USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 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 37 THR OG1 : rot 99:sc= -0.326 USER MOD Set 1.2: A 77 SER OG : rot 65:sc= 1.36 USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= -0.8 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 176:sc=-0.00328 (180deg=-0.0127) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.033) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0456 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00957 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.684 K(o=-0.68,f=-2.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -79:sc= 0.967 USER MOD Single : A 70 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.0072 K(o=-0.0072,f=-0.65) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 80:sc= 0.27 USER MOD Single : A 84 MET CE :methyl 169:sc= -0.0354 (180deg=-0.204) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 90 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -0.946 8.447 11.227 1.00 0.00 N ATOM 2 CA MET A 15 -0.185 8.225 10.002 1.00 0.00 C ATOM 3 C MET A 15 -0.792 7.106 9.190 1.00 0.00 C ATOM 4 O MET A 15 -0.921 7.271 7.989 1.00 0.00 O ATOM 5 CB MET A 15 1.320 7.943 10.256 1.00 0.00 C ATOM 6 CG MET A 15 1.829 8.754 11.473 1.00 0.00 C ATOM 7 SD MET A 15 3.651 8.776 11.494 1.00 0.00 S ATOM 8 CE MET A 15 3.910 9.218 13.240 1.00 0.00 C ATOM 0 HA MET A 15 -0.241 9.157 9.439 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.471 6.878 10.433 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.899 8.204 9.370 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.446 9.773 11.426 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.452 8.314 12.396 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.979 9.279 13.445 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.445 10.183 13.444 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.461 8.457 13.878 1.00 0.00 H new ATOM 18 N ALA A 16 -1.196 5.977 9.823 1.00 0.00 N ATOM 19 CA ALA A 16 -1.845 4.904 9.083 1.00 0.00 C ATOM 20 C ALA A 16 -2.975 5.389 8.180 1.00 0.00 C ATOM 21 O ALA A 16 -3.004 4.893 7.063 1.00 0.00 O ATOM 22 CB ALA A 16 -2.339 3.766 10.005 1.00 0.00 C ATOM 0 H ALA A 16 -1.081 5.802 10.821 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.067 4.501 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.815 2.991 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.492 3.339 10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.059 4.164 10.720 1.00 0.00 H new ATOM 28 N PRO A 17 -3.895 6.309 8.549 1.00 0.00 N ATOM 29 CA PRO A 17 -4.904 6.729 7.574 1.00 0.00 C ATOM 30 C PRO A 17 -4.326 7.582 6.467 1.00 0.00 C ATOM 31 O PRO A 17 -4.959 7.652 5.423 1.00 0.00 O ATOM 32 CB PRO A 17 -5.940 7.419 8.492 1.00 0.00 C ATOM 33 CG PRO A 17 -5.162 7.889 9.745 1.00 0.00 C ATOM 34 CD PRO A 17 -3.956 6.927 9.873 1.00 0.00 C ATOM 0 HA PRO A 17 -5.350 5.925 6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.408 8.263 7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.738 6.729 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.830 8.921 9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.791 7.849 10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.036 7.460 10.113 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.110 6.187 10.658 1.00 0.00 H new ATOM 42 N ALA A 18 -3.127 8.188 6.651 1.00 0.00 N ATOM 43 CA ALA A 18 -2.447 8.838 5.532 1.00 0.00 C ATOM 44 C ALA A 18 -1.360 7.969 4.938 1.00 0.00 C ATOM 45 O ALA A 18 -0.787 8.393 3.945 1.00 0.00 O ATOM 46 CB ALA A 18 -1.790 10.149 6.034 1.00 0.00 C ATOM 0 H ALA A 18 -2.632 8.234 7.542 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.195 9.029 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.280 10.641 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.558 10.812 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.069 9.918 6.818 1.00 0.00 H new ATOM 52 N LEU A 19 -1.021 6.784 5.513 1.00 0.00 N ATOM 53 CA LEU A 19 0.121 6.025 5.000 1.00 0.00 C ATOM 54 C LEU A 19 -0.401 5.423 3.715 1.00 0.00 C ATOM 55 O LEU A 19 0.023 5.921 2.685 1.00 0.00 O ATOM 56 CB LEU A 19 0.739 5.036 6.033 1.00 0.00 C ATOM 57 CG LEU A 19 2.275 4.769 5.909 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.681 4.471 4.447 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.167 5.904 6.489 1.00 0.00 C ATOM 0 H LEU A 19 -1.509 6.357 6.301 1.00 0.00 H new ATOM 0 HA LEU A 19 0.997 6.643 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.539 5.418 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.219 4.082 5.946 1.00 0.00 H new ATOM 0 HG LEU A 19 2.457 3.887 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.755 4.290 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.148 3.588 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.427 5.324 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.217 5.641 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.960 6.835 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.949 6.032 7.549 1.00 0.00 H new ATOM 71 N VAL A 20 -1.359 4.454 3.724 1.00 0.00 N ATOM 72 CA VAL A 20 -1.929 3.952 2.462 1.00 0.00 C ATOM 73 C VAL A 20 -2.123 5.052 1.438 1.00 0.00 C ATOM 74 O VAL A 20 -1.923 4.814 0.256 1.00 0.00 O ATOM 75 CB VAL A 20 -3.272 3.177 2.628 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.364 4.041 3.310 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.819 2.658 1.262 1.00 0.00 C ATOM 0 H VAL A 20 -1.737 4.023 4.568 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.181 3.244 2.105 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.043 2.325 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.281 3.460 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.023 4.344 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.557 4.927 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.755 2.124 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.994 3.503 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.091 1.984 0.811 1.00 0.00 H new ATOM 87 N ALA A 21 -2.518 6.273 1.870 1.00 0.00 N ATOM 88 CA ALA A 21 -2.728 7.340 0.899 1.00 0.00 C ATOM 89 C ALA A 21 -1.413 7.710 0.234 1.00 0.00 C ATOM 90 O ALA A 21 -1.386 7.939 -0.965 1.00 0.00 O ATOM 91 CB ALA A 21 -3.387 8.598 1.516 1.00 0.00 C ATOM 0 H ALA A 21 -2.688 6.525 2.844 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.423 6.954 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.517 9.356 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.359 8.333 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.749 8.992 2.307 1.00 0.00 H new ATOM 97 N ALA A 22 -0.307 7.759 1.014 1.00 0.00 N ATOM 98 CA ALA A 22 1.009 8.120 0.486 1.00 0.00 C ATOM 99 C ALA A 22 1.455 7.421 -0.788 1.00 0.00 C ATOM 100 O ALA A 22 2.354 7.948 -1.428 1.00 0.00 O ATOM 101 CB ALA A 22 2.123 7.879 1.540 1.00 0.00 C ATOM 0 H ALA A 22 -0.311 7.551 2.012 1.00 0.00 H new ATOM 0 HA ALA A 22 0.873 9.173 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.089 8.156 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.925 8.486 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.138 6.825 1.819 1.00 0.00 H new ATOM 107 N PHE A 23 0.878 6.256 -1.177 1.00 0.00 N ATOM 108 CA PHE A 23 1.299 5.560 -2.406 1.00 0.00 C ATOM 109 C PHE A 23 0.082 4.999 -3.122 1.00 0.00 C ATOM 110 O PHE A 23 -0.096 5.308 -4.290 1.00 0.00 O ATOM 111 CB PHE A 23 2.360 4.481 -2.074 1.00 0.00 C ATOM 112 CG PHE A 23 3.324 3.951 -3.151 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.846 4.753 -4.185 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.734 2.619 -3.063 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.835 4.242 -5.023 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.632 2.077 -3.991 1.00 0.00 C ATOM 117 CZ PHE A 23 5.143 2.877 -5.012 1.00 0.00 C ATOM 0 H PHE A 23 0.131 5.789 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 23 1.775 6.263 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.974 4.877 -1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.824 3.620 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.481 5.759 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.353 1.997 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.369 4.906 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.928 1.041 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.767 2.450 -5.783 1.00 0.00 H new ATOM 127 N GLY A 24 -0.786 4.194 -2.456 1.00 0.00 N ATOM 128 CA GLY A 24 -2.041 3.782 -3.083 1.00 0.00 C ATOM 129 C GLY A 24 -2.986 4.941 -3.319 1.00 0.00 C ATOM 130 O GLY A 24 -3.773 4.857 -4.250 1.00 0.00 O ATOM 0 H GLY A 24 -0.636 3.833 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.824 3.296 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.532 3.042 -2.451 1.00 0.00 H new ATOM 134 N GLY A 25 -2.933 6.022 -2.501 1.00 0.00 N ATOM 135 CA GLY A 25 -3.772 7.194 -2.771 1.00 0.00 C ATOM 136 C GLY A 25 -3.129 8.162 -3.736 1.00 0.00 C ATOM 137 O GLY A 25 -3.695 9.221 -3.965 1.00 0.00 O ATOM 0 H GLY A 25 -2.336 6.098 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.729 6.865 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.983 7.708 -1.833 1.00 0.00 H new ATOM 141 N LYS A 26 -1.956 7.818 -4.317 1.00 0.00 N ATOM 142 CA LYS A 26 -1.361 8.669 -5.335 1.00 0.00 C ATOM 143 C LYS A 26 -1.999 8.158 -6.611 1.00 0.00 C ATOM 144 O LYS A 26 -1.357 7.440 -7.363 1.00 0.00 O ATOM 145 CB LYS A 26 0.182 8.521 -5.336 1.00 0.00 C ATOM 146 CG LYS A 26 0.872 8.738 -3.963 1.00 0.00 C ATOM 147 CD LYS A 26 0.797 10.173 -3.362 1.00 0.00 C ATOM 148 CE LYS A 26 2.184 10.793 -2.985 1.00 0.00 C ATOM 149 NZ LYS A 26 2.125 11.508 -1.688 1.00 0.00 N ATOM 0 H LYS A 26 -1.425 6.976 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.534 9.735 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.434 7.524 -5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.598 9.233 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.430 8.045 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.923 8.465 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.304 10.828 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.170 10.147 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.934 10.004 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.500 11.483 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.060 11.906 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.426 12.276 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.847 10.844 -0.938 1.00 0.00 H new ATOM 163 N GLU A 27 -3.289 8.485 -6.866 1.00 0.00 N ATOM 164 CA GLU A 27 -3.953 7.913 -8.042 1.00 0.00 C ATOM 165 C GLU A 27 -3.161 8.235 -9.296 1.00 0.00 C ATOM 166 O GLU A 27 -3.186 7.450 -10.231 1.00 0.00 O ATOM 167 CB GLU A 27 -5.446 8.336 -8.178 1.00 0.00 C ATOM 168 CG GLU A 27 -5.646 9.597 -9.062 1.00 0.00 C ATOM 169 CD GLU A 27 -7.081 10.063 -9.004 1.00 0.00 C ATOM 170 OE1 GLU A 27 -7.980 9.297 -9.448 1.00 0.00 O ATOM 171 OE2 GLU A 27 -7.321 11.198 -8.508 1.00 0.00 O ATOM 0 H GLU A 27 -3.860 9.112 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.973 6.832 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.014 7.508 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.855 8.527 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.985 10.394 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.372 9.373 -10.093 1.00 0.00 H new ATOM 178 N ASN A 28 -2.438 9.385 -9.306 1.00 0.00 N ATOM 179 CA ASN A 28 -1.571 9.737 -10.435 1.00 0.00 C ATOM 180 C ASN A 28 -0.726 8.570 -10.919 1.00 0.00 C ATOM 181 O ASN A 28 -0.372 8.553 -12.089 1.00 0.00 O ATOM 182 CB ASN A 28 -0.599 10.871 -10.003 1.00 0.00 C ATOM 183 CG ASN A 28 0.397 11.231 -11.083 1.00 0.00 C ATOM 184 OD1 ASN A 28 1.589 11.069 -10.868 1.00 0.00 O ATOM 185 ND2 ASN A 28 -0.064 11.720 -12.256 1.00 0.00 N ATOM 0 H ASN A 28 -2.445 10.069 -8.550 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.228 10.047 -11.247 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.176 11.757 -9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.061 10.561 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.591 11.967 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.067 11.841 -12.399 1.00 0.00 H new ATOM 192 N ILE A 29 -0.395 7.603 -10.030 1.00 0.00 N ATOM 193 CA ILE A 29 0.427 6.443 -10.399 1.00 0.00 C ATOM 194 C ILE A 29 0.256 5.967 -11.840 1.00 0.00 C ATOM 195 O ILE A 29 -0.873 5.877 -12.302 1.00 0.00 O ATOM 196 CB ILE A 29 0.138 5.298 -9.371 1.00 0.00 C ATOM 197 CG1 ILE A 29 0.917 5.415 -8.009 1.00 0.00 C ATOM 198 CG2 ILE A 29 0.266 3.875 -9.990 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.811 6.664 -7.736 1.00 0.00 C ATOM 0 H ILE A 29 -0.689 7.611 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 29 1.471 6.752 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.910 5.447 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.181 5.359 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.552 4.534 -7.920 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.054 3.126 -9.227 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.445 3.770 -10.810 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.279 3.732 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.270 6.575 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.591 6.726 -8.495 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.198 7.565 -7.771 1.00 0.00 H new ATOM 211 N THR A 30 1.375 5.651 -12.553 1.00 0.00 N ATOM 212 CA THR A 30 1.288 5.206 -13.947 1.00 0.00 C ATOM 213 C THR A 30 0.800 3.770 -14.052 1.00 0.00 C ATOM 214 O THR A 30 -0.028 3.509 -14.911 1.00 0.00 O ATOM 215 CB THR A 30 2.618 5.436 -14.733 1.00 0.00 C ATOM 216 OG1 THR A 30 2.417 5.235 -16.146 1.00 0.00 O ATOM 217 CG2 THR A 30 3.782 4.496 -14.331 1.00 0.00 C ATOM 0 H THR A 30 2.324 5.699 -12.181 1.00 0.00 H new ATOM 0 HA THR A 30 0.538 5.834 -14.428 1.00 0.00 H new ATOM 0 HB THR A 30 2.893 6.461 -14.483 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.261 5.385 -16.621 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.662 4.730 -14.930 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.014 4.635 -13.275 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.490 3.460 -14.505 1.00 0.00 H new ATOM 225 N ASN A 31 1.281 2.830 -13.198 1.00 0.00 N ATOM 226 CA ASN A 31 0.835 1.434 -13.260 1.00 0.00 C ATOM 227 C ASN A 31 0.526 0.888 -11.876 1.00 0.00 C ATOM 228 O ASN A 31 1.263 1.201 -10.954 1.00 0.00 O ATOM 229 CB ASN A 31 1.952 0.578 -13.911 1.00 0.00 C ATOM 230 CG ASN A 31 1.930 0.663 -15.420 1.00 0.00 C ATOM 231 OD1 ASN A 31 2.785 1.313 -16.002 1.00 0.00 O ATOM 232 ND2 ASN A 31 0.949 0.007 -16.080 1.00 0.00 N ATOM 0 H ASN A 31 1.970 3.021 -12.470 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.078 1.389 -13.853 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.923 0.911 -13.544 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.835 -0.462 -13.606 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.906 0.045 -17.098 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.252 -0.526 -15.559 1.00 0.00 H new ATOM 239 N LEU A 32 -0.551 0.071 -11.721 1.00 0.00 N ATOM 240 CA LEU A 32 -0.930 -0.464 -10.406 1.00 0.00 C ATOM 241 C LEU A 32 -1.613 -1.801 -10.661 1.00 0.00 C ATOM 242 O LEU A 32 -2.495 -1.794 -11.505 1.00 0.00 O ATOM 243 CB LEU A 32 -1.859 0.576 -9.693 1.00 0.00 C ATOM 244 CG LEU A 32 -1.713 0.684 -8.143 1.00 0.00 C ATOM 245 CD1 LEU A 32 -2.355 1.985 -7.578 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.344 -0.531 -7.414 1.00 0.00 C ATOM 0 H LEU A 32 -1.158 -0.222 -12.486 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.078 -0.627 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.667 1.559 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.894 0.324 -9.923 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.640 0.704 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.227 2.014 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.870 2.853 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.418 2.000 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.219 -0.414 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.406 -0.587 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.850 -1.447 -7.739 1.00 0.00 H new ATOM 258 N ASP A 33 -1.246 -2.937 -10.010 1.00 0.00 N ATOM 259 CA ASP A 33 -1.865 -4.238 -10.300 1.00 0.00 C ATOM 260 C ASP A 33 -2.686 -4.678 -9.106 1.00 0.00 C ATOM 261 O ASP A 33 -2.367 -5.679 -8.483 1.00 0.00 O ATOM 262 CB ASP A 33 -0.821 -5.336 -10.646 1.00 0.00 C ATOM 263 CG ASP A 33 0.051 -4.980 -11.826 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.370 -5.264 -12.979 1.00 0.00 O ATOM 265 OD2 ASP A 33 1.165 -4.426 -11.620 1.00 0.00 O ATOM 0 H ASP A 33 -0.528 -2.968 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.498 -4.109 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.189 -5.513 -9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.342 -6.270 -10.857 1.00 0.00 H new ATOM 270 N ALA A 34 -3.774 -3.946 -8.781 1.00 0.00 N ATOM 271 CA ALA A 34 -4.599 -4.334 -7.639 1.00 0.00 C ATOM 272 C ALA A 34 -5.162 -5.727 -7.831 1.00 0.00 C ATOM 273 O ALA A 34 -5.469 -6.061 -8.965 1.00 0.00 O ATOM 274 CB ALA A 34 -5.749 -3.325 -7.395 1.00 0.00 C ATOM 0 H ALA A 34 -4.086 -3.113 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.955 -4.331 -6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.340 -3.647 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.331 -2.338 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.386 -3.279 -8.278 1.00 0.00 H new ATOM 280 N CYS A 35 -5.305 -6.551 -6.759 1.00 0.00 N ATOM 281 CA CYS A 35 -5.856 -7.902 -6.933 1.00 0.00 C ATOM 282 C CYS A 35 -6.294 -8.496 -5.601 1.00 0.00 C ATOM 283 O CYS A 35 -5.983 -7.908 -4.576 1.00 0.00 O ATOM 284 CB CYS A 35 -4.795 -8.819 -7.606 1.00 0.00 C ATOM 285 SG CYS A 35 -5.516 -10.190 -8.564 1.00 0.00 S ATOM 0 H CYS A 35 -5.053 -6.306 -5.801 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.735 -7.833 -7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.171 -8.215 -8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.141 -9.229 -6.836 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.563 -10.900 -9.091 1.00 0.00 H new ATOM 290 N ILE A 36 -7.008 -9.652 -5.618 1.00 0.00 N ATOM 291 CA ILE A 36 -7.563 -10.266 -4.406 1.00 0.00 C ATOM 292 C ILE A 36 -6.835 -9.909 -3.122 1.00 0.00 C ATOM 293 O ILE A 36 -7.438 -9.280 -2.264 1.00 0.00 O ATOM 294 CB ILE A 36 -7.846 -11.807 -4.515 1.00 0.00 C ATOM 295 CG1 ILE A 36 -6.608 -12.757 -4.625 1.00 0.00 C ATOM 296 CG2 ILE A 36 -8.874 -12.138 -5.638 1.00 0.00 C ATOM 297 CD1 ILE A 36 -5.615 -12.456 -5.782 1.00 0.00 C ATOM 0 H ILE A 36 -7.208 -10.173 -6.472 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.542 -9.792 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.269 -12.026 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.060 -12.717 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.969 -13.779 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.038 -13.215 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.818 -11.635 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.487 -11.796 -6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.799 -13.178 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.136 -12.529 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.213 -11.450 -5.664 1.00 0.00 H new ATOM 309 N THR A 37 -5.543 -10.276 -2.957 1.00 0.00 N ATOM 310 CA THR A 37 -4.799 -9.905 -1.760 1.00 0.00 C ATOM 311 C THR A 37 -3.412 -9.459 -2.171 1.00 0.00 C ATOM 312 O THR A 37 -2.473 -9.642 -1.413 1.00 0.00 O ATOM 313 CB THR A 37 -4.881 -11.084 -0.751 1.00 0.00 C ATOM 314 OG1 THR A 37 -4.526 -10.588 0.543 1.00 0.00 O ATOM 315 CG2 THR A 37 -3.989 -12.301 -1.118 1.00 0.00 C ATOM 0 H THR A 37 -5.011 -10.821 -3.635 1.00 0.00 H new ATOM 0 HA THR A 37 -5.219 -9.049 -1.232 1.00 0.00 H new ATOM 0 HB THR A 37 -5.904 -11.460 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.340 -10.407 1.058 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.105 -13.078 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.289 -12.692 -2.090 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.946 -11.988 -1.159 1.00 0.00 H new ATOM 323 N ARG A 38 -3.297 -8.856 -3.383 1.00 0.00 N ATOM 324 CA ARG A 38 -2.003 -8.509 -3.955 1.00 0.00 C ATOM 325 C ARG A 38 -2.148 -7.222 -4.731 1.00 0.00 C ATOM 326 O ARG A 38 -2.977 -7.208 -5.628 1.00 0.00 O ATOM 327 CB ARG A 38 -1.497 -9.691 -4.829 1.00 0.00 C ATOM 328 CG ARG A 38 -0.364 -9.322 -5.830 1.00 0.00 C ATOM 329 CD ARG A 38 -0.857 -8.836 -7.233 1.00 0.00 C ATOM 330 NE ARG A 38 -0.201 -9.597 -8.309 1.00 0.00 N ATOM 331 CZ ARG A 38 -0.601 -10.771 -8.759 1.00 0.00 C ATOM 332 NH1 ARG A 38 -1.658 -11.398 -8.296 1.00 0.00 N ATOM 333 NH2 ARG A 38 0.093 -11.343 -9.717 1.00 0.00 N ATOM 0 H ARG A 38 -4.094 -8.607 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.255 -8.343 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.139 -10.483 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.339 -10.098 -5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.252 -8.540 -5.387 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.277 -10.193 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.938 -8.954 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.644 -7.774 -7.351 1.00 0.00 H new ATOM 0 HE ARG A 38 0.627 -9.185 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.215 -10.978 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.922 -12.305 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.919 -10.879 -10.095 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.195 -12.251 -10.083 1.00 0.00 H new ATOM 347 N LEU A 39 -1.379 -6.150 -4.401 1.00 0.00 N ATOM 348 CA LEU A 39 -1.451 -4.910 -5.175 1.00 0.00 C ATOM 349 C LEU A 39 -0.071 -4.618 -5.703 1.00 0.00 C ATOM 350 O LEU A 39 0.850 -5.331 -5.363 1.00 0.00 O ATOM 351 CB LEU A 39 -2.302 -3.828 -4.429 1.00 0.00 C ATOM 352 CG LEU A 39 -1.814 -3.308 -3.036 1.00 0.00 C ATOM 353 CD1 LEU A 39 -1.037 -1.970 -3.175 1.00 0.00 C ATOM 354 CD2 LEU A 39 -3.003 -3.048 -2.059 1.00 0.00 C ATOM 0 H LEU A 39 -0.722 -6.131 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.041 -4.963 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.390 -2.966 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.306 -4.232 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.168 -4.091 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.711 -1.635 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.167 -2.119 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.687 -1.216 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.618 -2.688 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.669 -2.299 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.554 -3.975 -1.902 1.00 0.00 H new ATOM 366 N ARG A 40 0.149 -3.615 -6.566 1.00 0.00 N ATOM 367 CA ARG A 40 1.509 -3.351 -7.062 1.00 0.00 C ATOM 368 C ARG A 40 1.543 -1.893 -7.437 1.00 0.00 C ATOM 369 O ARG A 40 0.455 -1.372 -7.599 1.00 0.00 O ATOM 370 CB ARG A 40 2.017 -4.215 -8.259 1.00 0.00 C ATOM 371 CG ARG A 40 1.979 -5.752 -8.016 1.00 0.00 C ATOM 372 CD ARG A 40 2.605 -6.599 -9.164 1.00 0.00 C ATOM 373 NE ARG A 40 2.885 -7.980 -8.730 1.00 0.00 N ATOM 374 CZ ARG A 40 3.187 -8.972 -9.544 1.00 0.00 C ATOM 375 NH1 ARG A 40 3.268 -8.821 -10.846 1.00 0.00 N ATOM 376 NH2 ARG A 40 3.414 -10.166 -9.037 1.00 0.00 N ATOM 0 H ARG A 40 -0.572 -2.990 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 40 2.191 -3.630 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.413 -3.985 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.041 -3.923 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.506 -5.974 -7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.943 -6.060 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.926 -6.616 -10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.529 -6.129 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 40 2.842 -8.182 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.094 -7.908 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.505 -9.617 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.355 -10.312 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.649 -10.945 -9.652 1.00 0.00 H new ATOM 390 N VAL A 41 2.704 -1.201 -7.539 1.00 0.00 N ATOM 391 CA VAL A 41 2.675 0.252 -7.708 1.00 0.00 C ATOM 392 C VAL A 41 3.879 0.687 -8.526 1.00 0.00 C ATOM 393 O VAL A 41 4.781 1.323 -8.002 1.00 0.00 O ATOM 394 CB VAL A 41 2.632 0.878 -6.280 1.00 0.00 C ATOM 395 CG1 VAL A 41 2.259 2.382 -6.373 1.00 0.00 C ATOM 396 CG2 VAL A 41 1.683 0.178 -5.262 1.00 0.00 C ATOM 0 H VAL A 41 3.635 -1.617 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 41 1.798 0.593 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 41 3.638 0.733 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.231 2.812 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.004 2.905 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.280 2.486 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.732 0.695 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.660 0.207 -5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.992 -0.859 -5.131 1.00 0.00 H new ATOM 406 N SER A 42 3.906 0.335 -9.833 1.00 0.00 N ATOM 407 CA SER A 42 5.117 0.532 -10.642 1.00 0.00 C ATOM 408 C SER A 42 5.310 1.961 -11.102 1.00 0.00 C ATOM 409 O SER A 42 4.742 2.305 -12.127 1.00 0.00 O ATOM 410 CB SER A 42 5.123 -0.464 -11.841 1.00 0.00 C ATOM 411 OG SER A 42 6.022 -0.002 -12.866 1.00 0.00 O ATOM 0 H SER A 42 3.119 -0.077 -10.334 1.00 0.00 H new ATOM 0 HA SER A 42 5.971 0.321 -9.998 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.427 -1.454 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.116 -0.562 -12.247 1.00 0.00 H new ATOM 0 HG SER A 42 6.019 -0.636 -13.614 1.00 0.00 H new ATOM 417 N VAL A 43 6.109 2.792 -10.373 1.00 0.00 N ATOM 418 CA VAL A 43 6.211 4.219 -10.694 1.00 0.00 C ATOM 419 C VAL A 43 7.554 4.842 -10.379 1.00 0.00 C ATOM 420 O VAL A 43 8.378 4.161 -9.789 1.00 0.00 O ATOM 421 CB VAL A 43 5.147 4.969 -9.850 1.00 0.00 C ATOM 422 CG1 VAL A 43 3.771 4.291 -10.020 1.00 0.00 C ATOM 423 CG2 VAL A 43 5.503 5.002 -8.339 1.00 0.00 C ATOM 0 H VAL A 43 6.675 2.493 -9.579 1.00 0.00 H new ATOM 0 HA VAL A 43 6.065 4.306 -11.771 1.00 0.00 H new ATOM 0 HB VAL A 43 5.120 5.996 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.028 4.822 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.480 4.316 -11.070 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.832 3.256 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.726 5.538 -7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.575 3.983 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.458 5.508 -8.201 1.00 0.00 H new ATOM 433 N ALA A 44 7.752 6.140 -10.737 1.00 0.00 N ATOM 434 CA ALA A 44 8.956 6.875 -10.349 1.00 0.00 C ATOM 435 C ALA A 44 8.709 7.907 -9.266 1.00 0.00 C ATOM 436 O ALA A 44 9.677 8.566 -8.916 1.00 0.00 O ATOM 437 CB ALA A 44 9.562 7.560 -11.601 1.00 0.00 C ATOM 0 H ALA A 44 7.089 6.683 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 44 9.653 6.149 -9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.460 8.109 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.819 6.803 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.834 8.251 -12.026 1.00 0.00 H new ATOM 443 N ASP A 45 7.491 8.081 -8.691 1.00 0.00 N ATOM 444 CA ASP A 45 7.342 8.967 -7.526 1.00 0.00 C ATOM 445 C ASP A 45 7.940 8.314 -6.289 1.00 0.00 C ATOM 446 O ASP A 45 7.215 8.113 -5.327 1.00 0.00 O ATOM 447 CB ASP A 45 5.852 9.341 -7.278 1.00 0.00 C ATOM 448 CG ASP A 45 5.232 10.006 -8.482 1.00 0.00 C ATOM 449 OD1 ASP A 45 5.031 9.295 -9.504 1.00 0.00 O ATOM 450 OD2 ASP A 45 4.934 11.230 -8.427 1.00 0.00 O ATOM 0 H ASP A 45 6.631 7.633 -9.007 1.00 0.00 H new ATOM 0 HA ASP A 45 7.882 9.890 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.288 8.442 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.783 10.008 -6.419 1.00 0.00 H new ATOM 455 N VAL A 46 9.261 7.991 -6.299 1.00 0.00 N ATOM 456 CA VAL A 46 9.944 7.461 -5.113 1.00 0.00 C ATOM 457 C VAL A 46 10.794 8.543 -4.459 1.00 0.00 C ATOM 458 O VAL A 46 11.381 8.270 -3.424 1.00 0.00 O ATOM 459 CB VAL A 46 10.633 6.077 -5.384 1.00 0.00 C ATOM 460 CG1 VAL A 46 11.179 5.939 -6.832 1.00 0.00 C ATOM 461 CG2 VAL A 46 11.772 5.724 -4.385 1.00 0.00 C ATOM 0 H VAL A 46 9.862 8.092 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 46 9.210 7.199 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 46 9.821 5.364 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.643 4.960 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.358 6.043 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.919 6.717 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.194 4.753 -4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.551 6.484 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.370 5.687 -3.373 1.00 0.00 H new ATOM 471 N SER A 47 10.859 9.789 -4.998 1.00 0.00 N ATOM 472 CA SER A 47 11.601 10.878 -4.353 1.00 0.00 C ATOM 473 C SER A 47 11.513 10.837 -2.840 1.00 0.00 C ATOM 474 O SER A 47 12.526 11.023 -2.184 1.00 0.00 O ATOM 475 CB SER A 47 11.033 12.246 -4.819 1.00 0.00 C ATOM 476 OG SER A 47 11.649 13.314 -4.082 1.00 0.00 O ATOM 0 H SER A 47 10.406 10.052 -5.873 1.00 0.00 H new ATOM 0 HA SER A 47 12.644 10.753 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.213 12.379 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.953 12.269 -4.673 1.00 0.00 H new ATOM 0 HG SER A 47 11.285 14.172 -4.384 1.00 0.00 H new ATOM 482 N LYS A 48 10.306 10.598 -2.275 1.00 0.00 N ATOM 483 CA LYS A 48 10.146 10.543 -0.813 1.00 0.00 C ATOM 484 C LYS A 48 9.021 9.628 -0.368 1.00 0.00 C ATOM 485 O LYS A 48 8.455 9.838 0.693 1.00 0.00 O ATOM 486 CB LYS A 48 9.986 11.983 -0.238 1.00 0.00 C ATOM 487 CG LYS A 48 8.571 12.629 -0.382 1.00 0.00 C ATOM 488 CD LYS A 48 7.928 12.404 -1.777 1.00 0.00 C ATOM 489 CE LYS A 48 6.593 13.171 -2.005 1.00 0.00 C ATOM 490 NZ LYS A 48 5.590 12.305 -2.671 1.00 0.00 N ATOM 0 H LYS A 48 9.447 10.444 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 48 11.055 10.101 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.246 11.960 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.711 12.631 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.913 12.218 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.648 13.700 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.641 12.706 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.747 11.338 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.201 13.519 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.777 14.056 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.709 12.839 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.957 11.994 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.399 11.474 -2.076 1.00 0.00 H new ATOM 504 N VAL A 49 8.674 8.600 -1.176 1.00 0.00 N ATOM 505 CA VAL A 49 7.518 7.762 -0.861 1.00 0.00 C ATOM 506 C VAL A 49 7.733 7.035 0.445 1.00 0.00 C ATOM 507 O VAL A 49 8.876 6.739 0.757 1.00 0.00 O ATOM 508 CB VAL A 49 7.253 6.739 -2.006 1.00 0.00 C ATOM 509 CG1 VAL A 49 8.413 5.714 -2.148 1.00 0.00 C ATOM 510 CG2 VAL A 49 5.895 6.000 -1.846 1.00 0.00 C ATOM 0 H VAL A 49 9.171 8.343 -2.029 1.00 0.00 H new ATOM 0 HA VAL A 49 6.645 8.408 -0.763 1.00 0.00 H new ATOM 0 HB VAL A 49 7.201 7.326 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.188 5.019 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.340 6.242 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.526 5.161 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.762 5.300 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.887 5.455 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.082 6.727 -1.853 1.00 0.00 H new ATOM 520 N ASP A 50 6.657 6.732 1.210 1.00 0.00 N ATOM 521 CA ASP A 50 6.801 5.911 2.412 1.00 0.00 C ATOM 522 C ASP A 50 6.413 4.487 2.068 1.00 0.00 C ATOM 523 O ASP A 50 5.430 4.008 2.605 1.00 0.00 O ATOM 524 CB ASP A 50 5.928 6.479 3.567 1.00 0.00 C ATOM 525 CG ASP A 50 6.443 7.803 4.074 1.00 0.00 C ATOM 526 OD1 ASP A 50 7.148 8.515 3.309 1.00 0.00 O ATOM 527 OD2 ASP A 50 6.143 8.142 5.252 1.00 0.00 O ATOM 0 H ASP A 50 5.705 7.041 1.014 1.00 0.00 H new ATOM 0 HA ASP A 50 7.835 5.926 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.902 6.600 3.219 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.904 5.762 4.388 1.00 0.00 H new ATOM 532 N GLN A 51 7.167 3.778 1.192 1.00 0.00 N ATOM 533 CA GLN A 51 6.860 2.369 0.931 1.00 0.00 C ATOM 534 C GLN A 51 7.237 1.603 2.178 1.00 0.00 C ATOM 535 O GLN A 51 6.449 0.783 2.620 1.00 0.00 O ATOM 536 CB GLN A 51 7.678 1.718 -0.219 1.00 0.00 C ATOM 537 CG GLN A 51 7.368 2.328 -1.616 1.00 0.00 C ATOM 538 CD GLN A 51 8.606 2.444 -2.483 1.00 0.00 C ATOM 539 OE1 GLN A 51 9.705 2.577 -1.969 1.00 0.00 O ATOM 540 NE2 GLN A 51 8.473 2.422 -3.825 1.00 0.00 N ATOM 0 H GLN A 51 7.963 4.151 0.675 1.00 0.00 H new ATOM 0 HA GLN A 51 5.808 2.331 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.741 1.831 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.470 0.648 -0.243 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.629 1.709 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.923 3.315 -1.488 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.550 2.310 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.296 2.517 -4.421 1.00 0.00 H new ATOM 549 N ALA A 52 8.446 1.873 2.733 1.00 0.00 N ATOM 550 CA ALA A 52 8.902 1.177 3.933 1.00 0.00 C ATOM 551 C ALA A 52 7.806 1.118 4.978 1.00 0.00 C ATOM 552 O ALA A 52 7.720 0.127 5.688 1.00 0.00 O ATOM 553 CB ALA A 52 10.147 1.885 4.531 1.00 0.00 C ATOM 0 H ALA A 52 9.104 2.560 2.365 1.00 0.00 H new ATOM 0 HA ALA A 52 9.168 0.160 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.474 1.353 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.952 1.888 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.891 2.912 4.793 1.00 0.00 H new ATOM 559 N GLY A 53 6.953 2.165 5.079 1.00 0.00 N ATOM 560 CA GLY A 53 5.770 2.072 5.933 1.00 0.00 C ATOM 561 C GLY A 53 4.629 1.413 5.188 1.00 0.00 C ATOM 562 O GLY A 53 3.944 0.591 5.771 1.00 0.00 O ATOM 0 H GLY A 53 7.065 3.054 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.006 1.499 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.471 3.068 6.260 1.00 0.00 H new ATOM 566 N LEU A 54 4.389 1.751 3.898 1.00 0.00 N ATOM 567 CA LEU A 54 3.221 1.224 3.183 1.00 0.00 C ATOM 568 C LEU A 54 3.282 -0.267 2.968 1.00 0.00 C ATOM 569 O LEU A 54 2.282 -0.816 2.535 1.00 0.00 O ATOM 570 CB LEU A 54 2.994 1.881 1.788 1.00 0.00 C ATOM 571 CG LEU A 54 1.501 2.157 1.409 1.00 0.00 C ATOM 572 CD1 LEU A 54 1.324 3.660 1.083 1.00 0.00 C ATOM 573 CD2 LEU A 54 0.990 1.251 0.250 1.00 0.00 C ATOM 0 H LEU A 54 4.980 2.374 3.348 1.00 0.00 H new ATOM 0 HA LEU A 54 2.391 1.474 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.539 2.824 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.431 1.235 1.026 1.00 0.00 H new ATOM 0 HG LEU A 54 0.883 1.900 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.285 3.855 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.595 4.256 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.968 3.929 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.051 1.490 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.595 1.424 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.068 0.204 0.545 1.00 0.00 H new ATOM 585 N LYS A 55 4.428 -0.918 3.250 1.00 0.00 N ATOM 586 CA LYS A 55 4.587 -2.344 3.001 1.00 0.00 C ATOM 587 C LYS A 55 4.209 -3.207 4.176 1.00 0.00 C ATOM 588 O LYS A 55 3.528 -4.208 4.007 1.00 0.00 O ATOM 589 CB LYS A 55 6.034 -2.603 2.491 1.00 0.00 C ATOM 590 CG LYS A 55 7.288 -2.238 3.336 1.00 0.00 C ATOM 591 CD LYS A 55 7.635 -3.215 4.495 1.00 0.00 C ATOM 592 CE LYS A 55 9.072 -3.801 4.358 1.00 0.00 C ATOM 593 NZ LYS A 55 9.156 -4.819 3.283 1.00 0.00 N ATOM 0 H LYS A 55 5.251 -0.469 3.650 1.00 0.00 H new ATOM 0 HA LYS A 55 3.880 -2.642 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.103 -3.669 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.131 -2.075 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.147 -2.178 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.141 -1.243 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.546 -2.693 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.912 -4.030 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.774 -2.994 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.373 -4.248 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.128 -5.183 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.505 -5.602 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.894 -4.387 2.374 1.00 0.00 H new ATOM 607 N LYS A 56 4.672 -2.796 5.372 1.00 0.00 N ATOM 608 CA LYS A 56 4.277 -3.457 6.614 1.00 0.00 C ATOM 609 C LYS A 56 3.016 -2.842 7.192 1.00 0.00 C ATOM 610 O LYS A 56 2.442 -3.464 8.071 1.00 0.00 O ATOM 611 CB LYS A 56 5.457 -3.430 7.623 1.00 0.00 C ATOM 612 CG LYS A 56 5.846 -1.997 8.085 1.00 0.00 C ATOM 613 CD LYS A 56 7.172 -1.969 8.892 1.00 0.00 C ATOM 614 CE LYS A 56 7.047 -2.662 10.274 1.00 0.00 C ATOM 615 NZ LYS A 56 8.160 -2.249 11.160 1.00 0.00 N ATOM 0 H LYS A 56 5.315 -2.014 5.496 1.00 0.00 H new ATOM 0 HA LYS A 56 4.040 -4.499 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.191 -4.025 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.326 -3.904 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.943 -1.352 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.043 -1.586 8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.955 -2.460 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.483 -0.934 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.093 -2.403 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.057 -3.745 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.063 -2.721 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.067 -2.518 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.133 -1.218 11.294 1.00 0.00 H new ATOM 629 N LEU A 57 2.577 -1.641 6.736 1.00 0.00 N ATOM 630 CA LEU A 57 1.379 -0.978 7.273 1.00 0.00 C ATOM 631 C LEU A 57 0.254 -0.865 6.252 1.00 0.00 C ATOM 632 O LEU A 57 -0.905 -0.975 6.616 1.00 0.00 O ATOM 633 CB LEU A 57 1.784 0.460 7.710 1.00 0.00 C ATOM 634 CG LEU A 57 1.003 1.027 8.931 1.00 0.00 C ATOM 635 CD1 LEU A 57 1.314 2.543 9.068 1.00 0.00 C ATOM 636 CD2 LEU A 57 -0.530 0.819 8.846 1.00 0.00 C ATOM 0 H LEU A 57 3.043 -1.117 5.995 1.00 0.00 H new ATOM 0 HA LEU A 57 1.009 -1.580 8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.848 0.464 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.642 1.133 6.864 1.00 0.00 H new ATOM 0 HG LEU A 57 1.338 0.471 9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.771 2.950 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.384 2.683 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.005 3.061 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.004 1.240 9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.916 1.317 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.750 -0.247 8.789 1.00 0.00 H new ATOM 648 N GLY A 58 0.538 -0.622 4.954 1.00 0.00 N ATOM 649 CA GLY A 58 -0.518 -0.555 3.946 1.00 0.00 C ATOM 650 C GLY A 58 -0.785 -1.943 3.435 1.00 0.00 C ATOM 651 O GLY A 58 -1.937 -2.350 3.415 1.00 0.00 O ATOM 0 H GLY A 58 1.480 -0.472 4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.425 -0.130 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.217 0.098 3.127 1.00 0.00 H new ATOM 655 N ALA A 59 0.287 -2.664 3.022 1.00 0.00 N ATOM 656 CA ALA A 59 0.150 -4.038 2.547 1.00 0.00 C ATOM 657 C ALA A 59 0.836 -4.944 3.549 1.00 0.00 C ATOM 658 O ALA A 59 1.019 -4.506 4.673 1.00 0.00 O ATOM 659 CB ALA A 59 0.732 -4.094 1.107 1.00 0.00 C ATOM 0 H ALA A 59 1.243 -2.309 3.013 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.882 -4.382 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.646 -5.109 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.177 -3.411 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.782 -3.801 1.127 1.00 0.00 H new ATOM 665 N ALA A 60 1.218 -6.192 3.182 1.00 0.00 N ATOM 666 CA ALA A 60 1.822 -7.131 4.132 1.00 0.00 C ATOM 667 C ALA A 60 3.127 -7.641 3.568 1.00 0.00 C ATOM 668 O ALA A 60 3.439 -8.810 3.731 1.00 0.00 O ATOM 669 CB ALA A 60 0.881 -8.337 4.382 1.00 0.00 C ATOM 0 H ALA A 60 1.115 -6.561 2.237 1.00 0.00 H new ATOM 0 HA ALA A 60 1.992 -6.610 5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.348 -9.022 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.065 -7.982 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.698 -8.856 3.441 1.00 0.00 H new ATOM 675 N GLY A 61 3.898 -6.769 2.883 1.00 0.00 N ATOM 676 CA GLY A 61 5.131 -7.205 2.241 1.00 0.00 C ATOM 677 C GLY A 61 5.133 -6.655 0.839 1.00 0.00 C ATOM 678 O GLY A 61 4.219 -6.983 0.098 1.00 0.00 O ATOM 0 H GLY A 61 3.683 -5.778 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.999 -6.846 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.191 -8.293 2.226 1.00 0.00 H new ATOM 682 N VAL A 62 6.142 -5.830 0.469 1.00 0.00 N ATOM 683 CA VAL A 62 6.227 -5.302 -0.892 1.00 0.00 C ATOM 684 C VAL A 62 7.647 -5.550 -1.315 1.00 0.00 C ATOM 685 O VAL A 62 8.438 -6.011 -0.508 1.00 0.00 O ATOM 686 CB VAL A 62 5.823 -3.791 -1.021 1.00 0.00 C ATOM 687 CG1 VAL A 62 4.546 -3.457 -0.198 1.00 0.00 C ATOM 688 CG2 VAL A 62 7.030 -2.848 -0.735 1.00 0.00 C ATOM 0 H VAL A 62 6.891 -5.526 1.091 1.00 0.00 H new ATOM 0 HA VAL A 62 5.507 -5.801 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 62 5.547 -3.604 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.303 -2.401 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.714 -4.063 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.725 -3.672 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.712 -1.810 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.395 -3.021 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.828 -3.052 -1.448 1.00 0.00 H new ATOM 698 N VAL A 63 7.985 -5.254 -2.582 1.00 0.00 N ATOM 699 CA VAL A 63 9.349 -5.453 -3.056 1.00 0.00 C ATOM 700 C VAL A 63 9.600 -4.312 -4.011 1.00 0.00 C ATOM 701 O VAL A 63 8.670 -3.971 -4.725 1.00 0.00 O ATOM 702 CB VAL A 63 9.541 -6.888 -3.645 1.00 0.00 C ATOM 703 CG1 VAL A 63 8.192 -7.639 -3.831 1.00 0.00 C ATOM 704 CG2 VAL A 63 10.363 -6.871 -4.959 1.00 0.00 C ATOM 0 H VAL A 63 7.339 -4.883 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 63 10.097 -5.424 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 63 10.116 -7.446 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.381 -8.630 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.693 -7.736 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.554 -7.078 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.472 -7.889 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.847 -6.264 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.349 -6.448 -4.766 1.00 0.00 H new ATOM 714 N VAL A 64 10.811 -3.706 -4.018 1.00 0.00 N ATOM 715 CA VAL A 64 11.054 -2.526 -4.846 1.00 0.00 C ATOM 716 C VAL A 64 12.080 -2.934 -5.876 1.00 0.00 C ATOM 717 O VAL A 64 13.077 -3.519 -5.481 1.00 0.00 O ATOM 718 CB VAL A 64 11.519 -1.324 -3.971 1.00 0.00 C ATOM 719 CG1 VAL A 64 11.507 -0.010 -4.798 1.00 0.00 C ATOM 720 CG2 VAL A 64 10.635 -1.147 -2.705 1.00 0.00 C ATOM 0 H VAL A 64 11.613 -4.015 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 64 10.147 -2.184 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 64 12.536 -1.543 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.835 0.818 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.181 -0.109 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.496 0.185 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.996 -0.298 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.602 -0.969 -3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.686 -2.050 -2.096 1.00 0.00 H new ATOM 730 N ALA A 65 11.847 -2.661 -7.183 1.00 0.00 N ATOM 731 CA ALA A 65 12.752 -3.143 -8.224 1.00 0.00 C ATOM 732 C ALA A 65 12.865 -2.071 -9.286 1.00 0.00 C ATOM 733 O ALA A 65 12.084 -2.136 -10.221 1.00 0.00 O ATOM 734 CB ALA A 65 12.153 -4.453 -8.799 1.00 0.00 C ATOM 0 H ALA A 65 11.053 -2.119 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 65 13.750 -3.351 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.807 -4.840 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.063 -5.192 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.168 -4.249 -9.218 1.00 0.00 H new ATOM 740 N GLY A 66 13.801 -1.096 -9.147 1.00 0.00 N ATOM 741 CA GLY A 66 13.913 0.010 -10.104 1.00 0.00 C ATOM 742 C GLY A 66 13.399 -0.364 -11.478 1.00 0.00 C ATOM 743 O GLY A 66 14.072 -1.158 -12.114 1.00 0.00 O ATOM 0 H GLY A 66 14.478 -1.063 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.354 0.868 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.956 0.317 -10.180 1.00 0.00 H new ATOM 747 N SER A 67 12.219 0.164 -11.898 1.00 0.00 N ATOM 748 CA SER A 67 11.486 -0.332 -13.070 1.00 0.00 C ATOM 749 C SER A 67 10.062 -0.635 -12.638 1.00 0.00 C ATOM 750 O SER A 67 9.147 -0.462 -13.430 1.00 0.00 O ATOM 751 CB SER A 67 12.028 -1.587 -13.812 1.00 0.00 C ATOM 752 OG SER A 67 12.195 -2.723 -12.946 1.00 0.00 O ATOM 0 H SER A 67 11.759 0.943 -11.428 1.00 0.00 H new ATOM 0 HA SER A 67 11.594 0.472 -13.798 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.343 -1.849 -14.619 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.986 -1.345 -14.273 1.00 0.00 H new ATOM 0 HG SER A 67 13.024 -2.624 -12.432 1.00 0.00 H new ATOM 758 N GLY A 68 9.863 -1.092 -11.378 1.00 0.00 N ATOM 759 CA GLY A 68 8.519 -1.365 -10.893 1.00 0.00 C ATOM 760 C GLY A 68 8.539 -1.671 -9.416 1.00 0.00 C ATOM 761 O GLY A 68 9.616 -1.764 -8.847 1.00 0.00 O ATOM 0 H GLY A 68 10.608 -1.271 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.876 -0.505 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.094 -2.207 -11.439 1.00 0.00 H new ATOM 765 N VAL A 69 7.350 -1.831 -8.793 1.00 0.00 N ATOM 766 CA VAL A 69 7.276 -2.065 -7.348 1.00 0.00 C ATOM 767 C VAL A 69 6.144 -3.038 -7.163 1.00 0.00 C ATOM 768 O VAL A 69 5.196 -2.909 -7.920 1.00 0.00 O ATOM 769 CB VAL A 69 6.991 -0.755 -6.556 1.00 0.00 C ATOM 770 CG1 VAL A 69 7.126 -0.970 -5.024 1.00 0.00 C ATOM 771 CG2 VAL A 69 7.930 0.376 -7.048 1.00 0.00 C ATOM 0 H VAL A 69 6.447 -1.802 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 69 8.225 -2.444 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 69 5.959 -0.460 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.920 -0.034 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.414 -1.729 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.139 -1.299 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.724 1.289 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.968 0.081 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.759 0.555 -8.110 1.00 0.00 H new ATOM 781 N GLN A 70 6.193 -3.991 -6.205 1.00 0.00 N ATOM 782 CA GLN A 70 5.117 -4.976 -6.100 1.00 0.00 C ATOM 783 C GLN A 70 4.655 -5.001 -4.674 1.00 0.00 C ATOM 784 O GLN A 70 5.548 -4.876 -3.860 1.00 0.00 O ATOM 785 CB GLN A 70 5.510 -6.413 -6.556 1.00 0.00 C ATOM 786 CG GLN A 70 6.926 -6.493 -7.184 1.00 0.00 C ATOM 787 CD GLN A 70 7.395 -7.873 -7.609 1.00 0.00 C ATOM 788 OE1 GLN A 70 8.186 -7.926 -8.538 1.00 0.00 O ATOM 789 NE2 GLN A 70 6.982 -9.007 -6.993 1.00 0.00 N ATOM 0 H GLN A 70 6.942 -4.091 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 70 4.326 -4.667 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.462 -7.084 -5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.778 -6.769 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.951 -5.839 -8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.642 -6.094 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.321 -8.955 -6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.332 -9.913 -7.304 1.00 0.00 H new ATOM 798 N ALA A 71 3.345 -5.170 -4.362 1.00 0.00 N ATOM 799 CA ALA A 71 2.842 -5.096 -2.999 1.00 0.00 C ATOM 800 C ALA A 71 2.012 -6.311 -2.696 1.00 0.00 C ATOM 801 O ALA A 71 1.365 -6.799 -3.605 1.00 0.00 O ATOM 802 CB ALA A 71 2.024 -3.793 -2.803 1.00 0.00 C ATOM 0 H ALA A 71 2.624 -5.360 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 71 3.681 -5.074 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.652 -3.747 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.662 -2.930 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.182 -3.784 -3.496 1.00 0.00 H new ATOM 808 N ILE A 72 2.034 -6.860 -1.463 1.00 0.00 N ATOM 809 CA ILE A 72 1.353 -8.126 -1.234 1.00 0.00 C ATOM 810 C ILE A 72 0.658 -8.038 0.109 1.00 0.00 C ATOM 811 O ILE A 72 1.363 -7.851 1.087 1.00 0.00 O ATOM 812 CB ILE A 72 2.299 -9.339 -1.527 1.00 0.00 C ATOM 813 CG1 ILE A 72 2.317 -9.764 -3.040 1.00 0.00 C ATOM 814 CG2 ILE A 72 1.880 -10.558 -0.660 1.00 0.00 C ATOM 815 CD1 ILE A 72 3.432 -9.111 -3.903 1.00 0.00 C ATOM 0 H ILE A 72 2.499 -6.457 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 72 0.550 -8.327 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 72 3.307 -9.011 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.427 -10.847 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.350 -9.519 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.542 -11.398 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.950 -10.295 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.854 -10.838 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.356 -9.471 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.315 -8.027 -3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.408 -9.376 -3.497 1.00 0.00 H new ATOM 827 N PHE A 73 -0.699 -8.153 0.176 1.00 0.00 N ATOM 828 CA PHE A 73 -1.422 -7.990 1.436 1.00 0.00 C ATOM 829 C PHE A 73 -1.960 -9.347 1.812 1.00 0.00 C ATOM 830 O PHE A 73 -3.098 -9.416 2.239 1.00 0.00 O ATOM 831 CB PHE A 73 -2.422 -6.795 1.431 1.00 0.00 C ATOM 832 CG PHE A 73 -3.543 -6.716 0.368 1.00 0.00 C ATOM 833 CD1 PHE A 73 -3.243 -6.536 -0.987 1.00 0.00 C ATOM 834 CD2 PHE A 73 -4.893 -6.752 0.753 1.00 0.00 C ATOM 835 CE1 PHE A 73 -4.261 -6.451 -1.942 1.00 0.00 C ATOM 836 CE2 PHE A 73 -5.915 -6.629 -0.193 1.00 0.00 C ATOM 837 CZ PHE A 73 -5.603 -6.486 -1.546 1.00 0.00 C ATOM 0 H PHE A 73 -1.294 -8.356 -0.628 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.762 -7.669 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.903 -6.774 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.833 -5.882 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.212 -6.462 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.146 -6.877 1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.011 -6.358 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.947 -6.645 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.390 -6.403 -2.281 1.00 0.00 H new ATOM 847 N GLY A 74 -1.132 -10.413 1.656 1.00 0.00 N ATOM 848 CA GLY A 74 -1.553 -11.774 1.977 1.00 0.00 C ATOM 849 C GLY A 74 -1.341 -12.040 3.447 1.00 0.00 C ATOM 850 O GLY A 74 -1.103 -11.078 4.160 1.00 0.00 O ATOM 0 H GLY A 74 -0.175 -10.341 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.604 -11.910 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.985 -12.490 1.383 1.00 0.00 H new ATOM 854 N THR A 75 -1.415 -13.329 3.870 1.00 0.00 N ATOM 855 CA THR A 75 -1.036 -13.743 5.226 1.00 0.00 C ATOM 856 C THR A 75 -1.732 -12.967 6.333 1.00 0.00 C ATOM 857 O THR A 75 -2.626 -13.503 6.975 1.00 0.00 O ATOM 858 CB THR A 75 0.511 -13.670 5.385 1.00 0.00 C ATOM 859 OG1 THR A 75 0.946 -12.321 5.141 1.00 0.00 O ATOM 860 CG2 THR A 75 1.217 -14.630 4.396 1.00 0.00 C ATOM 0 H THR A 75 -1.737 -14.096 3.279 1.00 0.00 H new ATOM 0 HA THR A 75 -1.376 -14.772 5.341 1.00 0.00 H new ATOM 0 HB THR A 75 0.773 -13.972 6.399 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.919 -12.268 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.297 -14.559 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.894 -15.653 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.958 -14.354 3.374 1.00 0.00 H new ATOM 868 N LYS A 76 -1.307 -11.702 6.557 1.00 0.00 N ATOM 869 CA LYS A 76 -1.912 -10.834 7.568 1.00 0.00 C ATOM 870 C LYS A 76 -2.742 -9.855 6.774 1.00 0.00 C ATOM 871 O LYS A 76 -2.595 -8.650 6.894 1.00 0.00 O ATOM 872 CB LYS A 76 -0.845 -10.258 8.543 1.00 0.00 C ATOM 873 CG LYS A 76 0.362 -9.546 7.868 1.00 0.00 C ATOM 874 CD LYS A 76 1.553 -9.281 8.833 1.00 0.00 C ATOM 875 CE LYS A 76 2.186 -10.579 9.424 1.00 0.00 C ATOM 876 NZ LYS A 76 2.382 -11.673 8.439 1.00 0.00 N ATOM 0 H LYS A 76 -0.542 -11.267 6.042 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.569 -11.343 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.334 -9.551 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.466 -11.072 9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.711 -10.154 7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.026 -8.597 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.323 -8.723 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.211 -8.649 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.150 -10.329 9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.550 -10.943 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.867 -12.470 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.457 -11.989 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.959 -11.327 7.646 1.00 0.00 H new ATOM 890 N SER A 77 -3.643 -10.412 5.930 1.00 0.00 N ATOM 891 CA SER A 77 -4.490 -9.580 5.085 1.00 0.00 C ATOM 892 C SER A 77 -5.560 -9.004 5.977 1.00 0.00 C ATOM 893 O SER A 77 -5.759 -7.802 5.962 1.00 0.00 O ATOM 894 CB SER A 77 -5.125 -10.435 3.955 1.00 0.00 C ATOM 895 OG SER A 77 -5.632 -9.631 2.877 1.00 0.00 O ATOM 0 H SER A 77 -3.791 -11.416 5.827 1.00 0.00 H new ATOM 0 HA SER A 77 -3.913 -8.787 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.380 -11.130 3.567 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.935 -11.035 4.369 1.00 0.00 H new ATOM 0 HG SER A 77 -4.889 -9.170 2.435 1.00 0.00 H new ATOM 901 N ASP A 78 -6.251 -9.858 6.765 1.00 0.00 N ATOM 902 CA ASP A 78 -7.301 -9.360 7.647 1.00 0.00 C ATOM 903 C ASP A 78 -6.757 -8.312 8.593 1.00 0.00 C ATOM 904 O ASP A 78 -7.462 -7.354 8.867 1.00 0.00 O ATOM 905 CB ASP A 78 -7.908 -10.519 8.482 1.00 0.00 C ATOM 906 CG ASP A 78 -8.564 -11.526 7.568 1.00 0.00 C ATOM 907 OD1 ASP A 78 -7.846 -12.105 6.707 1.00 0.00 O ATOM 908 OD2 ASP A 78 -9.799 -11.745 7.697 1.00 0.00 O ATOM 0 H ASP A 78 -6.098 -10.866 6.801 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.074 -8.916 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.127 -11.003 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.640 -10.125 9.188 1.00 0.00 H new ATOM 913 N ASN A 79 -5.516 -8.478 9.110 1.00 0.00 N ATOM 914 CA ASN A 79 -4.980 -7.495 10.052 1.00 0.00 C ATOM 915 C ASN A 79 -4.768 -6.168 9.354 1.00 0.00 C ATOM 916 O ASN A 79 -5.151 -5.136 9.879 1.00 0.00 O ATOM 917 CB ASN A 79 -3.619 -7.959 10.638 1.00 0.00 C ATOM 918 CG ASN A 79 -3.191 -7.080 11.792 1.00 0.00 C ATOM 919 OD1 ASN A 79 -2.677 -5.999 11.548 1.00 0.00 O ATOM 920 ND2 ASN A 79 -3.392 -7.511 13.059 1.00 0.00 N ATOM 0 H ASN A 79 -4.894 -9.257 8.894 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.703 -7.390 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.699 -8.993 10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.858 -7.936 9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.111 -6.927 13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.824 -8.420 13.226 1.00 0.00 H new ATOM 927 N LEU A 80 -4.142 -6.188 8.157 1.00 0.00 N ATOM 928 CA LEU A 80 -3.852 -4.944 7.444 1.00 0.00 C ATOM 929 C LEU A 80 -5.150 -4.335 6.958 1.00 0.00 C ATOM 930 O LEU A 80 -5.386 -3.158 7.180 1.00 0.00 O ATOM 931 CB LEU A 80 -2.867 -5.213 6.271 1.00 0.00 C ATOM 932 CG LEU A 80 -1.365 -5.222 6.702 1.00 0.00 C ATOM 933 CD1 LEU A 80 -0.814 -3.776 6.746 1.00 0.00 C ATOM 934 CD2 LEU A 80 -1.067 -5.894 8.072 1.00 0.00 C ATOM 0 H LEU A 80 -3.837 -7.036 7.680 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.369 -4.234 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.111 -6.173 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.012 -4.451 5.505 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.870 -5.829 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.233 -3.795 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.899 -3.324 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.388 -3.190 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.003 -5.846 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.610 -5.371 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.385 -6.936 8.043 1.00 0.00 H new ATOM 946 N LYS A 81 -6.010 -5.137 6.299 1.00 0.00 N ATOM 947 CA LYS A 81 -7.329 -4.653 5.899 1.00 0.00 C ATOM 948 C LYS A 81 -8.079 -4.121 7.099 1.00 0.00 C ATOM 949 O LYS A 81 -8.771 -3.127 6.953 1.00 0.00 O ATOM 950 CB LYS A 81 -8.170 -5.789 5.259 1.00 0.00 C ATOM 951 CG LYS A 81 -7.662 -6.110 3.827 1.00 0.00 C ATOM 952 CD LYS A 81 -8.007 -7.558 3.384 1.00 0.00 C ATOM 953 CE LYS A 81 -9.476 -7.974 3.659 1.00 0.00 C ATOM 954 NZ LYS A 81 -9.857 -9.134 2.816 1.00 0.00 N ATOM 0 H LYS A 81 -5.813 -6.104 6.040 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.178 -3.859 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.113 -6.684 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.219 -5.494 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.101 -5.404 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.582 -5.969 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.807 -7.657 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.342 -8.252 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.597 -8.228 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.141 -7.135 3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.843 -9.398 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.761 -8.880 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.234 -9.938 3.030 1.00 0.00 H new ATOM 968 N THR A 82 -7.965 -4.742 8.294 1.00 0.00 N ATOM 969 CA THR A 82 -8.609 -4.165 9.473 1.00 0.00 C ATOM 970 C THR A 82 -8.059 -2.770 9.663 1.00 0.00 C ATOM 971 O THR A 82 -8.842 -1.856 9.873 1.00 0.00 O ATOM 972 CB THR A 82 -8.413 -5.027 10.756 1.00 0.00 C ATOM 973 OG1 THR A 82 -9.356 -6.113 10.766 1.00 0.00 O ATOM 974 CG2 THR A 82 -8.603 -4.203 12.057 1.00 0.00 C ATOM 0 H THR A 82 -7.452 -5.609 8.456 1.00 0.00 H new ATOM 0 HA THR A 82 -9.686 -4.136 9.308 1.00 0.00 H new ATOM 0 HB THR A 82 -7.389 -5.400 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.034 -6.832 10.183 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.456 -4.850 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.876 -3.391 12.083 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.611 -3.788 12.081 1.00 0.00 H new ATOM 982 N GLU A 83 -6.721 -2.576 9.588 1.00 0.00 N ATOM 983 CA GLU A 83 -6.191 -1.224 9.729 1.00 0.00 C ATOM 984 C GLU A 83 -6.803 -0.364 8.637 1.00 0.00 C ATOM 985 O GLU A 83 -7.183 0.761 8.923 1.00 0.00 O ATOM 986 CB GLU A 83 -4.638 -1.137 9.688 1.00 0.00 C ATOM 987 CG GLU A 83 -3.933 -1.952 10.807 1.00 0.00 C ATOM 988 CD GLU A 83 -4.411 -1.567 12.186 1.00 0.00 C ATOM 989 OE1 GLU A 83 -4.471 -0.339 12.468 1.00 0.00 O ATOM 990 OE2 GLU A 83 -4.732 -2.481 12.995 1.00 0.00 O ATOM 0 H GLU A 83 -6.027 -3.308 9.438 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.464 -0.865 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.289 -1.492 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.340 -0.092 9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.112 -3.015 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.856 -1.797 10.742 1.00 0.00 H new ATOM 997 N MET A 84 -6.936 -0.861 7.382 1.00 0.00 N ATOM 998 CA MET A 84 -7.575 -0.048 6.349 1.00 0.00 C ATOM 999 C MET A 84 -8.960 0.348 6.809 1.00 0.00 C ATOM 1000 O MET A 84 -9.300 1.517 6.718 1.00 0.00 O ATOM 1001 CB MET A 84 -7.686 -0.713 4.947 1.00 0.00 C ATOM 1002 CG MET A 84 -6.299 -0.959 4.298 1.00 0.00 C ATOM 1003 SD MET A 84 -6.413 -2.080 2.859 1.00 0.00 S ATOM 1004 CE MET A 84 -7.819 -1.406 1.916 1.00 0.00 C ATOM 0 H MET A 84 -6.620 -1.783 7.081 1.00 0.00 H new ATOM 0 HA MET A 84 -6.919 0.813 6.218 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.215 -1.662 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.283 -0.078 4.293 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.870 -0.007 3.984 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.622 -1.385 5.038 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.859 -1.879 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.746 -1.606 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.694 -0.330 1.796 1.00 0.00 H new ATOM 1014 N ASP A 85 -9.764 -0.619 7.308 1.00 0.00 N ATOM 1015 CA ASP A 85 -11.134 -0.309 7.712 1.00 0.00 C ATOM 1016 C ASP A 85 -11.116 0.842 8.697 1.00 0.00 C ATOM 1017 O ASP A 85 -11.893 1.774 8.549 1.00 0.00 O ATOM 1018 CB ASP A 85 -11.863 -1.545 8.310 1.00 0.00 C ATOM 1019 CG ASP A 85 -13.355 -1.353 8.435 1.00 0.00 C ATOM 1020 OD1 ASP A 85 -13.919 -0.499 7.696 1.00 0.00 O ATOM 1021 OD2 ASP A 85 -13.981 -2.060 9.271 1.00 0.00 O ATOM 0 H ASP A 85 -9.488 -1.593 7.434 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.696 -0.019 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.666 -2.414 7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.448 -1.763 9.294 1.00 0.00 H new ATOM 1026 N GLU A 86 -10.206 0.780 9.699 1.00 0.00 N ATOM 1027 CA GLU A 86 -10.074 1.870 10.667 1.00 0.00 C ATOM 1028 C GLU A 86 -9.942 3.211 9.982 1.00 0.00 C ATOM 1029 O GLU A 86 -10.500 4.173 10.484 1.00 0.00 O ATOM 1030 CB GLU A 86 -8.844 1.715 11.621 1.00 0.00 C ATOM 1031 CG GLU A 86 -9.241 1.156 13.013 1.00 0.00 C ATOM 1032 CD GLU A 86 -9.889 2.247 13.834 1.00 0.00 C ATOM 1033 OE1 GLU A 86 -9.139 3.023 14.488 1.00 0.00 O ATOM 1034 OE2 GLU A 86 -11.147 2.345 13.827 1.00 0.00 O ATOM 0 H GLU A 86 -9.568 -0.002 9.848 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.989 1.819 11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.112 1.051 11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.360 2.684 11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.928 0.318 12.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.359 0.775 13.528 1.00 0.00 H new ATOM 1041 N TYR A 87 -9.191 3.315 8.865 1.00 0.00 N ATOM 1042 CA TYR A 87 -8.935 4.639 8.299 1.00 0.00 C ATOM 1043 C TYR A 87 -10.194 5.306 7.807 1.00 0.00 C ATOM 1044 O TYR A 87 -10.406 6.471 8.102 1.00 0.00 O ATOM 1045 CB TYR A 87 -7.981 4.585 7.080 1.00 0.00 C ATOM 1046 CG TYR A 87 -6.717 3.750 7.330 1.00 0.00 C ATOM 1047 CD1 TYR A 87 -6.193 3.503 8.602 1.00 0.00 C ATOM 1048 CD2 TYR A 87 -6.066 3.214 6.212 1.00 0.00 C ATOM 1049 CE1 TYR A 87 -5.160 2.570 8.753 1.00 0.00 C ATOM 1050 CE2 TYR A 87 -4.956 2.381 6.354 1.00 0.00 C ATOM 1051 CZ TYR A 87 -4.535 2.004 7.641 1.00 0.00 C ATOM 1052 OH TYR A 87 -3.511 1.065 7.813 1.00 0.00 O ATOM 0 H TYR A 87 -8.772 2.532 8.363 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.489 5.201 9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.518 4.171 6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.689 5.600 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.582 4.028 9.462 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.430 3.450 5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.842 2.284 9.745 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.425 2.029 5.482 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.186 0.771 6.936 1.00 0.00 H new ATOM 1062 N ILE A 88 -11.028 4.572 7.038 1.00 0.00 N ATOM 1063 CA ILE A 88 -12.234 5.185 6.490 1.00 0.00 C ATOM 1064 C ILE A 88 -13.134 5.509 7.665 1.00 0.00 C ATOM 1065 O ILE A 88 -13.776 6.547 7.660 1.00 0.00 O ATOM 1066 CB ILE A 88 -12.953 4.276 5.444 1.00 0.00 C ATOM 1067 CG1 ILE A 88 -11.958 3.698 4.381 1.00 0.00 C ATOM 1068 CG2 ILE A 88 -14.086 5.078 4.741 1.00 0.00 C ATOM 1069 CD1 ILE A 88 -11.766 2.163 4.511 1.00 0.00 C ATOM 0 H ILE A 88 -10.888 3.591 6.795 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.972 6.088 5.939 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.381 3.428 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.325 3.931 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.992 4.191 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.585 4.440 4.012 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.809 5.414 5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.659 5.943 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.067 1.818 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.371 1.928 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.725 1.664 4.376 1.00 0.00 H new ATOM 1081 N ARG A 89 -13.174 4.634 8.696 1.00 0.00 N ATOM 1082 CA ARG A 89 -13.961 4.933 9.895 1.00 0.00 C ATOM 1083 C ARG A 89 -13.357 6.104 10.650 1.00 0.00 C ATOM 1084 O ARG A 89 -14.097 6.860 11.261 1.00 0.00 O ATOM 1085 CB ARG A 89 -14.072 3.653 10.775 1.00 0.00 C ATOM 1086 CG ARG A 89 -14.936 2.582 10.043 1.00 0.00 C ATOM 1087 CD ARG A 89 -14.859 1.159 10.666 1.00 0.00 C ATOM 1088 NE ARG A 89 -16.172 0.494 10.685 1.00 0.00 N ATOM 1089 CZ ARG A 89 -16.851 0.135 9.613 1.00 0.00 C ATOM 1090 NH1 ARG A 89 -16.392 0.271 8.392 1.00 0.00 N ATOM 1091 NH2 ARG A 89 -18.050 -0.383 9.774 1.00 0.00 N ATOM 0 H ARG A 89 -12.682 3.741 8.716 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.970 5.231 9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.078 3.254 10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.521 3.900 11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.976 2.910 10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.619 2.527 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.153 0.552 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.473 1.229 11.683 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.588 0.296 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.467 0.671 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.960 -0.024 7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.434 -0.499 10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.596 -0.669 8.961 1.00 0.00 H new ATOM 1105 N ASN A 90 -12.017 6.282 10.610 1.00 0.00 N ATOM 1106 CA ASN A 90 -11.380 7.442 11.238 1.00 0.00 C ATOM 1107 C ASN A 90 -11.504 8.683 10.378 1.00 0.00 C ATOM 1108 O ASN A 90 -11.347 9.766 10.923 1.00 0.00 O ATOM 1109 CB ASN A 90 -9.875 7.156 11.498 1.00 0.00 C ATOM 1110 CG ASN A 90 -9.174 8.299 12.201 1.00 0.00 C ATOM 1111 OD1 ASN A 90 -8.359 8.967 11.583 1.00 0.00 O ATOM 1112 ND2 ASN A 90 -9.468 8.549 13.497 1.00 0.00 N ATOM 0 H ASN A 90 -11.369 5.640 10.153 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.895 7.621 12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.780 6.252 12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.378 6.960 10.548 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.004 9.314 13.987 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.154 7.972 13.985 1.00 0.00 H new