 0 HG2 GLN A 13 3.178 1.998 -6.818 1.00 0.55 H new ATOM 0 HG3 GLN A 13 4.302 2.036 -8.162 1.00 0.55 H new ATOM 0 HE21 GLN A 13 3.806 0.959 -10.116 1.00 1.30 H new ATOM 0 HE22 GLN A 13 2.160 0.435 -10.485 1.00 1.30 H new ATOM 282 N VAL A 14 5.744 1.297 -4.364 1.00 0.34 N ATOM 283 CA VAL A 14 5.835 2.279 -3.284 1.00 0.38 C ATOM 284 C VAL A 14 7.269 2.792 -3.153 1.00 0.37 C ATOM 285 O VAL A 14 7.487 3.959 -2.842 1.00 0.42 O ATOM 286 CB VAL A 14 5.340 1.729 -1.920 1.00 0.44 C ATOM 287 CG1 VAL A 14 3.946 1.142 -2.051 1.00 1.08 C ATOM 288 CG2 VAL A 14 6.300 0.702 -1.341 1.00 0.99 C ATOM 0 H VAL A 14 5.522 0.348 -4.063 1.00 0.34 H new ATOM 0 HA VAL A 14 5.172 3.101 -3.553 1.00 0.38 H new ATOM 0 HB VAL A 14 5.302 2.569 -1.226 1.00 0.44 H new ATOM 0 HG11 VAL A 14 3.619 0.762 -1.083 1.00 1.08 H new ATOM 0 HG12 VAL A 14 3.256 1.915 -2.390 1.00 1.08 H new ATOM 0 HG13 VAL A 14 3.961 0.327 -2.774 1.00 1.08 H new ATOM 0 HG21 VAL A 14 5.916 0.343 -0.386 1.00 0.99 H new ATOM 0 HG22 VAL A 14 6.397 -0.136 -2.032 1.00 0.99 H new ATOM 0 HG23 VAL A 14 7.277 1.162 -1.189 1.00 0.99 H new ATOM 298 N GLU A 15 8.236 1.915 -3.422 1.00 0.35 N ATOM 299 CA GLU A 15 9.646 2.288 -3.434 1.00 0.40 C ATOM 300 C GLU A 15 9.881 3.383 -4.467 1.00 0.40 C ATOM 301 O GLU A 15 10.545 4.385 -4.195 1.00 0.45 O ATOM 302 CB GLU A 15 10.510 1.067 -3.765 1.00 0.42 C ATOM 303 CG GLU A 15 11.999 1.366 -3.853 1.00 0.57 C ATOM 304 CD GLU A 15 12.798 0.197 -4.388 1.00 0.68 C ATOM 305 OE1 GLU A 15 12.813 -0.013 -5.617 1.00 1.09 O ATOM 306 OE2 GLU A 15 13.414 -0.529 -3.577 1.00 0.77 O ATOM 0 H GLU A 15 8.063 0.933 -3.636 1.00 0.35 H new ATOM 0 HA GLU A 15 9.923 2.660 -2.448 1.00 0.40 H new ATOM 0 HB2 GLU A 15 10.348 0.303 -3.004 1.00 0.42 H new ATOM 0 HB3 GLU A 15 10.178 0.647 -4.714 1.00 0.42 H new ATOM 0 HG2 GLU A 15 12.154 2.232 -4.496 1.00 0.57 H new ATOM 0 HG3 GLU A 15 12.371 1.633 -2.864 1.00 0.57 H new ATOM 313 N HIS A 16 9.311 3.183 -5.648 1.00 0.37 N ATOM 314 CA HIS A 16 9.418 4.152 -6.728 1.00 0.42 C ATOM 315 C HIS A 16 8.772 5.474 -6.323 1.00 0.41 C ATOM 316 O HIS A 16 9.309 6.544 -6.607 1.00 0.45 O ATOM 317 CB HIS A 16 8.759 3.601 -7.998 1.00 0.49 C ATOM 318 CG HIS A 16 8.866 4.509 -9.185 1.00 0.95 C ATOM 319 ND1 HIS A 16 7.771 5.075 -9.800 1.00 1.72 N ATOM 320 CD2 HIS A 16 9.946 4.938 -9.881 1.00 1.53 C ATOM 321 CE1 HIS A 16 8.172 5.811 -10.819 1.00 2.01 C ATOM 322 NE2 HIS A 16 9.487 5.744 -10.889 1.00 1.84 N ATOM 0 H HIS A 16 8.767 2.353 -5.882 1.00 0.37 H new ATOM 0 HA HIS A 16 10.473 4.333 -6.932 1.00 0.42 H new ATOM 0 HB2 HIS A 16 9.215 2.642 -8.245 1.00 0.49 H new ATOM 0 HB3 HIS A 16 7.706 3.409 -7.794 1.00 0.49 H new ATOM 0 HD2 HIS A 16 10.978 4.690 -9.679 1.00 1.53 H new ATOM 0 HE1 HIS A 16 7.532 6.373 -11.483 1.00 2.01 H new ATOM 0 HE2 HIS A 16 10.068 6.216 -11.582 1.00 1.84 H new ATOM 331 N GLN A 17 7.629 5.391 -5.648 1.00 0.38 N ATOM 332 CA GLN A 17 6.913 6.582 -5.200 1.00 0.40 C ATOM 333 C GLN A 17 7.714 7.330 -4.138 1.00 0.38 C ATOM 334 O GLN A 17 7.767 8.559 -4.145 1.00 0.43 O ATOM 335 CB GLN A 17 5.527 6.217 -4.660 1.00 0.45 C ATOM 336 CG GLN A 17 4.643 5.511 -5.678 1.00 0.70 C ATOM 337 CD GLN A 17 4.472 6.303 -6.962 1.00 0.71 C ATOM 338 OE1 GLN A 17 5.263 6.169 -7.897 1.00 1.54 O ATOM 339 NE2 GLN A 17 3.435 7.123 -7.021 1.00 1.12 N ATOM 0 H GLN A 17 7.178 4.511 -5.399 1.00 0.38 H new ATOM 0 HA GLN A 17 6.785 7.237 -6.062 1.00 0.40 H new ATOM 0 HB2 GLN A 17 5.644 5.576 -3.786 1.00 0.45 H new ATOM 0 HB3 GLN A 17 5.026 7.125 -4.324 1.00 0.45 H new ATOM 0 HG2 GLN A 17 5.073 4.537 -5.912 1.00 0.70 H new ATOM 0 HG3 GLN A 17 3.663 5.329 -5.236 1.00 0.70 H new ATOM 0 HE21 GLN A 17 2.803 7.205 -6.224 1.00 1.12 H new ATOM 0 HE22 GLN A 17 3.267 7.673 -7.863 1.00 1.12 H new ATOM 348 N ILE A 18 8.343 6.582 -3.234 1.00 0.35 N ATOM 349 CA ILE A 18 9.229 7.171 -2.234 1.00 0.37 C ATOM 350 C ILE A 18 10.356 7.930 -2.924 1.00 0.39 C ATOM 351 O ILE A 18 10.670 9.068 -2.568 1.00 0.42 O ATOM 352 CB ILE A 18 9.824 6.094 -1.295 1.00 0.38 C ATOM 353 CG1 ILE A 18 8.717 5.457 -0.448 1.00 0.41 C ATOM 354 CG2 ILE A 18 10.904 6.691 -0.399 1.00 0.44 C ATOM 355 CD1 ILE A 18 9.196 4.321 0.431 1.00 0.45 C ATOM 0 H ILE A 18 8.255 5.568 -3.174 1.00 0.35 H new ATOM 0 HA ILE A 18 8.638 7.858 -1.628 1.00 0.37 H new ATOM 0 HB ILE A 18 10.283 5.320 -1.910 1.00 0.38 H new ATOM 0 HG12 ILE A 18 8.266 6.225 0.181 1.00 0.41 H new ATOM 0 HG13 ILE A 18 7.934 5.087 -1.110 1.00 0.41 H new ATOM 0 HG21 ILE A 18 11.307 5.915 0.252 1.00 0.44 H new ATOM 0 HG22 ILE A 18 11.705 7.099 -1.016 1.00 0.44 H new ATOM 0 HG23 ILE A 18 10.474 7.487 0.209 1.00 0.44 H new ATOM 0 HD11 ILE A 18 8.356 3.922 1.000 1.00 0.45 H new ATOM 0 HD12 ILE A 18 9.620 3.533 -0.192 1.00 0.45 H new ATOM 0 HD13 ILE A 18 9.957 4.689 1.119 1.00 0.45 H new ATOM 367 N ALA A 19 10.935 7.299 -3.937 1.00 0.40 N ATOM 368 CA ALA A 19 12.011 7.901 -4.709 1.00 0.45 C ATOM 369 C ALA A 19 11.541 9.164 -5.428 1.00 0.47 C ATOM 370 O ALA A 19 12.325 10.087 -5.653 1.00 0.51 O ATOM 371 CB ALA A 19 12.563 6.896 -5.707 1.00 0.50 C ATOM 0 H ALA A 19 10.674 6.362 -4.244 1.00 0.40 H new ATOM 0 HA ALA A 19 12.804 8.188 -4.018 1.00 0.45 H new ATOM 0 HB1 ALA A 19 13.368 7.357 -6.280 1.00 0.50 H new ATOM 0 HB2 ALA A 19 12.949 6.027 -5.173 1.00 0.50 H new ATOM 0 HB3 ALA A 19 11.769 6.582 -6.385 1.00 0.50 H new ATOM 377 N GLN A 20 10.261 9.208 -5.784 1.00 0.46 N ATOM 378 CA GLN A 20 9.696 10.380 -6.444 1.00 0.51 C ATOM 379 C GLN A 20 9.642 11.559 -5.477 1.00 0.50 C ATOM 380 O GLN A 20 9.925 12.696 -5.853 1.00 0.55 O ATOM 381 CB GLN A 20 8.293 10.092 -6.991 1.00 0.59 C ATOM 382 CG GLN A 20 8.239 8.972 -8.023 1.00 1.19 C ATOM 383 CD GLN A 20 9.232 9.159 -9.153 1.00 1.65 C ATOM 384 OE1 GLN A 20 8.935 9.803 -10.158 1.00 2.35 O ATOM 385 NE2 GLN A 20 10.413 8.581 -9.005 1.00 2.26 N ATOM 0 H GLN A 20 9.598 8.449 -5.627 1.00 0.46 H new ATOM 0 HA GLN A 20 10.344 10.631 -7.283 1.00 0.51 H new ATOM 0 HB2 GLN A 20 7.637 9.835 -6.159 1.00 0.59 H new ATOM 0 HB3 GLN A 20 7.897 11.003 -7.440 1.00 0.59 H new ATOM 0 HG2 GLN A 20 8.434 8.020 -7.529 1.00 1.19 H new ATOM 0 HG3 GLN A 20 7.232 8.915 -8.437 1.00 1.19 H new ATOM 0 HE21 GLN A 20 10.621 8.055 -8.156 1.00 2.26 H new ATOM 0 HE22 GLN A 20 11.116 8.661 -9.740 1.00 2.26 H new ATOM 394 N VAL A 21 9.289 11.277 -4.227 1.00 0.48 N ATOM 395 CA VAL A 21 9.241 12.307 -3.196 1.00 0.54 C ATOM 396 C VAL A 21 10.648 12.811 -2.887 1.00 0.57 C ATOM 397 O VAL A 21 10.872 14.014 -2.749 1.00 0.66 O ATOM 398 CB VAL A 21 8.578 11.786 -1.901 1.00 0.60 C ATOM 399 CG1 VAL A 21 8.536 12.873 -0.836 1.00 0.69 C ATOM 400 CG2 VAL A 21 7.174 11.270 -2.190 1.00 0.63 C ATOM 0 H VAL A 21 9.032 10.344 -3.904 1.00 0.48 H new ATOM 0 HA VAL A 21 8.636 13.128 -3.580 1.00 0.54 H new ATOM 0 HB VAL A 21 9.180 10.961 -1.521 1.00 0.60 H new ATOM 0 HG11 VAL A 21 8.065 12.481 0.065 1.00 0.69 H new ATOM 0 HG12 VAL A 21 9.551 13.195 -0.604 1.00 0.69 H new ATOM 0 HG13 VAL A 21 7.962 13.723 -1.206 1.00 0.69 H new ATOM 0 HG21 VAL A 21 6.722 10.907 -1.267 1.00 0.63 H new ATOM 0 HG22 VAL A 21 6.566 12.078 -2.598 1.00 0.63 H new ATOM 0 HG23 VAL A 21 7.227 10.455 -2.912 1.00 0.63 H new ATOM 410 N LEU A 22 11.594 11.882 -2.801 1.00 0.54 N ATOM 411 CA LEU A 22 12.994 12.229 -2.571 1.00 0.61 C ATOM 412 C LEU A 22 13.517 13.108 -3.703 1.00 0.61 C ATOM 413 O LEU A 22 14.227 14.090 -3.469 1.00 0.68 O ATOM 414 CB LEU A 22 13.847 10.963 -2.457 1.00 0.66 C ATOM 415 CG LEU A 22 13.442 9.997 -1.342 1.00 0.84 C ATOM 416 CD1 LEU A 22 14.292 8.739 -1.397 1.00 1.67 C ATOM 417 CD2 LEU A 22 13.570 10.663 0.020 1.00 1.08 C ATOM 0 H LEU A 22 11.418 10.881 -2.887 1.00 0.54 H new ATOM 0 HA LEU A 22 13.060 12.783 -1.635 1.00 0.61 H new ATOM 0 HB2 LEU A 22 13.807 10.431 -3.408 1.00 0.66 H new ATOM 0 HB3 LEU A 22 14.885 11.257 -2.300 1.00 0.66 H new ATOM 0 HG LEU A 22 12.398 9.720 -1.491 1.00 0.84 H new ATOM 0 HD11 LEU A 22 13.992 8.062 -0.597 1.00 1.67 H new ATOM 0 HD12 LEU A 22 14.153 8.248 -2.360 1.00 1.67 H new ATOM 0 HD13 LEU A 22 15.342 9.004 -1.273 1.00 1.67 H new ATOM 0 HD21 LEU A 22 13.277 9.959 0.798 1.00 1.08 H new ATOM 0 HD22 LEU A 22 14.604 10.970 0.179 1.00 1.08 H new ATOM 0 HD23 LEU A 22 12.921 11.538 0.060 1.00 1.08 H new ATOM 429 N GLY A 23 13.142 12.754 -4.929 1.00 0.61 N ATOM 430 CA GLY A 23 13.535 13.531 -6.089 1.00 0.73 C ATOM 431 C GLY A 23 12.894 14.903 -6.100 1.00 0.81 C ATOM 432 O GLY A 23 13.515 15.882 -6.512 1.00 0.94 O ATOM 0 H GLY A 23 12.569 11.937 -5.139 1.00 0.61 H new ATOM 0 HA2 GLY A 23 14.620 13.638 -6.102 1.00 0.73 H new ATOM 0 HA3 GLY A 23 13.256 12.994 -6.996 1.00 0.73 H new ATOM 436 N ALA A 24 11.650 14.973 -5.634 1.00 0.80 N ATOM 437 CA ALA A 24 10.927 16.236 -5.552 1.00 0.96 C ATOM 438 C ALA A 24 11.600 17.180 -4.563 1.00 1.01 C ATOM 439 O ALA A 24 11.583 18.397 -4.741 1.00 1.19 O ATOM 440 CB ALA A 24 9.477 15.999 -5.154 1.00 1.00 C ATOM 0 H ALA A 24 11.121 14.165 -5.306 1.00 0.80 H new ATOM 0 HA ALA A 24 10.944 16.701 -6.538 1.00 0.96 H new ATOM 0 HB1 ALA A 24 8.954 16.954 -5.098 1.00 1.00 H new ATOM 0 HB2 ALA A 24 8.995 15.364 -5.897 1.00 1.00 H new ATOM 0 HB3 ALA A 24 9.442 15.509 -4.181 1.00 1.00 H new ATOM 446 N LYS A 25 12.196 16.613 -3.523 1.00 0.92 N ATOM 447 CA LYS A 25 12.936 17.400 -2.545 1.00 1.04 C ATOM 448 C LYS A 25 14.300 17.787 -3.099 1.00 1.06 C ATOM 449 O LYS A 25 14.919 18.757 -2.655 1.00 1.18 O ATOM 450 CB LYS A 25 13.121 16.618 -1.241 1.00 1.07 C ATOM 451 CG LYS A 25 11.821 16.225 -0.558 1.00 1.46 C ATOM 452 CD LYS A 25 10.998 17.442 -0.177 1.00 1.98 C ATOM 453 CE LYS A 25 9.812 17.056 0.686 1.00 2.56 C ATOM 454 NZ LYS A 25 10.243 16.456 1.974 1.00 3.21 N ATOM 0 H LYS A 25 12.182 15.611 -3.334 1.00 0.92 H new ATOM 0 HA LYS A 25 12.360 18.302 -2.337 1.00 1.04 H new ATOM 0 HB2 LYS A 25 13.695 15.715 -1.451 1.00 1.07 H new ATOM 0 HB3 LYS A 25 13.713 17.219 -0.551 1.00 1.07 H new ATOM 0 HG2 LYS A 25 11.240 15.586 -1.222 1.00 1.46 H new ATOM 0 HG3 LYS A 25 12.041 15.640 0.335 1.00 1.46 H new ATOM 0 HD2 LYS A 25 11.625 18.154 0.360 1.00 1.98 H new ATOM 0 HD3 LYS A 25 10.647 17.943 -1.079 1.00 1.98 H new ATOM 0 HE2 LYS A 25 9.202 17.938 0.881 1.00 2.56 H new ATOM 0 HE3 LYS A 25 9.184 16.347 0.146 1.00 2.56 H new ATOM 0 HZ1 LYS A 25 9.449 16.470 2.646 1.00 3.21 H new ATOM 0 HZ2 LYS A 25 10.545 15.474 1.815 1.00 3.21 H new ATOM 0 HZ3 LYS A 25 11.036 17.004 2.364 1.00 3.21 H new ATOM 468 N GLY A 26 14.754 17.016 -4.080 1.00 1.00 N ATOM 469 CA GLY A 26 16.060 17.231 -4.659 1.00 1.09 C ATOM 470 C GLY A 26 17.162 16.771 -3.731 1.00 1.08 C ATOM 471 O GLY A 26 18.306 17.208 -3.847 1.00 1.22 O ATOM 0 H GLY A 26 14.232 16.239 -4.486 1.00 1.00 H new ATOM 0 HA2 GLY A 26 16.132 16.694 -5.605 1.00 1.09 H new ATOM 0 HA3 GLY A 26 16.190 18.290 -4.883 1.00 1.09 H new ATOM 475 N GLY A 27 16.816 15.873 -2.818 1.00 0.99 N ATOM 476 CA GLY A 27 17.755 15.449 -1.804 1.00 1.09 C ATOM 477 C GLY A 27 18.475 14.168 -2.170 1.00 1.07 C ATOM 478 O GLY A 27 18.205 13.579 -3.218 1.00 1.10 O ATOM 0 H GLY A 27 15.898 15.431 -2.764 1.00 0.99 H new ATOM 0 HA2 GLY A 27 18.488 16.239 -1.641 1.00 1.09 H new ATOM 0 HA3 GLY A 27 17.226 15.306 -0.862 1.00 1.09 H new ATOM 482 N PRO A 28 19.404 13.719 -1.316 1.00 1.17 N ATOM 483 CA PRO A 28 20.167 12.489 -1.536 1.00 1.26 C ATOM 484 C PRO A 28 19.301 11.242 -1.366 1.00 1.05 C ATOM 485 O PRO A 28 18.382 11.219 -0.543 1.00 0.97 O ATOM 486 CB PRO A 28 21.257 12.530 -0.452 1.00 1.49 C ATOM 487 CG PRO A 28 21.199 13.903 0.132 1.00 1.64 C ATOM 488 CD PRO A 28 19.788 14.373 -0.060 1.00 1.36 C ATOM 0 HA PRO A 28 20.565 12.436 -2.549 1.00 1.26 H new ATOM 0 HB2 PRO A 28 21.078 11.773 0.311 1.00 1.49 H new ATOM 0 HB3 PRO A 28 22.240 12.327 -0.878 1.00 1.49 H new ATOM 0 HG2 PRO A 28 21.466 13.889 1.189 1.00 1.64 H new ATOM 0 HG3 PRO A 28 21.904 14.569 -0.366 1.00 1.64 H new ATOM 0 HD2 PRO A 28 19.144 14.073 0.767 1.00 1.36 H new ATOM 0 HD3 PRO A 28 19.728 15.459 -0.133 1.00 1.36 H new ATOM 496 N LEU A 29 19.597 10.214 -2.151 1.00 1.10 N ATOM 497 CA LEU A 29 18.858 8.962 -2.089 1.00 1.03 C ATOM 498 C LEU A 29 19.156 8.234 -0.783 1.00 0.95 C ATOM 499 O LEU A 29 20.309 8.138 -0.364 1.00 1.15 O ATOM 500 CB LEU A 29 19.221 8.069 -3.279 1.00 1.31 C ATOM 501 CG LEU A 29 18.450 6.749 -3.370 1.00 1.88 C ATOM 502 CD1 LEU A 29 16.965 7.003 -3.581 1.00 2.51 C ATOM 503 CD2 LEU A 29 19.007 5.887 -4.491 1.00 2.28 C ATOM 0 H LEU A 29 20.348 10.224 -2.841 1.00 1.10 H new ATOM 0 HA LEU A 29 17.793 9.189 -2.131 1.00 1.03 H new ATOM 0 HB2 LEU A 29 19.054 8.631 -4.198 1.00 1.31 H new ATOM 0 HB3 LEU A 29 20.287 7.845 -3.231 1.00 1.31 H new ATOM 0 HG LEU A 29 18.573 6.216 -2.427 1.00 1.88 H new ATOM 0 HD11 LEU A 29 16.438 6.051 -3.643 1.00 2.51 H new ATOM 0 HD12 LEU A 29 16.572 7.582 -2.745 1.00 2.51 H new ATOM 0 HD13 LEU A 29 16.819 7.559 -4.507 1.00 2.51 H new ATOM 0 HD21 LEU A 29 18.449 4.952 -4.543 1.00 2.28 H new ATOM 0 HD22 LEU A 29 18.915 6.418 -5.438 1.00 2.28 H new ATOM 0 HD23 LEU A 29 20.058 5.672 -4.297 1.00 2.28 H new ATOM 515 N VAL A 30 18.110 7.741 -0.143 1.00 0.79 N ATOM 516 CA VAL A 30 18.243 7.014 1.110 1.00 0.80 C ATOM 517 C VAL A 30 18.201 5.510 0.862 1.00 0.73 C ATOM 518 O VAL A 30 17.924 5.068 -0.254 1.00 0.75 O ATOM 519 CB VAL A 30 17.116 7.393 2.094 1.00 0.94 C ATOM 520 CG1 VAL A 30 17.184 8.869 2.448 1.00 1.34 C ATOM 521 CG2 VAL A 30 15.755 7.043 1.511 1.00 1.18 C ATOM 0 H VAL A 30 17.149 7.832 -0.474 1.00 0.79 H new ATOM 0 HA VAL A 30 19.204 7.287 1.547 1.00 0.80 H new ATOM 0 HB VAL A 30 17.255 6.817 3.009 1.00 0.94 H new ATOM 0 HG11 VAL A 30 16.380 9.114 3.143 1.00 1.34 H new ATOM 0 HG12 VAL A 30 18.145 9.088 2.913 1.00 1.34 H new ATOM 0 HG13 VAL A 30 17.075 9.466 1.542 1.00 1.34 H new ATOM 0 HG21 VAL A 30 14.974 7.318 2.220 1.00 1.18 H new ATOM 0 HG22 VAL A 30 15.607 7.588 0.579 1.00 1.18 H new ATOM 0 HG23 VAL A 30 15.707 5.972 1.316 1.00 1.18 H new ATOM 531 N ALA A 31 18.480 4.733 1.900 1.00 0.80 N ATOM 532 CA ALA A 31 18.413 3.282 1.810 1.00 0.79 C ATOM 533 C ALA A 31 17.019 2.807 2.197 1.00 0.65 C ATOM 534 O ALA A 31 16.652 2.821 3.374 1.00 0.73 O ATOM 535 CB ALA A 31 19.465 2.644 2.704 1.00 0.98 C ATOM 0 H ALA A 31 18.756 5.085 2.817 1.00 0.80 H new ATOM 0 HA ALA A 31 18.615 2.980 0.782 1.00 0.79 H new ATOM 0 HB1 ALA A 31 19.401 1.559 2.624 1.00 0.98 H new ATOM 0 HB2 ALA A 31 20.456 2.973 2.391 1.00 0.98 H new ATOM 0 HB3 ALA A 31 19.293 2.943 3.738 1.00 0.98 H new ATOM 541 N VAL A 32 16.242 2.394 1.208 1.00 0.55 N ATOM 542 CA VAL A 32 14.847 2.051 1.436 1.00 0.49 C ATOM 543 C VAL A 32 14.606 0.541 1.371 1.00 0.36 C ATOM 544 O VAL A 32 14.748 -0.087 0.322 1.00 0.44 O ATOM 545 CB VAL A 32 13.916 2.786 0.435 1.00 0.65 C ATOM 546 CG1 VAL A 32 14.393 2.609 -1.000 1.00 1.12 C ATOM 547 CG2 VAL A 32 12.476 2.313 0.580 1.00 1.31 C ATOM 0 H VAL A 32 16.552 2.288 0.242 1.00 0.55 H new ATOM 0 HA VAL A 32 14.606 2.383 2.446 1.00 0.49 H new ATOM 0 HB VAL A 32 13.954 3.849 0.674 1.00 0.65 H new ATOM 0 HG11 VAL A 32 13.719 3.136 -1.675 1.00 1.12 H new ATOM 0 HG12 VAL A 32 15.399 3.015 -1.102 1.00 1.12 H new ATOM 0 HG13 VAL A 32 14.403 1.549 -1.252 1.00 1.12 H new ATOM 0 HG21 VAL A 32 11.845 2.844 -0.133 1.00 1.31 H new ATOM 0 HG22 VAL A 32 12.423 1.242 0.384 1.00 1.31 H new ATOM 0 HG23 VAL A 32 12.127 2.514 1.593 1.00 1.31 H new ATOM 557 N GLU A 33 14.275 -0.036 2.517 1.00 0.37 N ATOM 558 CA GLU A 33 13.802 -1.407 2.579 1.00 0.44 C ATOM 559 C GLU A 33 12.345 -1.407 3.006 1.00 0.42 C ATOM 560 O GLU A 33 11.799 -0.360 3.351 1.00 0.46 O ATOM 561 CB GLU A 33 14.614 -2.241 3.574 1.00 0.64 C ATOM 562 CG GLU A 33 16.074 -2.416 3.204 1.00 0.73 C ATOM 563 CD GLU A 33 16.810 -3.266 4.216 1.00 1.23 C ATOM 564 OE1 GLU A 33 16.867 -4.500 4.033 1.00 1.28 O ATOM 565 OE2 GLU A 33 17.351 -2.705 5.193 1.00 2.05 O ATOM 0 H GLU A 33 14.327 0.431 3.423 1.00 0.37 H new ATOM 0 HA GLU A 33 13.917 -1.852 1.591 1.00 0.44 H new ATOM 0 HB2 GLU A 33 14.555 -1.771 4.556 1.00 0.64 H new ATOM 0 HB3 GLU A 33 14.155 -3.225 3.664 1.00 0.64 H new ATOM 0 HG2 GLU A 33 16.147 -2.878 2.219 1.00 0.73 H new ATOM 0 HG3 GLU A 33 16.551 -1.439 3.134 1.00 0.73 H new ATOM 572 N ILE A 34 11.720 -2.569 3.010 1.00 0.44 N ATOM 573 CA ILE A 34 10.343 -2.674 3.460 1.00 0.45 C ATOM 574 C ILE A 34 10.271 -2.507 4.980 1.00 0.36 C ATOM 575 O ILE A 34 9.271 -2.044 5.529 1.00 0.41 O ATOM 576 CB ILE A 34 9.715 -4.026 3.039 1.00 0.58 C ATOM 577 CG1 ILE A 34 8.220 -4.057 3.357 1.00 0.65 C ATOM 578 CG2 ILE A 34 10.422 -5.189 3.721 1.00 0.63 C ATOM 579 CD1 ILE A 34 7.424 -3.001 2.623 1.00 0.70 C ATOM 0 H ILE A 34 12.139 -3.449 2.709 1.00 0.44 H new ATOM 0 HA ILE A 34 9.771 -1.876 2.986 1.00 0.45 H new ATOM 0 HB ILE A 34 9.841 -4.129 1.961 1.00 0.58 H new ATOM 0 HG12 ILE A 34 7.823 -5.040 3.104 1.00 0.65 H new ATOM 0 HG13 ILE A 34 8.082 -3.924 4.430 1.00 0.65 H new ATOM 0 HG21 ILE A 34 9.963 -6.127 3.409 1.00 0.63 H new ATOM 0 HG22 ILE A 34 11.475 -5.190 3.440 1.00 0.63 H new ATOM 0 HG23 ILE A 34 10.335 -5.084 4.802 1.00 0.63 H new ATOM 0 HD11 ILE A 34 6.372 -3.082 2.897 1.00 0.70 H new ATOM 0 HD12 ILE A 34 7.794 -2.012 2.894 1.00 0.70 H new ATOM 0 HD13 ILE A 34 7.531 -3.146 1.548 1.00 0.70 H new ATOM 591 N ASP A 35 11.365 -2.842 5.648 1.00 0.37 N ATOM 592 CA ASP A 35 11.407 -2.839 7.103 1.00 0.39 C ATOM 593 C ASP A 35 11.998 -1.532 7.632 1.00 0.38 C ATOM 594 O ASP A 35 12.143 -1.339 8.840 1.00 0.50 O ATOM 595 CB ASP A 35 12.226 -4.040 7.582 1.00 0.54 C ATOM 596 CG ASP A 35 12.220 -4.208 9.087 1.00 1.44 C ATOM 597 OD1 ASP A 35 11.132 -4.422 9.658 1.00 2.03 O ATOM 598 OD2 ASP A 35 13.303 -4.120 9.707 1.00 2.28 O ATOM 0 H ASP A 35 12.240 -3.121 5.203 1.00 0.37 H new ATOM 0 HA ASP A 35 10.391 -2.917 7.491 1.00 0.39 H new ATOM 0 HB2 ASP A 35 11.833 -4.946 7.121 1.00 0.54 H new ATOM 0 HB3 ASP A 35 13.255 -3.929 7.240 1.00 0.54 H new ATOM 603 N SER A 36 12.315 -0.625 6.721 1.00 0.38 N ATOM 604 CA SER A 36 12.905 0.652 7.091 1.00 0.43 C ATOM 605 C SER A 36 11.857 1.591 7.683 1.00 0.32 C ATOM 606 O SER A 36 10.698 1.595 7.258 1.00 0.32 O ATOM 607 CB SER A 36 13.546 1.303 5.868 1.00 0.56 C ATOM 608 OG SER A 36 14.480 0.432 5.257 1.00 1.17 O ATOM 0 H SER A 36 12.173 -0.750 5.719 1.00 0.38 H new ATOM 0 HA SER A 36 13.667 0.467 7.848 1.00 0.43 H new ATOM 0 HB2 SER A 36 12.773 1.574 5.149 1.00 0.56 H new ATOM 0 HB3 SER A 36 14.044 2.226 6.163 1.00 0.56 H new ATOM 0 HG SER A 36 15.242 0.951 4.925 1.00 1.17 H new ATOM 614 N ARG A 37 12.265 2.368 8.678 1.00 0.35 N ATOM 615 CA ARG A 37 11.415 3.406 9.238 1.00 0.36 C ATOM 616 C ARG A 37 11.650 4.702 8.479 1.00 0.37 C ATOM 617 O ARG A 37 12.784 5.033 8.138 1.00 0.43 O ATOM 618 CB ARG A 37 11.705 3.606 10.728 1.00 0.46 C ATOM 619 CG ARG A 37 11.382 2.392 11.580 1.00 0.52 C ATOM 620 CD ARG A 37 11.676 2.648 13.046 1.00 0.82 C ATOM 621 NE ARG A 37 11.360 1.487 13.878 1.00 1.56 N ATOM 622 CZ ARG A 37 11.712 1.367 15.156 1.00 2.14 C ATOM 623 NH1 ARG A 37 12.373 2.348 15.760 1.00 2.14 N ATOM 624 NH2 ARG A 37 11.394 0.268 15.829 1.00 3.15 N ATOM 0 H ARG A 37 13.184 2.297 9.114 1.00 0.35 H new ATOM 0 HA ARG A 37 10.372 3.104 9.138 1.00 0.36 H new ATOM 0 HB2 ARG A 37 12.758 3.857 10.854 1.00 0.46 H new ATOM 0 HB3 ARG A 37 11.129 4.457 11.090 1.00 0.46 H new ATOM 0 HG2 ARG A 37 10.331 2.130 11.459 1.00 0.52 H new ATOM 0 HG3 ARG A 37 11.965 1.538 11.235 1.00 0.52 H new ATOM 0 HD2 ARG A 37 12.729 2.904 13.166 1.00 0.82 H new ATOM 0 HD3 ARG A 37 11.098 3.507 13.387 1.00 0.82 H new ATOM 0 HE ARG A 37 10.837 0.722 13.452 1.00 1.56 H new ATOM 0 HH11 ARG A 37 12.612 3.195 15.244 1.00 2.14 H new ATOM 0 HH12 ARG A 37 12.642 2.254 16.739 1.00 2.14 H new ATOM 0 HH21 ARG A 37 10.881 -0.483 15.367 1.00 3.15 H new ATOM 0 HH22 ARG A 37 11.663 0.174 16.808 1.00 3.15 H new ATOM 638 N PHE A 38 10.575 5.435 8.228 1.00 0.37 N ATOM 639 CA PHE A 38 10.624 6.613 7.366 1.00 0.40 C ATOM 640 C PHE A 38 11.495 7.725 7.946 1.00 0.44 C ATOM 641 O PHE A 38 11.898 8.638 7.228 1.00 0.50 O ATOM 642 CB PHE A 38 9.211 7.127 7.094 1.00 0.41 C ATOM 643 CG PHE A 38 8.426 6.237 6.170 1.00 0.39 C ATOM 644 CD1 PHE A 38 7.560 5.285 6.681 1.00 0.40 C ATOM 645 CD2 PHE A 38 8.550 6.350 4.795 1.00 0.48 C ATOM 646 CE1 PHE A 38 6.836 4.462 5.843 1.00 0.45 C ATOM 647 CE2 PHE A 38 7.828 5.531 3.951 1.00 0.54 C ATOM 648 CZ PHE A 38 6.978 4.601 4.451 1.00 0.50 C ATOM 0 H PHE A 38 9.651 5.235 8.611 1.00 0.37 H new ATOM 0 HA PHE A 38 11.084 6.307 6.426 1.00 0.40 H new ATOM 0 HB2 PHE A 38 8.677 7.220 8.039 1.00 0.41 H new ATOM 0 HB3 PHE A 38 9.271 8.126 6.662 1.00 0.41 H new ATOM 0 HD1 PHE A 38 7.450 5.185 7.751 1.00 0.40 H new ATOM 0 HD2 PHE A 38 9.220 7.088 4.379 1.00 0.48 H new ATOM 0 HE1 PHE A 38 6.167 3.719 6.252 1.00 0.45 H new ATOM 0 HE2 PHE A 38 7.941 5.632 2.882 1.00 0.54 H new ATOM 0 HZ PHE A 38 6.412 3.969 3.783 1.00 0.50 H new ATOM 658 N SER A 39 11.791 7.643 9.236 1.00 0.52 N ATOM 659 CA SER A 39 12.690 8.592 9.875 1.00 0.63 C ATOM 660 C SER A 39 14.094 8.445 9.296 1.00 0.56 C ATOM 661 O SER A 39 14.816 9.426 9.123 1.00 0.56 O ATOM 662 CB SER A 39 12.711 8.369 11.392 1.00 0.83 C ATOM 663 OG SER A 39 13.535 9.322 12.044 1.00 1.63 O ATOM 0 H SER A 39 11.420 6.927 9.861 1.00 0.52 H new ATOM 0 HA SER A 39 12.332 9.603 9.682 1.00 0.63 H new ATOM 0 HB2 SER A 39 11.696 8.434 11.785 1.00 0.83 H new ATOM 0 HB3 SER A 39 13.073 7.364 11.609 1.00 0.83 H new ATOM 0 HG SER A 39 13.527 9.155 13.010 1.00 1.63 H new ATOM 669 N ASP A 40 14.458 7.211 8.964 1.00 0.61 N ATOM 670 CA ASP A 40 15.767 6.917 8.395 1.00 0.66 C ATOM 671 C ASP A 40 15.786 7.264 6.913 1.00 0.62 C ATOM 672 O ASP A 40 16.842 7.311 6.281 1.00 0.72 O ATOM 673 CB ASP A 40 16.113 5.435 8.587 1.00 0.83 C ATOM 674 CG ASP A 40 16.161 5.027 10.047 1.00 1.35 C ATOM 675 OD1 ASP A 40 15.093 4.734 10.627 1.00 2.20 O ATOM 676 OD2 ASP A 40 17.266 4.990 10.625 1.00 1.62 O ATOM 0 H ASP A 40 13.859 6.393 9.081 1.00 0.61 H new ATOM 0 HA ASP A 40 16.512 7.522 8.912 1.00 0.66 H new ATOM 0 HB2 ASP A 40 15.375 4.824 8.068 1.00 0.83 H new ATOM 0 HB3 ASP A 40 17.079 5.229 8.125 1.00 0.83 H new ATOM 681 N LEU A 41 14.602 7.508 6.366 1.00 0.58 N ATOM 682 CA LEU A 41 14.455 7.852 4.956 1.00 0.64 C ATOM 683 C LEU A 41 14.263 9.355 4.783 1.00 0.61 C ATOM 684 O LEU A 41 14.082 9.842 3.670 1.00 0.75 O ATOM 685 CB LEU A 41 13.269 7.100 4.333 1.00 0.71 C ATOM 686 CG LEU A 41 13.532 5.642 3.927 1.00 0.76 C ATOM 687 CD1 LEU A 41 13.909 4.788 5.124 1.00 1.44 C ATOM 688 CD2 LEU A 41 12.313 5.063 3.230 1.00 1.39 C ATOM 0 H LEU A 41 13.723 7.474 6.882 1.00 0.58 H new ATOM 0 HA LEU A 41 15.369 7.554 4.443 1.00 0.64 H new ATOM 0 HB2 LEU A 41 12.442 7.115 5.043 1.00 0.71 H new ATOM 0 HB3 LEU A 41 12.941 7.648 3.450 1.00 0.71 H new ATOM 0 HG LEU A 41 14.375 5.636 3.236 1.00 0.76 H new ATOM 0 HD11 LEU A 41 14.088 3.763 4.798 1.00 1.44 H new ATOM 0 HD12 LEU A 41 14.814 5.185 5.584 1.00 1.44 H new ATOM 0 HD13 LEU A 41 13.097 4.801 5.851 1.00 1.44 H new ATOM 0 HD21 LEU A 41 12.512 4.029 2.947 1.00 1.39 H new ATOM 0 HD22 LEU A 41 11.458 5.096 3.905 1.00 1.39 H new ATOM 0 HD23 LEU A 41 12.093 5.647 2.337 1.00 1.39 H new ATOM 700 N GLY A 42 14.301 10.082 5.895 1.00 0.52 N ATOM 701 CA GLY A 42 14.145 11.524 5.848 1.00 0.56 C ATOM 702 C GLY A 42 12.732 11.945 5.496 1.00 0.47 C ATOM 703 O GLY A 42 12.523 12.981 4.865 1.00 0.51 O ATOM 0 H GLY A 42 14.437 9.697 6.830 1.00 0.52 H new ATOM 0 HA2 GLY A 42 14.416 11.947 6.815 1.00 0.56 H new ATOM 0 HA3 GLY A 42 14.837 11.937 5.114 1.00 0.56 H new ATOM 707 N LEU A 43 11.762 11.139 5.896 1.00 0.45 N ATOM 708 CA LEU A 43 10.364 11.426 5.623 1.00 0.40 C ATOM 709 C LEU A 43 9.582 11.575 6.926 1.00 0.41 C ATOM 710 O LEU A 43 9.518 10.647 7.736 1.00 0.53 O ATOM 711 CB LEU A 43 9.767 10.312 4.760 1.00 0.40 C ATOM 712 CG LEU A 43 10.353 10.208 3.348 1.00 0.51 C ATOM 713 CD1 LEU A 43 9.974 8.887 2.707 1.00 1.05 C ATOM 714 CD2 LEU A 43 9.873 11.365 2.486 1.00 1.09 C ATOM 0 H LEU A 43 11.919 10.275 6.415 1.00 0.45 H new ATOM 0 HA LEU A 43 10.296 12.368 5.080 1.00 0.40 H new ATOM 0 HB2 LEU A 43 9.913 9.360 5.270 1.00 0.40 H new ATOM 0 HB3 LEU A 43 8.691 10.470 4.681 1.00 0.40 H new ATOM 0 HG LEU A 43 11.439 10.257 3.426 1.00 0.51 H new ATOM 0 HD11 LEU A 43 10.400 8.833 1.705 1.00 1.05 H new ATOM 0 HD12 LEU A 43 10.361 8.066 3.310 1.00 1.05 H new ATOM 0 HD13 LEU A 43 8.888 8.811 2.644 1.00 1.05 H new ATOM 0 HD21 LEU A 43 10.299 11.275 1.487 1.00 1.09 H new ATOM 0 HD22 LEU A 43 8.785 11.343 2.420 1.00 1.09 H new ATOM 0 HD23 LEU A 43 10.190 12.307 2.932 1.00 1.09 H new ATOM 726 N SER A 44 9.004 12.749 7.127 1.00 0.45 N ATOM 727 CA SER A 44 8.258 13.043 8.340 1.00 0.54 C ATOM 728 C SER A 44 6.760 12.818 8.113 1.00 0.50 C ATOM 729 O SER A 44 6.358 12.334 7.055 1.00 0.42 O ATOM 730 CB SER A 44 8.534 14.490 8.771 1.00 0.67 C ATOM 731 OG SER A 44 7.914 14.799 10.007 1.00 1.66 O ATOM 0 H SER A 44 9.038 13.519 6.459 1.00 0.45 H new ATOM 0 HA SER A 44 8.581 12.371 9.135 1.00 0.54 H new ATOM 0 HB2 SER A 44 9.610 14.645 8.855 1.00 0.67 H new ATOM 0 HB3 SER A 44 8.173 15.173 8.002 1.00 0.67 H new ATOM 0 HG SER A 44 8.113 15.727 10.250 1.00 1.66 H new ATOM 737 N SER A 45 5.943 13.176 9.097 1.00 0.62 N ATOM 738 CA SER A 45 4.499 12.974 9.020 1.00 0.65 C ATOM 739 C SER A 45 3.913 13.701 7.807 1.00 0.52 C ATOM 740 O SER A 45 3.064 13.162 7.092 1.00 0.51 O ATOM 741 CB SER A 45 3.835 13.465 10.311 1.00 0.84 C ATOM 742 OG SER A 45 2.446 13.180 10.324 1.00 1.55 O ATOM 0 H SER A 45 6.258 13.611 9.964 1.00 0.62 H new ATOM 0 HA SER A 45 4.302 11.908 8.903 1.00 0.65 H new ATOM 0 HB2 SER A 45 4.312 12.992 11.169 1.00 0.84 H new ATOM 0 HB3 SER A 45 3.988 14.539 10.414 1.00 0.84 H new ATOM 0 HG SER A 45 2.053 13.505 11.161 1.00 1.55 H new ATOM 748 N LEU A 46 4.391 14.918 7.569 1.00 0.52 N ATOM 749 CA LEU A 46 3.935 15.718 6.435 1.00 0.50 C ATOM 750 C LEU A 46 4.328 15.056 5.122 1.00 0.44 C ATOM 751 O LEU A 46 3.559 15.035 4.159 1.00 0.48 O ATOM 752 CB LEU A 46 4.523 17.135 6.489 1.00 0.65 C ATOM 753 CG LEU A 46 3.963 18.058 7.580 1.00 1.51 C ATOM 754 CD1 LEU A 46 2.445 18.117 7.503 1.00 2.22 C ATOM 755 CD2 LEU A 46 4.421 17.618 8.964 1.00 2.00 C ATOM 0 H LEU A 46 5.096 15.374 8.148 1.00 0.52 H new ATOM 0 HA LEU A 46 2.849 15.786 6.493 1.00 0.50 H new ATOM 0 HB2 LEU A 46 5.601 17.054 6.628 1.00 0.65 H new ATOM 0 HB3 LEU A 46 4.362 17.610 5.521 1.00 0.65 H new ATOM 0 HG LEU A 46 4.354 19.060 7.406 1.00 1.51 H new ATOM 0 HD11 LEU A 46 2.066 18.776 8.284 1.00 2.22 H new ATOM 0 HD12 LEU A 46 2.145 18.500 6.528 1.00 2.22 H new ATOM 0 HD13 LEU A 46 2.035 17.117 7.642 1.00 2.22 H new ATOM 0 HD21 LEU A 46 4.008 18.291 9.715 1.00 2.00 H new ATOM 0 HD22 LEU A 46 4.074 16.603 9.157 1.00 2.00 H new ATOM 0 HD23 LEU A 46 5.510 17.644 9.012 1.00 2.00 H new ATOM 767 N ASP A 47 5.527 14.499 5.096 1.00 0.42 N ATOM 768 CA ASP A 47 6.034 13.841 3.905 1.00 0.41 C ATOM 769 C ASP A 47 5.291 12.539 3.678 1.00 0.36 C ATOM 770 O ASP A 47 5.028 12.156 2.543 1.00 0.38 O ATOM 771 CB ASP A 47 7.530 13.572 4.028 1.00 0.50 C ATOM 772 CG ASP A 47 8.311 14.821 4.356 1.00 0.75 C ATOM 773 OD1 ASP A 47 8.318 15.753 3.527 1.00 0.89 O ATOM 774 OD2 ASP A 47 8.937 14.871 5.430 1.00 1.11 O ATOM 0 H ASP A 47 6.169 14.490 5.889 1.00 0.42 H new ATOM 0 HA ASP A 47 5.873 14.501 3.053 1.00 0.41 H new ATOM 0 HB2 ASP A 47 7.700 12.825 4.804 1.00 0.50 H new ATOM 0 HB3 ASP A 47 7.899 13.150 3.093 1.00 0.50 H new ATOM 779 N LEU A 48 4.951 11.868 4.771 1.00 0.39 N ATOM 780 CA LEU A 48 4.157 10.651 4.709 1.00 0.46 C ATOM 781 C LEU A 48 2.799 10.924 4.088 1.00 0.47 C ATOM 782 O LEU A 48 2.390 10.226 3.169 1.00 0.51 O ATOM 783 CB LEU A 48 3.982 10.043 6.101 1.00 0.56 C ATOM 784 CG LEU A 48 5.169 9.224 6.603 1.00 0.74 C ATOM 785 CD1 LEU A 48 4.957 8.812 8.052 1.00 1.35 C ATOM 786 CD2 LEU A 48 5.360 7.998 5.724 1.00 1.42 C ATOM 0 H LEU A 48 5.215 12.149 5.715 1.00 0.39 H new ATOM 0 HA LEU A 48 4.691 9.937 4.082 1.00 0.46 H new ATOM 0 HB2 LEU A 48 3.789 10.848 6.811 1.00 0.56 H new ATOM 0 HB3 LEU A 48 3.098 9.406 6.094 1.00 0.56 H new ATOM 0 HG LEU A 48 6.068 9.838 6.551 1.00 0.74 H new ATOM 0 HD11 LEU A 48 5.812 8.229 8.393 1.00 1.35 H new ATOM 0 HD12 LEU A 48 4.854 9.702 8.672 1.00 1.35 H new ATOM 0 HD13 LEU A 48 4.053 8.209 8.130 1.00 1.35 H new ATOM 0 HD21 LEU A 48 6.208 7.418 6.088 1.00 1.42 H new ATOM 0 HD22 LEU A 48 4.460 7.384 5.756 1.00 1.42 H new ATOM 0 HD23 LEU A 48 5.549 8.312 4.697 1.00 1.42 H new ATOM 798 N ALA A 49 2.112 11.950 4.580 1.00 0.47 N ATOM 799 CA ALA A 49 0.812 12.330 4.036 1.00 0.55 C ATOM 800 C ALA A 49 0.917 12.607 2.539 1.00 0.50 C ATOM 801 O ALA A 49 0.034 12.247 1.758 1.00 0.55 O ATOM 802 CB ALA A 49 0.270 13.550 4.766 1.00 0.63 C ATOM 0 H ALA A 49 2.433 12.533 5.353 1.00 0.47 H new ATOM 0 HA ALA A 49 0.120 11.501 4.183 1.00 0.55 H new ATOM 0 HB1 ALA A 49 -0.700 13.822 4.350 1.00 0.63 H new ATOM 0 HB2 ALA A 49 0.159 13.320 5.826 1.00 0.63 H new ATOM 0 HB3 ALA A 49 0.963 14.383 4.646 1.00 0.63 H new ATOM 808 N THR A 50 2.019 13.229 2.148 1.00 0.45 N ATOM 809 CA THR A 50 2.290 13.509 0.750 1.00 0.45 C ATOM 810 C THR A 50 2.575 12.213 -0.020 1.00 0.39 C ATOM 811 O THR A 50 2.060 12.001 -1.121 1.00 0.40 O ATOM 812 CB THR A 50 3.487 14.471 0.621 1.00 0.51 C ATOM 813 OG1 THR A 50 3.278 15.616 1.460 1.00 0.58 O ATOM 814 CG2 THR A 50 3.677 14.926 -0.816 1.00 0.60 C ATOM 0 H THR A 50 2.745 13.551 2.788 1.00 0.45 H new ATOM 0 HA THR A 50 1.406 13.980 0.320 1.00 0.45 H new ATOM 0 HB THR A 50 4.385 13.938 0.933 1.00 0.51 H new ATOM 0 HG1 THR A 50 3.433 15.369 2.395 1.00 0.58 H new ATOM 0 HG21 THR A 50 4.529 15.603 -0.874 1.00 0.60 H new ATOM 0 HG22 THR A 50 3.859 14.059 -1.451 1.00 0.60 H new ATOM 0 HG23 THR A 50 2.779 15.442 -1.156 1.00 0.60 H new ATOM 822 N LEU A 51 3.379 11.342 0.577 1.00 0.35 N ATOM 823 CA LEU A 51 3.729 10.061 -0.026 1.00 0.34 C ATOM 824 C LEU A 51 2.496 9.179 -0.196 1.00 0.35 C ATOM 825 O LEU A 51 2.291 8.577 -1.250 1.00 0.40 O ATOM 826 CB LEU A 51 4.767 9.343 0.840 1.00 0.35 C ATOM 827 CG LEU A 51 5.151 7.936 0.377 1.00 0.39 C ATOM 828 CD1 LEU A 51 5.817 7.982 -0.988 1.00 0.44 C ATOM 829 CD2 LEU A 51 6.063 7.275 1.396 1.00 0.43 C ATOM 0 H LEU A 51 3.806 11.502 1.489 1.00 0.35 H new ATOM 0 HA LEU A 51 4.150 10.253 -1.013 1.00 0.34 H new ATOM 0 HB2 LEU A 51 5.669 9.954 0.876 1.00 0.35 H new ATOM 0 HB3 LEU A 51 4.384 9.280 1.858 1.00 0.35 H new ATOM 0 HG LEU A 51 4.241 7.342 0.290 1.00 0.39 H new ATOM 0 HD11 LEU A 51 6.082 6.971 -1.298 1.00 0.44 H new ATOM 0 HD12 LEU A 51 5.129 8.416 -1.714 1.00 0.44 H new ATOM 0 HD13 LEU A 51 6.718 8.592 -0.933 1.00 0.44 H new ATOM 0 HD21 LEU A 51 6.328 6.275 1.053 1.00 0.43 H new ATOM 0 HD22 LEU A 51 6.969 7.870 1.513 1.00 0.43 H new ATOM 0 HD23 LEU A 51 5.548 7.205 2.354 1.00 0.43 H new ATOM 841 N ILE A 52 1.678 9.115 0.847 1.00 0.37 N ATOM 842 CA ILE A 52 0.461 8.319 0.820 1.00 0.44 C ATOM 843 C ILE A 52 -0.471 8.809 -0.283 1.00 0.41 C ATOM 844 O ILE A 52 -1.112 8.012 -0.960 1.00 0.43 O ATOM 845 CB ILE A 52 -0.269 8.355 2.183 1.00 0.56 C ATOM 846 CG1 ILE A 52 0.641 7.806 3.285 1.00 0.66 C ATOM 847 CG2 ILE A 52 -1.564 7.556 2.122 1.00 0.67 C ATOM 848 CD1 ILE A 52 0.022 7.841 4.665 1.00 0.72 C ATOM 0 H ILE A 52 1.838 9.608 1.725 1.00 0.37 H new ATOM 0 HA ILE A 52 0.746 7.287 0.616 1.00 0.44 H new ATOM 0 HB ILE A 52 -0.516 9.391 2.413 1.00 0.56 H new ATOM 0 HG12 ILE A 52 0.908 6.777 3.043 1.00 0.66 H new ATOM 0 HG13 ILE A 52 1.567 8.381 3.298 1.00 0.66 H new ATOM 0 HG21 ILE A 52 -2.061 7.595 3.091 1.00 0.67 H new ATOM 0 HG22 ILE A 52 -2.218 7.981 1.361 1.00 0.67 H new ATOM 0 HG23 ILE A 52 -1.340 6.519 1.870 1.00 0.67 H new ATOM 0 HD11 ILE A 52 0.727 7.436 5.391 1.00 0.72 H new ATOM 0 HD12 ILE A 52 -0.219 8.870 4.929 1.00 0.72 H new ATOM 0 HD13 ILE A 52 -0.889 7.242 4.671 1.00 0.72 H new ATOM 860 N SER A 53 -0.514 10.121 -0.479 1.00 0.44 N ATOM 861 CA SER A 53 -1.326 10.711 -1.535 1.00 0.50 C ATOM 862 C SER A 53 -0.748 10.382 -2.913 1.00 0.48 C ATOM 863 O SER A 53 -1.490 10.175 -3.877 1.00 0.53 O ATOM 864 CB SER A 53 -1.411 12.223 -1.339 1.00 0.58 C ATOM 865 OG SER A 53 -1.931 12.537 -0.057 1.00 1.21 O ATOM 0 H SER A 53 0.005 10.797 0.081 1.00 0.44 H new ATOM 0 HA SER A 53 -2.329 10.289 -1.481 1.00 0.50 H new ATOM 0 HB2 SER A 53 -0.421 12.665 -1.453 1.00 0.58 H new ATOM 0 HB3 SER A 53 -2.046 12.659 -2.110 1.00 0.58 H new ATOM 0 HG SER A 53 -1.192 12.669 0.573 1.00 1.21 H new ATOM 871 N ASN A 54 0.578 10.321 -2.996 1.00 0.47 N ATOM 872 CA ASN A 54 1.257 9.958 -4.238 1.00 0.54 C ATOM 873 C ASN A 54 0.943 8.520 -4.629 1.00 0.47 C ATOM 874 O ASN A 54 0.904 8.181 -5.808 1.00 0.57 O ATOM 875 CB ASN A 54 2.773 10.138 -4.104 1.00 0.65 C ATOM 876 CG ASN A 54 3.247 11.510 -4.547 1.00 0.92 C ATOM 877 OD1 ASN A 54 3.582 11.713 -5.714 1.00 1.44 O ATOM 878 ND2 ASN A 54 3.275 12.462 -3.631 1.00 1.28 N ATOM 0 H ASN A 54 1.206 10.519 -2.217 1.00 0.47 H new ATOM 0 HA ASN A 54 0.891 10.623 -5.020 1.00 0.54 H new ATOM 0 HB2 ASN A 54 3.062 9.977 -3.065 1.00 0.65 H new ATOM 0 HB3 ASN A 54 3.278 9.376 -4.697 1.00 0.65 H new ATOM 0 HD21 ASN A 54 3.582 13.402 -3.882 1.00 1.28 H new ATOM 0 HD22 ASN A 54 2.990 12.257 -2.673 1.00 1.28 H new ATOM 885 N LEU A 55 0.725 7.675 -3.632 1.00 0.40 N ATOM 886 CA LEU A 55 0.367 6.286 -3.876 1.00 0.41 C ATOM 887 C LEU A 55 -1.146 6.152 -4.033 1.00 0.40 C ATOM 888 O LEU A 55 -1.637 5.292 -4.767 1.00 0.42 O ATOM 889 CB LEU A 55 0.856 5.406 -2.725 1.00 0.49 C ATOM 890 CG LEU A 55 0.727 3.901 -2.958 1.00 0.67 C ATOM 891 CD1 LEU A 55 1.654 3.453 -4.077 1.00 0.79 C ATOM 892 CD2 LEU A 55 1.019 3.139 -1.675 1.00 1.22 C ATOM 0 H LEU A 55 0.790 7.927 -2.646 1.00 0.40 H new ATOM 0 HA LEU A 55 0.846 5.957 -4.798 1.00 0.41 H new ATOM 0 HB2 LEU A 55 1.903 5.639 -2.530 1.00 0.49 H new ATOM 0 HB3 LEU A 55 0.298 5.668 -1.826 1.00 0.49 H new ATOM 0 HG LEU A 55 -0.298 3.683 -3.259 1.00 0.67 H new ATOM 0 HD11 LEU A 55 1.549 2.379 -4.229 1.00 0.79 H new ATOM 0 HD12 LEU A 55 1.394 3.977 -4.997 1.00 0.79 H new ATOM 0 HD13 LEU A 55 2.685 3.682 -3.809 1.00 0.79 H new ATOM 0 HD21 LEU A 55 0.923 2.069 -1.858 1.00 1.22 H new ATOM 0 HD22 LEU A 55 2.033 3.361 -1.343 1.00 1.22 H new ATOM 0 HD23 LEU A 55 0.310 3.440 -0.904 1.00 1.22 H new ATOM 904 N GLU A 56 -1.871 7.018 -3.335 1.00 0.43 N ATOM 905 CA GLU A 56 -3.330 7.051 -3.380 1.00 0.50 C ATOM 906 C GLU A 56 -3.828 7.176 -4.815 1.00 0.48 C ATOM 907 O GLU A 56 -4.692 6.416 -5.249 1.00 0.54 O ATOM 908 CB GLU A 56 -3.840 8.240 -2.563 1.00 0.62 C ATOM 909 CG GLU A 56 -5.350 8.359 -2.522 1.00 0.80 C ATOM 910 CD GLU A 56 -5.804 9.764 -2.201 1.00 1.19 C ATOM 911 OE1 GLU A 56 -5.731 10.170 -1.025 1.00 1.81 O ATOM 912 OE2 GLU A 56 -6.232 10.475 -3.135 1.00 1.47 O ATOM 0 H GLU A 56 -1.463 7.721 -2.719 1.00 0.43 H new ATOM 0 HA GLU A 56 -3.708 6.119 -2.960 1.00 0.50 H new ATOM 0 HB2 GLU A 56 -3.465 8.154 -1.543 1.00 0.62 H new ATOM 0 HB3 GLU A 56 -3.425 9.158 -2.979 1.00 0.62 H new ATOM 0 HG2 GLU A 56 -5.763 8.057 -3.485 1.00 0.80 H new ATOM 0 HG3 GLU A 56 -5.747 7.671 -1.775 1.00 0.80 H new ATOM 919 N ALA A 57 -3.254 8.120 -5.551 1.00 0.47 N ATOM 920 CA ALA A 57 -3.677 8.403 -6.918 1.00 0.54 C ATOM 921 C ALA A 57 -3.336 7.257 -7.870 1.00 0.50 C ATOM 922 O ALA A 57 -3.769 7.249 -9.025 1.00 0.65 O ATOM 923 CB ALA A 57 -3.045 9.697 -7.402 1.00 0.65 C ATOM 0 H ALA A 57 -2.488 8.707 -5.221 1.00 0.47 H new ATOM 0 HA ALA A 57 -4.762 8.511 -6.913 1.00 0.54 H new ATOM 0 HB1 ALA A 57 -3.367 9.899 -8.423 1.00 0.65 H new ATOM 0 HB2 ALA A 57 -3.355 10.517 -6.755 1.00 0.65 H new ATOM 0 HB3 ALA A 57 -1.959 9.604 -7.376 1.00 0.65 H new ATOM 929 N VAL A 58 -2.563 6.295 -7.387 1.00 0.39 N ATOM 930 CA VAL A 58 -2.179 5.150 -8.197 1.00 0.44 C ATOM 931 C VAL A 58 -3.216 4.033 -8.087 1.00 0.48 C ATOM 932 O VAL A 58 -3.629 3.461 -9.095 1.00 0.58 O ATOM 933 CB VAL A 58 -0.794 4.601 -7.788 1.00 0.46 C ATOM 934 CG1 VAL A 58 -0.397 3.427 -8.670 1.00 0.57 C ATOM 935 CG2 VAL A 58 0.259 5.696 -7.855 1.00 0.48 C ATOM 0 H VAL A 58 -2.190 6.285 -6.438 1.00 0.39 H new ATOM 0 HA VAL A 58 -2.126 5.495 -9.229 1.00 0.44 H new ATOM 0 HB VAL A 58 -0.860 4.249 -6.758 1.00 0.46 H new ATOM 0 HG11 VAL A 58 0.581 3.057 -8.364 1.00 0.57 H new ATOM 0 HG12 VAL A 58 -1.134 2.631 -8.569 1.00 0.57 H new ATOM 0 HG13 VAL A 58 -0.353 3.751 -9.710 1.00 0.57 H new ATOM 0 HG21 VAL A 58 1.227 5.288 -7.563 1.00 0.48 H new ATOM 0 HG22 VAL A 58 0.319 6.081 -8.873 1.00 0.48 H new ATOM 0 HG23 VAL A 58 -0.013 6.505 -7.177 1.00 0.48 H new ATOM 945 N TYR A 59 -3.644 3.732 -6.868 1.00 0.48 N ATOM 946 CA TYR A 59 -4.567 2.619 -6.648 1.00 0.57 C ATOM 947 C TYR A 59 -6.013 3.086 -6.534 1.00 0.67 C ATOM 948 O TYR A 59 -6.943 2.293 -6.689 1.00 0.74 O ATOM 949 CB TYR A 59 -4.186 1.836 -5.390 1.00 0.61 C ATOM 950 CG TYR A 59 -2.831 1.172 -5.471 1.00 0.63 C ATOM 951 CD1 TYR A 59 -2.499 0.347 -6.539 1.00 0.88 C ATOM 952 CD2 TYR A 59 -1.885 1.368 -4.475 1.00 0.60 C ATOM 953 CE1 TYR A 59 -1.263 -0.265 -6.606 1.00 1.00 C ATOM 954 CE2 TYR A 59 -0.647 0.762 -4.538 1.00 0.71 C ATOM 955 CZ TYR A 59 -0.339 -0.044 -5.631 1.00 0.87 C ATOM 956 OH TYR A 59 0.887 -0.669 -5.657 1.00 1.04 O ATOM 0 H TYR A 59 -3.372 4.235 -6.023 1.00 0.48 H new ATOM 0 HA TYR A 59 -4.487 1.970 -7.520 1.00 0.57 H new ATOM 0 HB2 TYR A 59 -4.198 2.512 -4.535 1.00 0.61 H new ATOM 0 HB3 TYR A 59 -4.943 1.074 -5.205 1.00 0.61 H new ATOM 0 HD1 TYR A 59 -3.218 0.182 -7.328 1.00 0.88 H new ATOM 0 HD2 TYR A 59 -2.122 2.006 -3.636 1.00 0.60 H new ATOM 0 HE1 TYR A 59 -1.029 -0.920 -7.433 1.00 1.00 H new ATOM 0 HE2 TYR A 59 0.075 0.911 -3.749 1.00 0.71 H new ATOM 0 HH TYR A 59 1.376 -0.397 -6.462 1.00 1.04 H new ATOM 966 N GLY A 60 -6.198 4.368 -6.255 1.00 0.79 N ATOM 967 CA GLY A 60 -7.533 4.899 -6.064 1.00 0.93 C ATOM 968 C GLY A 60 -8.125 4.455 -4.743 1.00 1.01 C ATOM 969 O GLY A 60 -9.342 4.413 -4.577 1.00 1.23 O ATOM 0 H GLY A 60 -5.447 5.051 -6.157 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -7.501 5.988 -6.102 1.00 0.93 H new ATOM 0 HA3 GLY A 60 -8.176 4.571 -6.880 1.00 0.93 H new ATOM 973 N THR A 61 -7.251 4.126 -3.806 1.00 1.00 N ATOM 974 CA THR A 61 -7.658 3.632 -2.504 1.00 1.17 C ATOM 975 C THR A 61 -7.921 4.783 -1.539 1.00 1.44 C ATOM 976 O THR A 61 -7.545 5.927 -1.804 1.00 1.78 O ATOM 977 CB THR A 61 -6.572 2.708 -1.926 1.00 1.44 C ATOM 978 OG1 THR A 61 -5.281 3.303 -2.119 1.00 1.83 O ATOM 979 CG2 THR A 61 -6.612 1.341 -2.591 1.00 1.52 C ATOM 0 H THR A 61 -6.241 4.194 -3.928 1.00 1.00 H new ATOM 0 HA THR A 61 -8.583 3.070 -2.630 1.00 1.17 H new ATOM 0 HB THR A 61 -6.761 2.577 -0.860 1.00 1.44 H new ATOM 0 HG1 THR A 61 -4.744 3.190 -1.307 1.00 1.83 H new ATOM 0 HG21 THR A 61 -5.835 0.706 -2.165 1.00 1.52 H new ATOM 0 HG22 THR A 61 -7.587 0.883 -2.423 1.00 1.52 H new ATOM 0 HG23 THR A 61 -6.443 1.452 -3.662 1.00 1.52 H new ATOM 987 N ASP A 62 -8.564 4.469 -0.423 1.00 1.59 N ATOM 988 CA ASP A 62 -8.912 5.470 0.573 1.00 1.95 C ATOM 989 C ASP A 62 -7.781 5.602 1.581 1.00 1.51 C ATOM 990 O ASP A 62 -7.409 4.619 2.225 1.00 1.59 O ATOM 991 CB ASP A 62 -10.200 5.079 1.307 1.00 2.71 C ATOM 992 CG ASP A 62 -11.280 4.572 0.376 1.00 3.35 C ATOM 993 OD1 ASP A 62 -11.894 5.388 -0.341 1.00 4.01 O ATOM 994 OD2 ASP A 62 -11.520 3.346 0.356 1.00 3.59 O ATOM 0 H ASP A 62 -8.857 3.521 -0.185 1.00 1.59 H new ATOM 0 HA ASP A 62 -9.071 6.422 0.066 1.00 1.95 H new ATOM 0 HB2 ASP A 62 -9.972 4.309 2.044 1.00 2.71 H new ATOM 0 HB3 ASP A 62 -10.576 5.943 1.855 1.00 2.71 H new ATOM 999 N PRO A 63 -7.216 6.810 1.727 1.00 2.12 N ATOM 1000 CA PRO A 63 -6.106 7.048 2.652 1.00 2.53 C ATOM 1001 C PRO A 63 -6.504 6.782 4.100 1.00 2.06 C ATOM 1002 O PRO A 63 -7.346 7.476 4.668 1.00 2.15 O ATOM 1003 CB PRO A 63 -5.770 8.531 2.448 1.00 3.71 C ATOM 1004 CG PRO A 63 -6.992 9.125 1.833 1.00 3.94 C ATOM 1005 CD PRO A 63 -7.611 8.033 1.011 1.00 3.13 C ATOM 0 HA PRO A 63 -5.263 6.385 2.457 1.00 2.53 H new ATOM 0 HB2 PRO A 63 -5.530 9.015 3.395 1.00 3.71 H new ATOM 0 HB3 PRO A 63 -4.903 8.653 1.799 1.00 3.71 H new ATOM 0 HG2 PRO A 63 -7.683 9.477 2.599 1.00 3.94 H new ATOM 0 HG3 PRO A 63 -6.739 9.985 1.213 1.00 3.94 H new ATOM 0 HD2 PRO A 63 -8.695 8.135 0.956 1.00 3.13 H new ATOM 0 HD3 PRO A 63 -7.238 8.039 -0.013 1.00 3.13 H new ATOM 1013 N PHE A 64 -5.874 5.785 4.700 1.00 2.11 N ATOM 1014 CA PHE A 64 -6.220 5.363 6.051 1.00 1.93 C ATOM 1015 C PHE A 64 -5.493 6.202 7.097 1.00 2.37 C ATOM 1016 O PHE A 64 -5.708 6.032 8.294 1.00 2.33 O ATOM 1017 CB PHE A 64 -5.890 3.879 6.244 1.00 2.60 C ATOM 1018 CG PHE A 64 -4.425 3.563 6.125 1.00 2.84 C ATOM 1019 CD1 PHE A 64 -3.624 3.497 7.254 1.00 3.12 C ATOM 1020 CD2 PHE A 64 -3.850 3.330 4.886 1.00 3.20 C ATOM 1021 CE1 PHE A 64 -2.279 3.207 7.149 1.00 3.72 C ATOM 1022 CE2 PHE A 64 -2.506 3.041 4.775 1.00 3.78 C ATOM 1023 CZ PHE A 64 -1.719 2.978 5.908 1.00 4.03 C ATOM 0 H PHE A 64 -5.118 5.250 4.273 1.00 2.11 H new ATOM 0 HA PHE A 64 -7.292 5.511 6.184 1.00 1.93 H new ATOM 0 HB2 PHE A 64 -6.242 3.563 7.226 1.00 2.60 H new ATOM 0 HB3 PHE A 64 -6.439 3.295 5.505 1.00 2.60 H new ATOM 0 HD1 PHE A 64 -4.057 3.675 8.227 1.00 3.12 H new ATOM 0 HD2 PHE A 64 -4.461 3.375 3.997 1.00 3.20 H new ATOM 0 HE1 PHE A 64 -1.665 3.159 8.036 1.00 3.72 H new ATOM 0 HE2 PHE A 64 -2.070 2.864 3.803 1.00 3.78 H new ATOM 0 HZ PHE A 64 -0.667 2.750 5.823 1.00 4.03 H new ATOM 1033 N ALA A 65 -4.649 7.119 6.640 1.00 3.08 N ATOM 1034 CA ALA A 65 -3.856 7.952 7.540 1.00 3.86 C ATOM 1035 C ALA A 65 -4.748 8.809 8.436 1.00 3.69 C ATOM 1036 O ALA A 65 -4.371 9.161 9.552 1.00 3.90 O ATOM 1037 CB ALA A 65 -2.910 8.836 6.742 1.00 4.87 C ATOM 0 H ALA A 65 -4.495 7.306 5.649 1.00 3.08 H new ATOM 0 HA ALA A 65 -3.272 7.291 8.181 1.00 3.86 H new ATOM 0 HB1 ALA A 65 -2.325 9.452 7.425 1.00 4.87 H new ATOM 0 HB2 ALA A 65 -2.240 8.212 6.151 1.00 4.87 H new ATOM 0 HB3 ALA A 65 -3.487 9.479 6.077 1.00 4.87 H new ATOM 1043 N ASP A 66 -5.935 9.127 7.945 1.00 3.58 N ATOM 1044 CA ASP A 66 -6.862 9.986 8.673 1.00 3.92 C ATOM 1045 C ASP A 66 -7.809 9.154 9.538 1.00 3.25 C ATOM 1046 O ASP A 66 -8.494 9.680 10.415 1.00 3.56 O ATOM 1047 CB ASP A 66 -7.655 10.842 7.679 1.00 4.73 C ATOM 1048 CG ASP A 66 -8.486 11.919 8.349 1.00 5.33 C ATOM 1049 OD1 ASP A 66 -9.683 11.672 8.611 1.00 5.57 O ATOM 1050 OD2 ASP A 66 -7.940 13.008 8.636 1.00 5.89 O ATOM 0 H ASP A 66 -6.282 8.803 7.042 1.00 3.58 H new ATOM 0 HA ASP A 66 -6.292 10.639 9.334 1.00 3.92 H new ATOM 0 HB2 ASP A 66 -6.963 11.309 6.979 1.00 4.73 H new ATOM 0 HB3 ASP A 66 -8.311 10.196 7.096 1.00 4.73 H new ATOM 1055 N ALA A 67 -7.823 7.846 9.304 1.00 2.57 N ATOM 1056 CA ALA A 67 -8.749 6.957 9.999 1.00 2.48 C ATOM 1057 C ALA A 67 -8.037 6.089 11.036 1.00 2.09 C ATOM 1058 O ALA A 67 -8.559 5.852 12.123 1.00 2.63 O ATOM 1059 CB ALA A 67 -9.484 6.082 8.995 1.00 2.61 C ATOM 0 H ALA A 67 -7.206 7.378 8.640 1.00 2.57 H new ATOM 0 HA ALA A 67 -9.468 7.579 10.532 1.00 2.48 H new ATOM 0 HB1 ALA A 67 -10.173 5.422 9.523 1.00 2.61 H new ATOM 0 HB2 ALA A 67 -10.044 6.712 8.304 1.00 2.61 H new ATOM 0 HB3 ALA A 67 -8.763 5.484 8.438 1.00 2.61 H new ATOM 1065 N VAL A 68 -6.845 5.615 10.695 1.00 1.75 N ATOM 1066 CA VAL A 68 -6.087 4.739 11.582 1.00 2.06 C ATOM 1067 C VAL A 68 -4.920 5.502 12.208 1.00 1.84 C ATOM 1068 O VAL A 68 -4.039 4.915 12.836 1.00 2.23 O ATOM 1069 CB VAL A 68 -5.551 3.494 10.835 1.00 2.70 C ATOM 1070 CG1 VAL A 68 -5.120 2.410 11.814 1.00 3.04 C ATOM 1071 CG2 VAL A 68 -6.594 2.956 9.868 1.00 3.37 C ATOM 0 H VAL A 68 -6.382 5.822 9.810 1.00 1.75 H new ATOM 0 HA VAL A 68 -6.765 4.400 12.365 1.00 2.06 H new ATOM 0 HB VAL A 68 -4.675 3.799 10.263 1.00 2.70 H new ATOM 0 HG11 VAL A 68 -4.748 1.547 11.261 1.00 3.04 H new ATOM 0 HG12 VAL A 68 -4.331 2.795 12.459 1.00 3.04 H new ATOM 0 HG13 VAL A 68 -5.973 2.110 12.423 1.00 3.04 H new ATOM 0 HG21 VAL A 68 -6.196 2.081 9.354 1.00 3.37 H new ATOM 0 HG22 VAL A 68 -7.491 2.676 10.420 1.00 3.37 H new ATOM 0 HG23 VAL A 68 -6.843 3.725 9.137 1.00 3.37 H new ATOM 1081 N ALA A 69 -4.944 6.823 12.026 1.00 1.56 N ATOM 1082 CA ALA A 69 -3.908 7.722 12.526 1.00 1.54 C ATOM 1083 C ALA A 69 -2.577 7.536 11.797 1.00 1.33 C ATOM 1084 O ALA A 69 -2.162 6.421 11.481 1.00 1.29 O ATOM 1085 CB ALA A 69 -3.748 7.544 14.023 1.00 1.80 C ATOM 0 H ALA A 69 -5.691 7.301 11.522 1.00 1.56 H new ATOM 0 HA ALA A 69 -4.227 8.745 12.325 1.00 1.54 H new ATOM 0 HB1 ALA A 69 -2.973 8.218 14.389 1.00 1.80 H new ATOM 0 HB2 ALA A 69 -4.691 7.772 14.519 1.00 1.80 H new ATOM 0 HB3 ALA A 69 -3.464 6.514 14.239 1.00 1.80 H new ATOM 1091 N ILE A 70 -1.913 8.654 11.528 1.00 1.30 N ATOM 1092 CA ILE A 70 -0.663 8.647 10.776 1.00 1.16 C ATOM 1093 C ILE A 70 0.480 8.063 11.614 1.00 1.01 C ATOM 1094 O ILE A 70 1.487 7.602 11.077 1.00 0.94 O ATOM 1095 CB ILE A 70 -0.298 10.073 10.288 1.00 1.33 C ATOM 1096 CG1 ILE A 70 0.957 10.055 9.408 1.00 1.46 C ATOM 1097 CG2 ILE A 70 -0.108 11.018 11.464 1.00 1.51 C ATOM 1098 CD1 ILE A 70 0.780 9.298 8.109 1.00 1.46 C ATOM 0 H ILE A 70 -2.221 9.581 11.821 1.00 1.30 H new ATOM 0 HA ILE A 70 -0.808 8.012 9.902 1.00 1.16 H new ATOM 0 HB ILE A 70 -1.130 10.437 9.685 1.00 1.33 H new ATOM 0 HG12 ILE A 70 1.247 11.081 9.183 1.00 1.46 H new ATOM 0 HG13 ILE A 70 1.777 9.608 9.970 1.00 1.46 H new ATOM 0 HG21 ILE A 70 0.147 12.011 11.095 1.00 1.51 H new ATOM 0 HG22 ILE A 70 -1.031 11.071 12.041 1.00 1.51 H new ATOM 0 HG23 ILE A 70 0.697 10.650 12.100 1.00 1.51 H new ATOM 0 HD11 ILE A 70 1.709 9.329 7.540 1.00 1.46 H new ATOM 0 HD12 ILE A 70 0.521 8.261 8.324 1.00 1.46 H new ATOM 0 HD13 ILE A 70 -0.018 9.758 7.526 1.00 1.46 H new ATOM 1110 N THR A 71 0.299 8.055 12.930 1.00 1.06 N ATOM 1111 CA THR A 71 1.293 7.495 13.839 1.00 1.05 C ATOM 1112 C THR A 71 1.372 5.976 13.710 1.00 0.90 C ATOM 1113 O THR A 71 2.313 5.350 14.196 1.00 0.89 O ATOM 1114 CB THR A 71 0.978 7.866 15.299 1.00 1.28 C ATOM 1115 OG1 THR A 71 -0.420 7.670 15.559 1.00 1.47 O ATOM 1116 CG2 THR A 71 1.362 9.309 15.589 1.00 1.59 C ATOM 0 H THR A 71 -0.529 8.431 13.392 1.00 1.06 H new ATOM 0 HA THR A 71 2.256 7.922 13.561 1.00 1.05 H new ATOM 0 HB THR A 71 1.563 7.219 15.952 1.00 1.28 H new ATOM 0 HG1 THR A 71 -0.616 7.906 16.490 1.00 1.47 H new ATOM 0 HG21 THR A 71 1.129 9.546 16.627 1.00 1.59 H new ATOM 0 HG22 THR A 71 2.430 9.443 15.417 1.00 1.59 H new ATOM 0 HG23 THR A 71 0.802 9.974 14.931 1.00 1.59 H new ATOM 1124 N SER A 72 0.384 5.389 13.043 1.00 0.90 N ATOM 1125 CA SER A 72 0.351 3.949 12.833 1.00 0.92 C ATOM 1126 C SER A 72 1.462 3.522 11.876 1.00 0.73 C ATOM 1127 O SER A 72 1.894 2.367 11.877 1.00 0.76 O ATOM 1128 CB SER A 72 -1.018 3.532 12.284 1.00 1.15 C ATOM 1129 OG SER A 72 -1.132 2.123 12.184 1.00 1.94 O ATOM 0 H SER A 72 -0.406 5.891 12.638 1.00 0.90 H new ATOM 0 HA SER A 72 0.514 3.451 13.789 1.00 0.92 H new ATOM 0 HB2 SER A 72 -1.804 3.916 12.934 1.00 1.15 H new ATOM 0 HB3 SER A 72 -1.169 3.981 11.302 1.00 1.15 H new ATOM 0 HG SER A 72 -2.017 1.891 11.832 1.00 1.94 H new ATOM 1135 N ILE A 73 1.932 4.468 11.073 1.00 0.62 N ATOM 1136 CA ILE A 73 2.983 4.200 10.106 1.00 0.52 C ATOM 1137 C ILE A 73 4.347 4.236 10.783 1.00 0.51 C ATOM 1138 O ILE A 73 4.923 5.307 10.989 1.00 0.60 O ATOM 1139 CB ILE A 73 2.962 5.221 8.946 1.00 0.60 C ATOM 1140 CG1 ILE A 73 1.577 5.270 8.293 1.00 0.67 C ATOM 1141 CG2 ILE A 73 4.026 4.876 7.911 1.00 0.61 C ATOM 1142 CD1 ILE A 73 1.135 3.948 7.705 1.00 0.63 C ATOM 0 H ILE A 73 1.598 5.432 11.074 1.00 0.62 H new ATOM 0 HA ILE A 73 2.802 3.207 9.695 1.00 0.52 H new ATOM 0 HB ILE A 73 3.184 6.207 9.355 1.00 0.60 H new ATOM 0 HG12 ILE A 73 0.846 5.590 9.036 1.00 0.67 H new ATOM 0 HG13 ILE A 73 1.583 6.024 7.506 1.00 0.67 H new ATOM 0 HG21 ILE A 73 3.996 5.606 7.102 1.00 0.61 H new ATOM 0 HG22 ILE A 73 5.010 4.894 8.380 1.00 0.61 H new ATOM 0 HG23 ILE A 73 3.834 3.881 7.510 1.00 0.61 H new ATOM 0 HD11 ILE A 73 0.146 4.060 7.261 1.00 0.63 H new ATOM 0 HD12 ILE A 73 1.844 3.636 6.938 1.00 0.63 H new ATOM 0 HD13 ILE A 73 1.096 3.195 8.492 1.00 0.63 H new ATOM 1154 N VAL A 74 4.853 3.069 11.148 1.00 0.49 N ATOM 1155 CA VAL A 74 6.171 2.970 11.750 1.00 0.57 C ATOM 1156 C VAL A 74 7.216 2.693 10.678 1.00 0.45 C ATOM 1157 O VAL A 74 8.201 3.421 10.549 1.00 0.52 O ATOM 1158 CB VAL A 74 6.229 1.863 12.822 1.00 0.71 C ATOM 1159 CG1 VAL A 74 7.589 1.849 13.506 1.00 0.84 C ATOM 1160 CG2 VAL A 74 5.117 2.043 13.843 1.00 0.88 C ATOM 0 H VAL A 74 4.370 2.177 11.038 1.00 0.49 H new ATOM 0 HA VAL A 74 6.381 3.923 12.235 1.00 0.57 H new ATOM 0 HB VAL A 74 6.085 0.902 12.328 1.00 0.71 H new ATOM 0 HG11 VAL A 74 7.610 1.061 14.259 1.00 0.84 H new ATOM 0 HG12 VAL A 74 8.367 1.664 12.765 1.00 0.84 H new ATOM 0 HG13 VAL A 74 7.766 2.812 13.984 1.00 0.84 H new ATOM 0 HG21 VAL A 74 5.177 1.251 14.590 1.00 0.88 H new ATOM 0 HG22 VAL A 74 5.225 3.011 14.332 1.00 0.88 H new ATOM 0 HG23 VAL A 74 4.151 1.996 13.341 1.00 0.88 H new ATOM 1170 N THR A 75 6.987 1.655 9.895 1.00 0.36 N ATOM 1171 CA THR A 75 7.901 1.291 8.830 1.00 0.34 C ATOM 1172 C THR A 75 7.217 1.381 7.474 1.00 0.31 C ATOM 1173 O THR A 75 6.021 1.674 7.399 1.00 0.33 O ATOM 1174 CB THR A 75 8.451 -0.135 9.022 1.00 0.43 C ATOM 1175 OG1 THR A 75 7.374 -1.081 9.083 1.00 0.63 O ATOM 1176 CG2 THR A 75 9.279 -0.230 10.290 1.00 0.65 C ATOM 0 H THR A 75 6.172 1.047 9.978 1.00 0.36 H new ATOM 0 HA THR A 75 8.730 1.997 8.867 1.00 0.34 H new ATOM 0 HB THR A 75 9.088 -0.366 8.168 1.00 0.43 H new ATOM 0 HG1 THR A 75 6.620 -0.687 9.570 1.00 0.63 H new ATOM 0 HG21 THR A 75 9.656 -1.246 10.403 1.00 0.65 H new ATOM 0 HG22 THR A 75 10.118 0.464 10.230 1.00 0.65 H new ATOM 0 HG23 THR A 75 8.659 0.025 11.149 1.00 0.65 H new ATOM 1184 N VAL A 76 7.968 1.134 6.409 1.00 0.29 N ATOM 1185 CA VAL A 76 7.395 1.101 5.069 1.00 0.28 C ATOM 1186 C VAL A 76 6.367 -0.024 4.979 1.00 0.27 C ATOM 1187 O VAL A 76 5.332 0.108 4.319 1.00 0.30 O ATOM 1188 CB VAL A 76 8.482 0.902 3.985 1.00 0.32 C ATOM 1189 CG1 VAL A 76 7.870 0.907 2.593 1.00 0.53 C ATOM 1190 CG2 VAL A 76 9.558 1.976 4.093 1.00 0.60 C ATOM 0 H VAL A 76 8.971 0.954 6.446 1.00 0.29 H new ATOM 0 HA VAL A 76 6.914 2.062 4.887 1.00 0.28 H new ATOM 0 HB VAL A 76 8.945 -0.070 4.153 1.00 0.32 H new ATOM 0 HG11 VAL A 76 8.655 0.765 1.850 1.00 0.53 H new ATOM 0 HG12 VAL A 76 7.144 0.098 2.512 1.00 0.53 H new ATOM 0 HG13 VAL A 76 7.372 1.861 2.418 1.00 0.53 H new ATOM 0 HG21 VAL A 76 10.311 1.816 3.321 1.00 0.60 H new ATOM 0 HG22 VAL A 76 9.106 2.959 3.960 1.00 0.60 H new ATOM 0 HG23 VAL A 76 10.028 1.923 5.075 1.00 0.60 H new ATOM 1200 N ALA A 77 6.654 -1.117 5.683 1.00 0.28 N ATOM 1201 CA ALA A 77 5.779 -2.281 5.722 1.00 0.31 C ATOM 1202 C ALA A 77 4.367 -1.908 6.148 1.00 0.31 C ATOM 1203 O ALA A 77 3.398 -2.377 5.560 1.00 0.35 O ATOM 1204 CB ALA A 77 6.346 -3.335 6.660 1.00 0.36 C ATOM 0 H ALA A 77 7.501 -1.218 6.242 1.00 0.28 H new ATOM 0 HA ALA A 77 5.726 -2.688 4.712 1.00 0.31 H new ATOM 0 HB1 ALA A 77 5.682 -4.199 6.680 1.00 0.36 H new ATOM 0 HB2 ALA A 77 7.331 -3.642 6.309 1.00 0.36 H new ATOM 0 HB3 ALA A 77 6.431 -2.920 7.664 1.00 0.36 H new ATOM 1210 N ASP A 78 4.259 -1.051 7.157 1.00 0.32 N ATOM 1211 CA ASP A 78 2.958 -0.633 7.675 1.00 0.37 C ATOM 1212 C ASP A 78 2.113 -0.007 6.574 1.00 0.36 C ATOM 1213 O ASP A 78 0.935 -0.325 6.421 1.00 0.42 O ATOM 1214 CB ASP A 78 3.124 0.364 8.824 1.00 0.44 C ATOM 1215 CG ASP A 78 3.818 -0.240 10.025 1.00 1.12 C ATOM 1216 OD1 ASP A 78 5.058 -0.145 10.112 1.00 2.04 O ATOM 1217 OD2 ASP A 78 3.126 -0.819 10.889 1.00 1.01 O ATOM 0 H ASP A 78 5.057 -0.631 7.634 1.00 0.32 H new ATOM 0 HA ASP A 78 2.450 -1.522 8.049 1.00 0.37 H new ATOM 0 HB2 ASP A 78 3.695 1.224 8.474 1.00 0.44 H new ATOM 0 HB3 ASP A 78 2.143 0.733 9.124 1.00 0.44 H new ATOM 1222 N LEU A 79 2.733 0.867 5.796 1.00 0.32 N ATOM 1223 CA LEU A 79 2.044 1.563 4.718 1.00 0.34 C ATOM 1224 C LEU A 79 1.769 0.621 3.546 1.00 0.31 C ATOM 1225 O LEU A 79 0.653 0.563 3.028 1.00 0.34 O ATOM 1226 CB LEU A 79 2.883 2.756 4.250 1.00 0.40 C ATOM 1227 CG LEU A 79 2.285 3.571 3.099 1.00 0.46 C ATOM 1228 CD1 LEU A 79 0.945 4.168 3.503 1.00 0.51 C ATOM 1229 CD2 LEU A 79 3.250 4.667 2.668 1.00 0.53 C ATOM 0 H LEU A 79 3.718 1.113 5.892 1.00 0.32 H new ATOM 0 HA LEU A 79 1.087 1.922 5.096 1.00 0.34 H new ATOM 0 HB2 LEU A 79 3.042 3.421 5.099 1.00 0.40 H new ATOM 0 HB3 LEU A 79 3.863 2.391 3.943 1.00 0.40 H new ATOM 0 HG LEU A 79 2.120 2.903 2.254 1.00 0.46 H new ATOM 0 HD11 LEU A 79 0.537 4.743 2.672 1.00 0.51 H new ATOM 0 HD12 LEU A 79 0.254 3.367 3.764 1.00 0.51 H new ATOM 0 HD13 LEU A 79 1.083 4.823 4.364 1.00 0.51 H new ATOM 0 HD21 LEU A 79 2.811 5.237 1.849 1.00 0.53 H new ATOM 0 HD22 LEU A 79 3.445 5.332 3.510 1.00 0.53 H new ATOM 0 HD23 LEU A 79 4.186 4.218 2.336 1.00 0.53 H new ATOM 1241 N ALA A 80 2.790 -0.128 3.150 1.00 0.29 N ATOM 1242 CA ALA A 80 2.698 -1.001 1.988 1.00 0.33 C ATOM 1243 C ALA A 80 1.729 -2.156 2.224 1.00 0.30 C ATOM 1244 O ALA A 80 0.846 -2.402 1.406 1.00 0.34 O ATOM 1245 CB ALA A 80 4.076 -1.526 1.616 1.00 0.38 C ATOM 0 H ALA A 80 3.695 -0.148 3.619 1.00 0.29 H new ATOM 0 HA ALA A 80 2.306 -0.412 1.159 1.00 0.33 H new ATOM 0 HB1 ALA A 80 3.994 -2.177 0.746 1.00 0.38 H new ATOM 0 HB2 ALA A 80 4.733 -0.689 1.382 1.00 0.38 H new ATOM 0 HB3 ALA A 80 4.489 -2.089 2.453 1.00 0.38 H new ATOM 1251 N ARG A 81 1.878 -2.846 3.353 1.00 0.30 N ATOM 1252 CA ARG A 81 1.050 -4.013 3.652 1.00 0.35 C ATOM 1253 C ARG A 81 -0.405 -3.617 3.863 1.00 0.34 C ATOM 1254 O ARG A 81 -1.309 -4.435 3.698 1.00 0.39 O ATOM 1255 CB ARG A 81 1.575 -4.756 4.883 1.00 0.47 C ATOM 1256 CG ARG A 81 2.924 -5.419 4.660 1.00 1.33 C ATOM 1257 CD ARG A 81 3.415 -6.141 5.903 1.00 1.69 C ATOM 1258 NE ARG A 81 2.492 -7.189 6.331 1.00 2.26 N ATOM 1259 CZ ARG A 81 2.832 -8.211 7.114 1.00 3.09 C ATOM 1260 NH1 ARG A 81 4.082 -8.338 7.552 1.00 3.43 N ATOM 1261 NH2 ARG A 81 1.919 -9.107 7.461 1.00 4.06 N ATOM 0 H ARG A 81 2.562 -2.618 4.074 1.00 0.30 H new ATOM 0 HA ARG A 81 1.104 -4.681 2.792 1.00 0.35 H new ATOM 0 HB2 ARG A 81 1.656 -4.055 5.714 1.00 0.47 H new ATOM 0 HB3 ARG A 81 0.850 -5.515 5.176 1.00 0.47 H new ATOM 0 HG2 ARG A 81 2.848 -6.128 3.835 1.00 1.33 H new ATOM 0 HG3 ARG A 81 3.654 -4.665 4.366 1.00 1.33 H new ATOM 0 HD2 ARG A 81 4.393 -6.579 5.704 1.00 1.69 H new ATOM 0 HD3 ARG A 81 3.546 -5.422 6.711 1.00 1.69 H new ATOM 0 HE ARG A 81 1.525 -7.135 6.010 1.00 2.26 H new ATOM 0 HH11 ARG A 81 4.787 -7.650 7.288 1.00 3.43 H new ATOM 0 HH12 ARG A 81 4.335 -9.123 8.151 1.00 3.43 H new ATOM 0 HH21 ARG A 81 0.959 -9.012 7.128 1.00 4.06 H new ATOM 0 HH22 ARG A 81 2.176 -9.891 8.061 1.00 4.06 H new ATOM 1275 N ALA A 82 -0.628 -2.361 4.222 1.00 0.37 N ATOM 1276 CA ALA A 82 -1.978 -1.850 4.378 1.00 0.45 C ATOM 1277 C ALA A 82 -2.721 -1.899 3.048 1.00 0.49 C ATOM 1278 O ALA A 82 -3.801 -2.484 2.949 1.00 0.59 O ATOM 1279 CB ALA A 82 -1.950 -0.430 4.916 1.00 0.52 C ATOM 0 H ALA A 82 0.108 -1.680 4.410 1.00 0.37 H new ATOM 0 HA ALA A 82 -2.505 -2.480 5.094 1.00 0.45 H new ATOM 0 HB1 ALA A 82 -2.970 -0.063 5.027 1.00 0.52 H new ATOM 0 HB2 ALA A 82 -1.453 -0.418 5.886 1.00 0.52 H new ATOM 0 HB3 ALA A 82 -1.407 0.211 4.222 1.00 0.52 H new ATOM 1285 N TYR A 83 -2.116 -1.314 2.021 1.00 0.49 N ATOM 1286 CA TYR A 83 -2.728 -1.280 0.698 1.00 0.60 C ATOM 1287 C TYR A 83 -2.538 -2.605 -0.035 1.00 0.62 C ATOM 1288 O TYR A 83 -3.287 -2.921 -0.955 1.00 0.77 O ATOM 1289 CB TYR A 83 -2.164 -0.124 -0.131 1.00 0.66 C ATOM 1290 CG TYR A 83 -2.552 1.240 0.397 1.00 0.67 C ATOM 1291 CD1 TYR A 83 -1.579 2.167 0.752 1.00 0.67 C ATOM 1292 CD2 TYR A 83 -3.884 1.599 0.545 1.00 0.83 C ATOM 1293 CE1 TYR A 83 -1.924 3.412 1.241 1.00 0.72 C ATOM 1294 CE2 TYR A 83 -4.236 2.843 1.033 1.00 0.90 C ATOM 1295 CZ TYR A 83 -3.274 3.749 1.356 1.00 0.80 C ATOM 1296 OH TYR A 83 -3.601 4.987 1.864 1.00 0.90 O ATOM 0 H TYR A 83 -1.205 -0.858 2.078 1.00 0.49 H new ATOM 0 HA TYR A 83 -3.798 -1.120 0.832 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -1.077 -0.200 -0.155 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -2.513 -0.220 -1.159 1.00 0.66 H new ATOM 0 HD1 TYR A 83 -0.536 1.910 0.644 1.00 0.67 H new ATOM 0 HD2 TYR A 83 -4.658 0.895 0.275 1.00 0.83 H new ATOM 0 HE1 TYR A 83 -1.158 4.116 1.531 1.00 0.72 H new ATOM 0 HE2 TYR A 83 -5.278 3.097 1.158 1.00 0.90 H new ATOM 0 HH TYR A 83 -3.797 4.907 2.821 1.00 0.90 H new ATOM 1306 N ALA A 84 -1.546 -3.384 0.385 1.00 0.51 N ATOM 1307 CA ALA A 84 -1.315 -4.703 -0.194 1.00 0.55 C ATOM 1308 C ALA A 84 -2.489 -5.632 0.094 1.00 0.61 C ATOM 1309 O ALA A 84 -2.768 -6.557 -0.669 1.00 0.72 O ATOM 1310 CB ALA A 84 -0.025 -5.306 0.339 1.00 0.52 C ATOM 0 H ALA A 84 -0.891 -3.126 1.123 1.00 0.51 H new ATOM 0 HA ALA A 84 -1.223 -4.586 -1.274 1.00 0.55 H new ATOM 0 HB1 ALA A 84 0.128 -6.289 -0.106 1.00 0.52 H new ATOM 0 HB2 ALA A 84 0.813 -4.658 0.083 1.00 0.52 H new ATOM 0 HB3 ALA A 84 -0.090 -5.404 1.423 1.00 0.52 H new ATOM 1316 N GLN A 85 -3.172 -5.377 1.203 1.00 0.65 N ATOM 1317 CA GLN A 85 -4.351 -6.150 1.575 1.00 0.79 C ATOM 1318 C GLN A 85 -5.582 -5.656 0.825 1.00 0.96 C ATOM 1319 O GLN A 85 -6.614 -6.322 0.800 1.00 1.19 O ATOM 1320 CB GLN A 85 -4.587 -6.061 3.082 1.00 0.85 C ATOM 1321 CG GLN A 85 -3.524 -6.765 3.903 1.00 1.40 C ATOM 1322 CD GLN A 85 -3.655 -6.483 5.383 1.00 2.07 C ATOM 1323 OE1 GLN A 85 -4.360 -7.189 6.104 1.00 2.59 O ATOM 1324 NE2 GLN A 85 -2.969 -5.455 5.846 1.00 2.83 N ATOM 0 H GLN A 85 -2.929 -4.638 1.863 1.00 0.65 H new ATOM 0 HA GLN A 85 -4.176 -7.191 1.302 1.00 0.79 H new ATOM 0 HB2 GLN A 85 -4.625 -5.012 3.374 1.00 0.85 H new ATOM 0 HB3 GLN A 85 -5.560 -6.493 3.316 1.00 0.85 H new ATOM 0 HG2 GLN A 85 -3.591 -7.840 3.734 1.00 1.40 H new ATOM 0 HG3 GLN A 85 -2.538 -6.450 3.562 1.00 1.40 H new ATOM 0 HE21 GLN A 85 -2.397 -4.897 5.212 1.00 2.83 H new ATOM 0 HE22 GLN A 85 -3.011 -5.219 6.837 1.00 2.83 H new ATOM 1333 N GLN A 86 -5.468 -4.488 0.211 1.00 1.06 N ATOM 1334 CA GLN A 86 -6.570 -3.917 -0.547 1.00 1.32 C ATOM 1335 C GLN A 86 -6.491 -4.378 -1.996 1.00 1.60 C ATOM 1336 O GLN A 86 -5.539 -4.052 -2.708 1.00 1.83 O ATOM 1337 CB GLN A 86 -6.539 -2.385 -0.485 1.00 1.56 C ATOM 1338 CG GLN A 86 -6.436 -1.818 0.925 1.00 2.25 C ATOM 1339 CD GLN A 86 -7.547 -2.288 1.844 1.00 2.93 C ATOM 1340 OE1 GLN A 86 -7.414 -3.299 2.530 1.00 3.38 O ATOM 1341 NE2 GLN A 86 -8.649 -1.558 1.865 1.00 3.59 N ATOM 0 H GLN A 86 -4.623 -3.917 0.223 1.00 1.06 H new ATOM 0 HA GLN A 86 -7.506 -4.260 -0.107 1.00 1.32 H new ATOM 0 HB2 GLN A 86 -5.693 -2.026 -1.071 1.00 1.56 H new ATOM 0 HB3 GLN A 86 -7.441 -1.995 -0.956 1.00 1.56 H new ATOM 0 HG2 GLN A 86 -5.475 -2.102 1.354 1.00 2.25 H new ATOM 0 HG3 GLN A 86 -6.453 -0.729 0.873 1.00 2.25 H new ATOM 0 HE21 GLN A 86 -8.720 -0.725 1.280 1.00 3.59 H new ATOM 0 HE22 GLN A 86 -9.428 -1.828 2.466 1.00 3.59 H new ATOM 1350 N GLY A 87 -7.474 -5.154 -2.427 1.00 1.82 N ATOM 1351 CA GLY A 87 -7.491 -5.620 -3.799 1.00 2.21 C ATOM 1352 C GLY A 87 -7.344 -7.124 -3.914 1.00 2.47 C ATOM 1353 O GLY A 87 -7.432 -7.675 -5.014 1.00 2.96 O ATOM 0 H GLY A 87 -8.257 -5.469 -1.855 1.00 1.82 H new ATOM 0 HA2 GLY A 87 -8.426 -5.315 -4.269 1.00 2.21 H new ATOM 0 HA3 GLY A 87 -6.684 -5.138 -4.351 1.00 2.21 H new ATOM 1357 N VAL A 88 -7.121 -7.794 -2.791 1.00 2.43 N ATOM 1358 CA VAL A 88 -6.990 -9.246 -2.789 1.00 2.94 C ATOM 1359 C VAL A 88 -8.362 -9.913 -2.906 1.00 3.34 C ATOM 1360 O VAL A 88 -9.267 -9.638 -2.115 1.00 3.41 O ATOM 1361 CB VAL A 88 -6.259 -9.767 -1.527 1.00 3.15 C ATOM 1362 CG1 VAL A 88 -4.811 -9.304 -1.520 1.00 3.44 C ATOM 1363 CG2 VAL A 88 -6.961 -9.325 -0.249 1.00 3.59 C ATOM 0 H VAL A 88 -7.027 -7.358 -1.874 1.00 2.43 H new ATOM 0 HA VAL A 88 -6.384 -9.509 -3.656 1.00 2.94 H new ATOM 0 HB VAL A 88 -6.282 -10.856 -1.560 1.00 3.15 H new ATOM 0 HG11 VAL A 88 -4.313 -9.680 -0.626 1.00 3.44 H new ATOM 0 HG12 VAL A 88 -4.303 -9.685 -2.406 1.00 3.44 H new ATOM 0 HG13 VAL A 88 -4.777 -8.215 -1.523 1.00 3.44 H new ATOM 0 HG21 VAL A 88 -6.419 -9.709 0.615 1.00 3.59 H new ATOM 0 HG22 VAL A 88 -6.987 -8.236 -0.206 1.00 3.59 H new ATOM 0 HG23 VAL A 88 -7.980 -9.713 -0.241 1.00 3.59 H new ATOM 1373 N PRO A 89 -8.551 -10.767 -3.925 1.00 3.89 N ATOM 1374 CA PRO A 89 -9.809 -11.492 -4.126 1.00 4.51 C ATOM 1375 C PRO A 89 -10.123 -12.421 -2.958 1.00 4.91 C ATOM 1376 O PRO A 89 -9.428 -13.419 -2.741 1.00 5.20 O ATOM 1377 CB PRO A 89 -9.572 -12.307 -5.404 1.00 5.05 C ATOM 1378 CG PRO A 89 -8.398 -11.672 -6.067 1.00 4.93 C ATOM 1379 CD PRO A 89 -7.562 -11.084 -4.968 1.00 4.22 C ATOM 0 HA PRO A 89 -10.658 -10.812 -4.200 1.00 4.51 H new ATOM 0 HB2 PRO A 89 -9.373 -13.353 -5.171 1.00 5.05 H new ATOM 0 HB3 PRO A 89 -10.448 -12.285 -6.052 1.00 5.05 H new ATOM 0 HG2 PRO A 89 -7.829 -12.406 -6.638 1.00 4.93 H new ATOM 0 HG3 PRO A 89 -8.717 -10.901 -6.768 1.00 4.93 H new ATOM 0 HD2 PRO A 89 -6.812 -11.790 -4.611 1.00 4.22 H new ATOM 0 HD3 PRO A 89 -7.028 -10.194 -5.301 1.00 4.22 H new ATOM 1387 N GLY A 90 -11.153 -12.075 -2.200 1.00 5.15 N ATOM 1388 CA GLY A 90 -11.554 -12.891 -1.073 1.00 5.78 C ATOM 1389 C GLY A 90 -12.481 -14.015 -1.487 1.00 6.35 C ATOM 1390 O GLY A 90 -12.034 -15.143 -1.691 1.00 6.50 O ATOM 0 H GLY A 90 -11.720 -11.240 -2.346 1.00 5.15 H new ATOM 0 HA2 GLY A 90 -10.668 -13.309 -0.595 1.00 5.78 H new ATOM 0 HA3 GLY A 90 -12.051 -12.266 -0.331 1.00 5.78 H new ATOM 1394 N PRO A 91 -13.784 -13.736 -1.621 1.00 6.96 N ATOM 1395 CA PRO A 91 -14.758 -14.718 -2.097 1.00 7.73 C ATOM 1396 C PRO A 91 -14.593 -14.974 -3.588 1.00 7.82 C ATOM 1397 O PRO A 91 -13.938 -14.196 -4.286 1.00 7.67 O ATOM 1398 CB PRO A 91 -16.101 -14.047 -1.817 1.00 8.43 C ATOM 1399 CG PRO A 91 -15.808 -12.590 -1.855 1.00 8.21 C ATOM 1400 CD PRO A 91 -14.412 -12.436 -1.320 1.00 7.23 C ATOM 0 HA PRO A 91 -14.650 -15.688 -1.612 1.00 7.73 H new ATOM 0 HB2 PRO A 91 -16.845 -14.321 -2.565 1.00 8.43 H new ATOM 0 HB3 PRO A 91 -16.499 -14.346 -0.847 1.00 8.43 H new ATOM 0 HG2 PRO A 91 -15.882 -12.203 -2.871 1.00 8.21 H new ATOM 0 HG3 PRO A 91 -16.522 -12.032 -1.249 1.00 8.21 H new ATOM 0 HD2 PRO A 91 -13.885 -11.614 -1.804 1.00 7.23 H new ATOM 0 HD3 PRO A 91 -14.413 -12.228 -0.250 1.00 7.23 H new ATOM 1408 N SER A 92 -15.180 -16.058 -4.070 1.00 8.30 N ATOM 1409 CA SER A 92 -15.107 -16.404 -5.478 1.00 8.68 C ATOM 1410 C SER A 92 -15.744 -15.304 -6.325 1.00 9.34 C ATOM 1411 O SER A 92 -16.935 -15.012 -6.181 1.00 9.92 O ATOM 1412 CB SER A 92 -15.811 -17.738 -5.734 1.00 9.23 C ATOM 1413 OG SER A 92 -15.680 -18.132 -7.088 1.00 9.34 O ATOM 0 H SER A 92 -15.715 -16.716 -3.502 1.00 8.30 H new ATOM 0 HA SER A 92 -14.058 -16.502 -5.758 1.00 8.68 H new ATOM 0 HB2 SER A 92 -15.388 -18.506 -5.086 1.00 9.23 H new ATOM 0 HB3 SER A 92 -16.867 -17.651 -5.478 1.00 9.23 H new ATOM 0 HG SER A 92 -15.224 -18.998 -7.134 1.00 9.34 H new ATOM 1419 N PRO A 93 -14.955 -14.673 -7.211 1.00 9.44 N ATOM 1420 CA PRO A 93 -15.439 -13.610 -8.099 1.00 10.20 C ATOM 1421 C PRO A 93 -16.345 -14.143 -9.206 1.00 10.96 C ATOM 1422 O PRO A 93 -16.901 -13.377 -9.995 1.00 11.69 O ATOM 1423 CB PRO A 93 -14.155 -13.024 -8.705 1.00 10.25 C ATOM 1424 CG PRO A 93 -13.036 -13.585 -7.895 1.00 9.68 C ATOM 1425 CD PRO A 93 -13.518 -14.913 -7.400 1.00 9.05 C ATOM 0 HA PRO A 93 -16.042 -12.881 -7.557 1.00 10.20 H new ATOM 0 HB2 PRO A 93 -14.056 -13.300 -9.755 1.00 10.25 H new ATOM 0 HB3 PRO A 93 -14.163 -11.935 -8.661 1.00 10.25 H new ATOM 0 HG2 PRO A 93 -12.134 -13.696 -8.497 1.00 9.68 H new ATOM 0 HG3 PRO A 93 -12.785 -12.925 -7.064 1.00 9.68 H new ATOM 0 HD2 PRO A 93 -13.330 -15.709 -8.121 1.00 9.05 H new ATOM 0 HD3 PRO A 93 -13.028 -15.203 -6.470 1.00 9.05 H new ATOM 1433 N ASP A 94 -16.488 -15.459 -9.264 1.00 10.89 N ATOM 1434 CA ASP A 94 -17.324 -16.092 -10.269 1.00 11.70 C ATOM 1435 C ASP A 94 -18.498 -16.803 -9.608 1.00 11.90 C ATOM 1436 O ASP A 94 -18.309 -17.698 -8.784 1.00 11.65 O ATOM 1437 CB ASP A 94 -16.506 -17.084 -11.091 1.00 11.90 C ATOM 1438 CG ASP A 94 -17.339 -17.774 -12.145 1.00 12.41 C ATOM 1439 OD1 ASP A 94 -17.815 -18.894 -11.886 1.00 12.66 O ATOM 1440 OD2 ASP A 94 -17.527 -17.198 -13.236 1.00 12.71 O ATOM 0 H ASP A 94 -16.033 -16.110 -8.624 1.00 10.89 H new ATOM 0 HA ASP A 94 -17.710 -15.320 -10.935 1.00 11.70 H new ATOM 0 HB2 ASP A 94 -15.678 -16.561 -11.569 1.00 11.90 H new ATOM 0 HB3 ASP A 94 -16.071 -17.831 -10.428 1.00 11.90 H new ATOM 1445 N PRO A 95 -19.732 -16.400 -9.959 1.00 12.53 N ATOM 1446 CA PRO A 95 -20.955 -16.956 -9.367 1.00 12.95 C ATOM 1447 C PRO A 95 -21.094 -18.458 -9.584 1.00 13.54 C ATOM 1448 O PRO A 95 -21.678 -19.162 -8.759 1.00 13.87 O ATOM 1449 CB PRO A 95 -22.084 -16.213 -10.088 1.00 13.63 C ATOM 1450 CG PRO A 95 -21.452 -14.982 -10.636 1.00 13.65 C ATOM 1451 CD PRO A 95 -20.034 -15.353 -10.952 1.00 13.03 C ATOM 0 HA PRO A 95 -20.960 -16.826 -8.285 1.00 12.95 H new ATOM 0 HB2 PRO A 95 -22.512 -16.823 -10.883 1.00 13.63 H new ATOM 0 HB3 PRO A 95 -22.895 -15.968 -9.402 1.00 13.63 H new ATOM 0 HG2 PRO A 95 -21.974 -14.639 -11.529 1.00 13.65 H new ATOM 0 HG3 PRO A 95 -21.491 -14.168 -9.912 1.00 13.65 H new ATOM 0 HD2 PRO A 95 -19.932 -15.724 -11.972 1.00 13.03 H new ATOM 0 HD3 PRO A 95 -19.363 -14.500 -10.855 1.00 13.03 H new ATOM 1459 N LEU A 96 -20.546 -18.941 -10.687 1.00 13.80 N ATOM 1460 CA LEU A 96 -20.636 -20.354 -11.032 1.00 14.53 C ATOM 1461 C LEU A 96 -19.704 -21.169 -10.144 1.00 14.23 C ATOM 1462 O LEU A 96 -20.087 -22.217 -9.624 1.00 14.80 O ATOM 1463 CB LEU A 96 -20.280 -20.574 -12.507 1.00 15.02 C ATOM 1464 CG LEU A 96 -21.092 -19.762 -13.525 1.00 15.61 C ATOM 1465 CD1 LEU A 96 -20.464 -19.876 -14.904 1.00 16.37 C ATOM 1466 CD2 LEU A 96 -22.543 -20.229 -13.571 1.00 15.64 C ATOM 0 H LEU A 96 -20.032 -18.375 -11.362 1.00 13.80 H new ATOM 0 HA LEU A 96 -21.662 -20.684 -10.871 1.00 14.53 H new ATOM 0 HB2 LEU A 96 -19.224 -20.339 -12.644 1.00 15.02 H new ATOM 0 HB3 LEU A 96 -20.403 -21.633 -12.736 1.00 15.02 H new ATOM 0 HG LEU A 96 -21.082 -18.718 -13.211 1.00 15.61 H new ATOM 0 HD11 LEU A 96 -21.048 -19.296 -15.619 1.00 16.37 H new ATOM 0 HD12 LEU A 96 -19.444 -19.492 -14.872 1.00 16.37 H new ATOM 0 HD13 LEU A 96 -20.449 -20.922 -15.211 1.00 16.37 H new ATOM 0 HD21 LEU A 96 -23.093 -19.635 -14.301 1.00 15.64 H new ATOM 0 HD22 LEU A 96 -22.578 -21.280 -13.858 1.00 15.64 H new ATOM 0 HD23 LEU A 96 -22.996 -20.106 -12.587 1.00 15.64 H new ATOM 1478 N ASP A 97 -18.485 -20.672 -9.971 1.00 13.43 N ATOM 1479 CA ASP A 97 -17.502 -21.300 -9.088 1.00 13.21 C ATOM 1480 C ASP A 97 -17.972 -21.243 -7.638 1.00 13.07 C ATOM 1481 O ASP A 97 -17.669 -22.128 -6.836 1.00 13.44 O ATOM 1482 CB ASP A 97 -16.146 -20.602 -9.234 1.00 12.47 C ATOM 1483 CG ASP A 97 -15.065 -21.203 -8.353 1.00 12.63 C ATOM 1484 OD1 ASP A 97 -14.449 -22.212 -8.756 1.00 12.59 O ATOM 1485 OD2 ASP A 97 -14.840 -20.684 -7.240 1.00 12.95 O ATOM 0 H ASP A 97 -18.149 -19.828 -10.434 1.00 13.43 H new ATOM 0 HA ASP A 97 -17.394 -22.346 -9.374 1.00 13.21 H new ATOM 0 HB2 ASP A 97 -15.828 -20.655 -10.275 1.00 12.47 H new ATOM 0 HB3 ASP A 97 -16.260 -19.546 -8.989 1.00 12.47 H new ATOM 1490 N ALA A 98 -18.718 -20.195 -7.310 1.00 12.70 N ATOM 1491 CA ALA A 98 -19.290 -20.043 -5.979 1.00 12.73 C ATOM 1492 C ALA A 98 -20.401 -21.065 -5.743 1.00 13.69 C ATOM 1493 O ALA A 98 -20.661 -21.468 -4.607 1.00 14.00 O ATOM 1494 CB ALA A 98 -19.816 -18.632 -5.791 1.00 12.29 C ATOM 0 H ALA A 98 -18.941 -19.434 -7.952 1.00 12.70 H new ATOM 0 HA ALA A 98 -18.504 -20.224 -5.246 1.00 12.73 H new ATOM 0 HB1 ALA A 98 -20.241 -18.532 -4.792 1.00 12.29 H new ATOM 0 HB2 ALA A 98 -18.999 -17.920 -5.911 1.00 12.29 H new ATOM 0 HB3 ALA A 98 -20.586 -18.429 -6.535 1.00 12.29 H new ATOM 1500 N GLN A 99 -21.063 -21.468 -6.821 1.00 14.27 N ATOM 1501 CA GLN A 99 -22.076 -22.515 -6.750 1.00 15.26 C ATOM 1502 C GLN A 99 -21.413 -23.886 -6.758 1.00 15.81 C ATOM 1503 O GLN A 99 -21.706 -24.737 -5.921 1.00 16.48 O ATOM 1504 CB GLN A 99 -23.051 -22.411 -7.924 1.00 15.79 C ATOM 1505 CG GLN A 99 -23.969 -21.201 -7.863 1.00 16.33 C ATOM 1506 CD GLN A 99 -24.906 -21.235 -6.672 1.00 16.76 C ATOM 1507 OE1 GLN A 99 -25.288 -22.305 -6.194 1.00 17.04 O ATOM 1508 NE2 GLN A 99 -25.288 -20.066 -6.189 1.00 16.93 N ATOM 0 H GLN A 99 -20.917 -21.086 -7.755 1.00 14.27 H new ATOM 0 HA GLN A 99 -22.632 -22.386 -5.822 1.00 15.26 H new ATOM 0 HB2 GLN A 99 -22.482 -22.375 -8.853 1.00 15.79 H new ATOM 0 HB3 GLN A 99 -23.660 -23.314 -7.958 1.00 15.79 H new ATOM 0 HG2 GLN A 99 -23.365 -20.294 -7.819 1.00 16.33 H new ATOM 0 HG3 GLN A 99 -24.556 -21.149 -8.780 1.00 16.33 H new ATOM 0 HE21 GLN A 99 -24.949 -19.203 -6.614 1.00 16.93 H new ATOM 0 HE22 GLN A 99 -25.922 -20.026 -5.391 1.00 16.93 H new ATOM 1517 N LEU A 100 -20.505 -24.084 -7.703 1.00 15.62 N ATOM 1518 CA LEU A 100 -19.776 -25.337 -7.820 1.00 16.22 C ATOM 1519 C LEU A 100 -18.530 -25.289 -6.939 1.00 16.11 C ATOM 1520 O LEU A 100 -17.408 -25.534 -7.387 1.00 16.32 O ATOM 1521 CB LEU A 100 -19.407 -25.596 -9.288 1.00 16.26 C ATOM 1522 CG LEU A 100 -18.772 -26.958 -9.583 1.00 16.59 C ATOM 1523 CD1 LEU A 100 -19.709 -28.089 -9.185 1.00 16.78 C ATOM 1524 CD2 LEU A 100 -18.408 -27.061 -11.056 1.00 17.18 C ATOM 0 H LEU A 100 -20.255 -23.387 -8.404 1.00 15.62 H new ATOM 0 HA LEU A 100 -20.406 -26.159 -7.481 1.00 16.22 H new ATOM 0 HB2 LEU A 100 -20.308 -25.497 -9.893 1.00 16.26 H new ATOM 0 HB3 LEU A 100 -18.718 -24.816 -9.613 1.00 16.26 H new ATOM 0 HG LEU A 100 -17.861 -27.048 -8.991 1.00 16.59 H new ATOM 0 HD11 LEU A 100 -19.237 -29.047 -9.404 1.00 16.78 H new ATOM 0 HD12 LEU A 100 -19.923 -28.025 -8.118 1.00 16.78 H new ATOM 0 HD13 LEU A 100 -20.639 -28.006 -9.748 1.00 16.78 H new ATOM 0 HD21 LEU A 100 -17.958 -28.034 -11.252 1.00 17.18 H new ATOM 0 HD22 LEU A 100 -19.307 -26.949 -11.662 1.00 17.18 H new ATOM 0 HD23 LEU A 100 -17.698 -26.274 -11.311 1.00 17.18 H new ATOM 1536 N ARG A 101 -18.746 -24.949 -5.678 1.00 15.92 N ATOM 1537 CA ARG A 101 -17.668 -24.855 -4.709 1.00 15.95 C ATOM 1538 C ARG A 101 -17.225 -26.243 -4.274 1.00 16.67 C ATOM 1539 O ARG A 101 -16.039 -26.571 -4.317 1.00 16.96 O ATOM 1540 CB ARG A 101 -18.129 -24.044 -3.498 1.00 15.72 C ATOM 1541 CG ARG A 101 -17.132 -24.015 -2.352 1.00 15.56 C ATOM 1542 CD ARG A 101 -17.701 -23.267 -1.164 1.00 15.26 C ATOM 1543 NE ARG A 101 -16.834 -23.336 0.011 1.00 15.31 N ATOM 1544 CZ ARG A 101 -17.132 -22.769 1.178 1.00 15.26 C ATOM 1545 NH1 ARG A 101 -18.252 -22.067 1.307 1.00 15.16 N ATOM 1546 NH2 ARG A 101 -16.306 -22.890 2.211 1.00 15.49 N ATOM 0 H ARG A 101 -19.668 -24.732 -5.300 1.00 15.92 H new ATOM 0 HA ARG A 101 -16.820 -24.351 -5.173 1.00 15.95 H new ATOM 0 HB2 ARG A 101 -18.331 -23.021 -3.815 1.00 15.72 H new ATOM 0 HB3 ARG A 101 -19.070 -24.457 -3.135 1.00 15.72 H new ATOM 0 HG2 ARG A 101 -16.878 -25.034 -2.059 1.00 15.56 H new ATOM 0 HG3 ARG A 101 -16.208 -23.538 -2.679 1.00 15.56 H new ATOM 0 HD2 ARG A 101 -17.855 -22.223 -1.437 1.00 15.26 H new ATOM 0 HD3 ARG A 101 -18.679 -23.679 -0.914 1.00 15.26 H new ATOM 0 HE ARG A 101 -15.954 -23.846 -0.067 1.00 15.31 H new ATOM 0 HH11 ARG A 101 -18.883 -21.963 0.512 1.00 15.16 H new ATOM 0 HH12 ARG A 101 -18.481 -21.632 2.201 1.00 15.16 H new ATOM 0 HH21 ARG A 101 -15.440 -23.419 2.112 1.00 15.49 H new ATOM 0 HH22 ARG A 101 -16.538 -22.454 3.103 1.00 15.49 H new ATOM 1560 N ASP A 102 -18.187 -27.056 -3.872 1.00 17.07 N ATOM 1561 CA ASP A 102 -17.901 -28.399 -3.402 1.00 17.84 C ATOM 1562 C ASP A 102 -18.147 -29.406 -4.511 1.00 18.30 C ATOM 1563 O ASP A 102 -17.214 -30.041 -5.003 1.00 18.98 O ATOM 1564 CB ASP A 102 -18.761 -28.743 -2.184 1.00 18.18 C ATOM 1565 CG ASP A 102 -18.492 -27.837 -0.998 1.00 18.44 C ATOM 1566 OD1 ASP A 102 -17.531 -28.104 -0.242 1.00 18.58 O ATOM 1567 OD2 ASP A 102 -19.250 -26.866 -0.807 1.00 18.62 O ATOM 0 H ASP A 102 -19.176 -26.807 -3.862 1.00 17.07 H new ATOM 0 HA ASP A 102 -16.852 -28.441 -3.108 1.00 17.84 H new ATOM 0 HB2 ASP A 102 -19.814 -28.673 -2.457 1.00 18.18 H new ATOM 0 HB3 ASP A 102 -18.575 -29.777 -1.894 1.00 18.18 H new ATOM 1572 N LEU A 103 -19.406 -29.529 -4.905 1.00 18.02 N ATOM 1573 CA LEU A 103 -19.805 -30.439 -5.971 1.00 18.52 C ATOM 1574 C LEU A 103 -21.307 -30.346 -6.210 1.00 18.60 C ATOM 1575 O LEU A 103 -21.749 -29.896 -7.266 1.00 18.46 O ATOM 1576 CB LEU A 103 -19.428 -31.887 -5.631 1.00 18.53 C ATOM 1577 CG LEU A 103 -19.759 -32.919 -6.712 1.00 18.76 C ATOM 1578 CD1 LEU A 103 -18.968 -32.645 -7.982 1.00 18.95 C ATOM 1579 CD2 LEU A 103 -19.483 -34.324 -6.203 1.00 19.25 C ATOM 0 H LEU A 103 -20.179 -29.003 -4.497 1.00 18.02 H new ATOM 0 HA LEU A 103 -19.275 -30.145 -6.877 1.00 18.52 H new ATOM 0 HB2 LEU A 103 -18.358 -31.928 -5.428 1.00 18.53 H new ATOM 0 HB3 LEU A 103 -19.939 -32.172 -4.711 1.00 18.53 H new ATOM 0 HG LEU A 103 -20.820 -32.838 -6.950 1.00 18.76 H new ATOM 0 HD11 LEU A 103 -19.220 -33.391 -8.736 1.00 18.95 H new ATOM 0 HD12 LEU A 103 -19.215 -31.652 -8.358 1.00 18.95 H new ATOM 0 HD13 LEU A 103 -17.901 -32.695 -7.764 1.00 18.95 H new ATOM 0 HD21 LEU A 103 -19.723 -35.047 -6.983 1.00 19.25 H new ATOM 0 HD22 LEU A 103 -18.430 -34.414 -5.936 1.00 19.25 H new ATOM 0 HD23 LEU A 103 -20.098 -34.520 -5.325 1.00 19.25 H new ATOM 1591 N ARG A 104 -22.084 -30.760 -5.215 1.00 18.97 N ATOM 1592 CA ARG A 104 -23.537 -30.796 -5.331 1.00 19.25 C ATOM 1593 C ARG A 104 -24.162 -31.058 -3.966 1.00 20.06 C ATOM 1594 O ARG A 104 -23.481 -30.946 -2.946 1.00 20.50 O ATOM 1595 CB ARG A 104 -23.958 -31.884 -6.327 1.00 19.28 C ATOM 1596 CG ARG A 104 -23.482 -33.281 -5.954 1.00 19.23 C ATOM 1597 CD ARG A 104 -23.705 -34.261 -7.091 1.00 19.25 C ATOM 1598 NE ARG A 104 -23.249 -35.613 -6.760 1.00 19.28 N ATOM 1599 CZ ARG A 104 -22.582 -36.405 -7.604 1.00 19.27 C ATOM 1600 NH1 ARG A 104 -22.265 -35.970 -8.817 1.00 19.22 N ATOM 1601 NH2 ARG A 104 -22.231 -37.631 -7.233 1.00 19.43 N ATOM 0 H ARG A 104 -21.728 -31.077 -4.313 1.00 18.97 H new ATOM 0 HA ARG A 104 -23.888 -29.832 -5.698 1.00 19.25 H new ATOM 0 HB2 ARG A 104 -25.045 -31.890 -6.405 1.00 19.28 H new ATOM 0 HB3 ARG A 104 -23.569 -31.630 -7.313 1.00 19.28 H new ATOM 0 HG2 ARG A 104 -22.423 -33.251 -5.700 1.00 19.23 H new ATOM 0 HG3 ARG A 104 -24.013 -33.624 -5.066 1.00 19.23 H new ATOM 0 HD2 ARG A 104 -24.766 -34.289 -7.340 1.00 19.25 H new ATOM 0 HD3 ARG A 104 -23.178 -33.910 -7.978 1.00 19.25 H new ATOM 0 HE ARG A 104 -23.453 -35.972 -5.827 1.00 19.28 H new ATOM 0 HH11 ARG A 104 -22.531 -35.029 -9.107 1.00 19.22 H new ATOM 0 HH12 ARG A 104 -21.756 -36.577 -9.459 1.00 19.22 H new ATOM 0 HH21 ARG A 104 -22.471 -37.970 -6.301 1.00 19.43 H new ATOM 0 HH22 ARG A 104 -21.722 -38.233 -7.880 1.00 19.43 H new ATOM 1615 N GLN A 105 -25.454 -31.391 -3.958 1.00 20.36 N ATOM 1616 CA GLN A 105 -26.167 -31.733 -2.727 1.00 21.23 C ATOM 1617 C GLN A 105 -26.277 -30.501 -1.825 1.00 21.37 C ATOM 1618 O GLN A 105 -26.171 -30.587 -0.599 1.00 21.50 O ATOM 1619 CB GLN A 105 -25.448 -32.886 -2.007 1.00 21.68 C ATOM 1620 CG GLN A 105 -26.263 -33.553 -0.911 1.00 21.75 C ATOM 1621 CD GLN A 105 -25.486 -34.642 -0.198 1.00 22.27 C ATOM 1622 OE1 GLN A 105 -24.602 -35.280 -0.776 1.00 22.48 O ATOM 1623 NE2 GLN A 105 -25.810 -34.864 1.064 1.00 22.61 N ATOM 0 H GLN A 105 -26.031 -31.431 -4.798 1.00 20.36 H new ATOM 0 HA GLN A 105 -27.176 -32.063 -2.974 1.00 21.23 H new ATOM 0 HB2 GLN A 105 -25.169 -33.639 -2.744 1.00 21.68 H new ATOM 0 HB3 GLN A 105 -24.523 -32.506 -1.574 1.00 21.68 H new ATOM 0 HG2 GLN A 105 -26.578 -32.801 -0.187 1.00 21.75 H new ATOM 0 HG3 GLN A 105 -27.169 -33.979 -1.343 1.00 21.75 H new ATOM 0 HE21 GLN A 105 -26.547 -34.314 1.506 1.00 22.61 H new ATOM 0 HE22 GLN A 105 -25.323 -35.585 1.596 1.00 22.61 H new ATOM 1632 N LEU A 106 -26.478 -29.349 -2.448 1.00 21.46 N ATOM 1633 CA LEU A 106 -26.595 -28.096 -1.720 1.00 21.72 C ATOM 1634 C LEU A 106 -28.038 -27.608 -1.737 1.00 22.33 C ATOM 1635 O LEU A 106 -28.697 -27.655 -0.678 1.00 22.57 O ATOM 1636 CB LEU A 106 -25.670 -27.038 -2.328 1.00 21.49 C ATOM 1637 CG LEU A 106 -25.700 -25.673 -1.637 1.00 21.39 C ATOM 1638 CD1 LEU A 106 -25.208 -25.784 -0.202 1.00 21.44 C ATOM 1639 CD2 LEU A 106 -24.864 -24.669 -2.413 1.00 21.35 C ATOM 1640 OXT LEU A 106 -28.518 -27.215 -2.820 1.00 22.66 O ATOM 0 H LEU A 106 -26.564 -29.257 -3.460 1.00 21.46 H new ATOM 0 HA LEU A 106 -26.296 -28.266 -0.686 1.00 21.72 H new ATOM 0 HB2 LEU A 106 -24.648 -27.416 -2.306 1.00 21.49 H new ATOM 0 HB3 LEU A 106 -25.938 -26.903 -3.376 1.00 21.49 H new ATOM 0 HG LEU A 106 -26.732 -25.322 -1.615 1.00 21.39 H new ATOM 0 HD11 LEU A 106 -25.238 -24.802 0.270 1.00 21.44 H new ATOM 0 HD12 LEU A 106 -25.849 -26.472 0.350 1.00 21.44 H new ATOM 0 HD13 LEU A 106 -24.184 -26.158 -0.196 1.00 21.44 H new ATOM 0 HD21 LEU A 106 -24.895 -23.703 -1.909 1.00 21.35 H new ATOM 0 HD22 LEU A 106 -23.833 -25.018 -2.466 1.00 21.35 H new ATOM 0 HD23 LEU A 106 -25.264 -24.565 -3.422 1.00 21.35 H new TER 1652 LEU A 106