USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 48 LYS NZ :NH3+ 175:sc= -0.719 (180deg=-0.722) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -2.4 K(o=-2.4,f=-5.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000282 USER MOD Single : A 12 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.45) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 30:sc= -1.09 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.7!) USER MOD Single : A 63 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -60:sc= 1.17 USER MOD Single : A 76 THR OG1 : rot -61:sc= -0.676! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.1) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 105 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.145 -4.590 -2.941 1.00 0.00 N ATOM 2 CA MET A 1 2.323 -5.388 -1.994 1.00 0.00 C ATOM 3 C MET A 1 0.844 -5.317 -2.355 1.00 0.00 C ATOM 4 O MET A 1 0.204 -6.338 -2.608 1.00 0.00 O ATOM 5 CB MET A 1 2.545 -4.842 -0.583 1.00 0.00 C ATOM 6 CG MET A 1 3.821 -5.348 0.069 1.00 0.00 C ATOM 7 SD MET A 1 3.703 -7.074 0.573 1.00 0.00 S ATOM 8 CE MET A 1 5.300 -7.311 1.348 1.00 0.00 C ATOM 0 H1 MET A 1 4.147 -4.656 -2.672 1.00 0.00 H new ATOM 0 H2 MET A 1 3.021 -4.959 -3.905 1.00 0.00 H new ATOM 0 H3 MET A 1 2.843 -3.595 -2.910 1.00 0.00 H new ATOM 0 HA MET A 1 2.626 -6.434 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.574 -3.753 -0.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.694 -5.115 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.651 -5.233 -0.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.048 -4.733 0.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.379 -8.335 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.089 -7.123 0.620 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.405 -6.619 2.184 1.00 0.00 H new ATOM 20 N VAL A 2 0.309 -4.102 -2.382 1.00 0.00 N ATOM 21 CA VAL A 2 -1.092 -3.885 -2.716 1.00 0.00 C ATOM 22 C VAL A 2 -1.234 -3.412 -4.154 1.00 0.00 C ATOM 23 O VAL A 2 -0.350 -2.736 -4.684 1.00 0.00 O ATOM 24 CB VAL A 2 -1.742 -2.852 -1.768 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.232 -2.692 -2.056 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.516 -3.251 -0.318 1.00 0.00 C ATOM 0 H VAL A 2 0.828 -3.249 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.606 -4.839 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.266 -1.887 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.658 -1.958 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.370 -2.353 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.734 -3.650 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.979 -2.514 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.961 -4.229 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.446 -3.295 -0.115 1.00 0.00 H new ATOM 36 N LYS A 3 -2.337 -3.783 -4.792 1.00 0.00 N ATOM 37 CA LYS A 3 -2.569 -3.403 -6.174 1.00 0.00 C ATOM 38 C LYS A 3 -4.046 -3.154 -6.420 1.00 0.00 C ATOM 39 O LYS A 3 -4.879 -4.042 -6.242 1.00 0.00 O ATOM 40 CB LYS A 3 -2.063 -4.498 -7.118 1.00 0.00 C ATOM 41 CG LYS A 3 -2.333 -5.914 -6.622 1.00 0.00 C ATOM 42 CD LYS A 3 -1.402 -6.918 -7.281 1.00 0.00 C ATOM 43 CE LYS A 3 -0.114 -7.087 -6.488 1.00 0.00 C ATOM 44 NZ LYS A 3 0.954 -7.741 -7.295 1.00 0.00 N ATOM 0 H LYS A 3 -3.080 -4.344 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.021 -2.481 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.533 -4.369 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.990 -4.372 -7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.206 -5.953 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.368 -6.183 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.906 -7.881 -7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.167 -6.588 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.234 -6.111 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.312 -7.683 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.814 -7.838 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.633 -8.683 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.161 -7.160 -8.132 1.00 0.00 H new ATOM 58 N GLN A 4 -4.363 -1.933 -6.827 1.00 0.00 N ATOM 59 CA GLN A 4 -5.738 -1.559 -7.100 1.00 0.00 C ATOM 60 C GLN A 4 -6.204 -2.225 -8.392 1.00 0.00 C ATOM 61 O GLN A 4 -5.549 -2.119 -9.429 1.00 0.00 O ATOM 62 CB GLN A 4 -5.857 -0.033 -7.193 1.00 0.00 C ATOM 63 CG GLN A 4 -7.172 0.462 -7.779 1.00 0.00 C ATOM 64 CD GLN A 4 -8.385 -0.020 -7.006 1.00 0.00 C ATOM 65 OE1 GLN A 4 -9.117 -0.896 -7.463 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.608 0.558 -5.830 1.00 0.00 N ATOM 0 H GLN A 4 -3.684 -1.186 -6.975 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.378 -1.900 -6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.736 0.390 -6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.036 0.347 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.168 1.552 -7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.251 0.128 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.975 1.281 -5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.412 0.278 -5.269 1.00 0.00 H new ATOM 75 N ILE A 5 -7.336 -2.914 -8.322 1.00 0.00 N ATOM 76 CA ILE A 5 -7.883 -3.602 -9.485 1.00 0.00 C ATOM 77 C ILE A 5 -9.020 -2.792 -10.101 1.00 0.00 C ATOM 78 O ILE A 5 -10.101 -2.674 -9.524 1.00 0.00 O ATOM 79 CB ILE A 5 -8.346 -5.037 -9.113 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.204 -6.036 -9.336 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.572 -5.466 -9.911 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.831 -5.503 -8.977 1.00 0.00 C ATOM 0 H ILE A 5 -7.893 -3.011 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.095 -3.695 -10.232 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.623 -5.027 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.399 -6.931 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.201 -6.339 -10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.861 -6.475 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.395 -4.780 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.337 -5.449 -10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.082 -6.272 -9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.611 -4.626 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.812 -5.227 -7.923 1.00 0.00 H new ATOM 94 N GLU A 6 -8.763 -2.232 -11.278 1.00 0.00 N ATOM 95 CA GLU A 6 -9.759 -1.431 -11.975 1.00 0.00 C ATOM 96 C GLU A 6 -10.432 -2.210 -13.098 1.00 0.00 C ATOM 97 O GLU A 6 -11.021 -1.617 -14.003 1.00 0.00 O ATOM 98 CB GLU A 6 -9.121 -0.159 -12.537 1.00 0.00 C ATOM 99 CG GLU A 6 -9.209 1.036 -11.602 1.00 0.00 C ATOM 100 CD GLU A 6 -8.663 2.304 -12.229 1.00 0.00 C ATOM 101 OE1 GLU A 6 -9.355 2.883 -13.094 1.00 0.00 O ATOM 102 OE2 GLU A 6 -7.545 2.717 -11.858 1.00 0.00 O ATOM 0 H GLU A 6 -7.873 -2.319 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.525 -1.163 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.073 -0.358 -12.760 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.605 0.093 -13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.249 1.194 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.657 0.819 -10.688 1.00 0.00 H new ATOM 109 N SER A 7 -10.340 -3.532 -13.055 1.00 0.00 N ATOM 110 CA SER A 7 -10.943 -4.357 -14.097 1.00 0.00 C ATOM 111 C SER A 7 -11.280 -5.753 -13.582 1.00 0.00 C ATOM 112 O SER A 7 -10.749 -6.201 -12.565 1.00 0.00 O ATOM 113 CB SER A 7 -9.999 -4.462 -15.295 1.00 0.00 C ATOM 114 OG SER A 7 -10.722 -4.494 -16.513 1.00 0.00 O ATOM 0 H SER A 7 -9.860 -4.053 -12.321 1.00 0.00 H new ATOM 0 HA SER A 7 -11.872 -3.877 -14.404 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.314 -3.614 -15.297 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.391 -5.363 -15.205 1.00 0.00 H new ATOM 0 HG SER A 7 -10.095 -4.560 -17.264 1.00 0.00 H new ATOM 120 N LYS A 8 -12.159 -6.438 -14.305 1.00 0.00 N ATOM 121 CA LYS A 8 -12.570 -7.787 -13.942 1.00 0.00 C ATOM 122 C LYS A 8 -11.458 -8.789 -14.236 1.00 0.00 C ATOM 123 O LYS A 8 -11.351 -9.825 -13.580 1.00 0.00 O ATOM 124 CB LYS A 8 -13.837 -8.169 -14.707 1.00 0.00 C ATOM 125 CG LYS A 8 -14.405 -9.522 -14.315 1.00 0.00 C ATOM 126 CD LYS A 8 -14.955 -10.264 -15.522 1.00 0.00 C ATOM 127 CE LYS A 8 -13.864 -11.027 -16.255 1.00 0.00 C ATOM 128 NZ LYS A 8 -14.375 -12.302 -16.831 1.00 0.00 N ATOM 0 H LYS A 8 -12.602 -6.078 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.777 -7.809 -12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.596 -7.405 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.618 -8.173 -15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.627 -10.121 -13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.196 -9.386 -13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.732 -10.958 -15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.424 -9.554 -16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.458 -10.405 -17.052 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.045 -11.240 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.603 -12.795 -17.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.740 -12.906 -16.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.140 -12.096 -17.505 1.00 0.00 H new ATOM 142 N THR A 9 -10.630 -8.469 -15.226 1.00 0.00 N ATOM 143 CA THR A 9 -9.521 -9.334 -15.613 1.00 0.00 C ATOM 144 C THR A 9 -8.341 -9.158 -14.663 1.00 0.00 C ATOM 145 O THR A 9 -7.572 -10.091 -14.432 1.00 0.00 O ATOM 146 CB THR A 9 -9.085 -9.026 -17.046 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.188 -8.587 -17.818 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.472 -10.213 -17.754 1.00 0.00 C ATOM 0 H THR A 9 -10.707 -7.614 -15.776 1.00 0.00 H new ATOM 0 HA THR A 9 -9.860 -10.368 -15.557 1.00 0.00 H new ATOM 0 HB THR A 9 -8.327 -8.248 -16.958 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.891 -8.393 -18.732 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.185 -9.925 -18.765 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.590 -10.547 -17.208 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.199 -11.024 -17.800 1.00 0.00 H new ATOM 156 N ALA A 10 -8.199 -7.952 -14.125 1.00 0.00 N ATOM 157 CA ALA A 10 -7.109 -7.651 -13.208 1.00 0.00 C ATOM 158 C ALA A 10 -7.255 -8.441 -11.913 1.00 0.00 C ATOM 159 O ALA A 10 -6.280 -8.991 -11.401 1.00 0.00 O ATOM 160 CB ALA A 10 -7.054 -6.157 -12.918 1.00 0.00 C ATOM 0 H ALA A 10 -8.825 -7.168 -14.309 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.174 -7.947 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.234 -5.950 -12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.895 -5.611 -13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.994 -5.839 -12.467 1.00 0.00 H new ATOM 166 N PHE A 11 -8.478 -8.519 -11.398 1.00 0.00 N ATOM 167 CA PHE A 11 -8.737 -9.259 -10.164 1.00 0.00 C ATOM 168 C PHE A 11 -8.240 -10.693 -10.296 1.00 0.00 C ATOM 169 O PHE A 11 -7.629 -11.236 -9.376 1.00 0.00 O ATOM 170 CB PHE A 11 -10.235 -9.234 -9.835 1.00 0.00 C ATOM 171 CG PHE A 11 -10.542 -9.529 -8.394 1.00 0.00 C ATOM 172 CD1 PHE A 11 -9.833 -8.905 -7.379 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.537 -10.432 -8.053 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.109 -9.176 -6.055 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.817 -10.705 -6.727 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.102 -10.077 -5.727 1.00 0.00 C ATOM 0 H PHE A 11 -9.302 -8.082 -11.812 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.197 -8.781 -9.347 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.638 -8.254 -10.090 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.748 -9.962 -10.463 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.055 -8.198 -7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.099 -10.927 -8.831 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.548 -8.683 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.595 -11.410 -6.473 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.319 -10.290 -4.691 1.00 0.00 H new ATOM 186 N GLN A 12 -8.480 -11.288 -11.457 1.00 0.00 N ATOM 187 CA GLN A 12 -8.029 -12.647 -11.720 1.00 0.00 C ATOM 188 C GLN A 12 -6.505 -12.688 -11.780 1.00 0.00 C ATOM 189 O GLN A 12 -5.872 -13.582 -11.218 1.00 0.00 O ATOM 190 CB GLN A 12 -8.621 -13.165 -13.032 1.00 0.00 C ATOM 191 CG GLN A 12 -10.127 -13.359 -12.984 1.00 0.00 C ATOM 192 CD GLN A 12 -10.566 -14.221 -11.817 1.00 0.00 C ATOM 193 OE1 GLN A 12 -10.739 -15.433 -11.954 1.00 0.00 O ATOM 194 NE2 GLN A 12 -10.747 -13.600 -10.657 1.00 0.00 N ATOM 0 H GLN A 12 -8.983 -10.852 -12.230 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.371 -13.290 -10.909 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.378 -12.465 -13.832 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.148 -14.114 -13.285 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.613 -12.386 -12.915 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.461 -13.817 -13.915 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.592 -12.594 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.040 -14.129 -9.836 1.00 0.00 H new ATOM 203 N GLU A 13 -5.927 -11.709 -12.474 1.00 0.00 N ATOM 204 CA GLU A 13 -4.479 -11.621 -12.629 1.00 0.00 C ATOM 205 C GLU A 13 -3.777 -11.534 -11.276 1.00 0.00 C ATOM 206 O GLU A 13 -2.809 -12.253 -11.025 1.00 0.00 O ATOM 207 CB GLU A 13 -4.113 -10.405 -13.482 1.00 0.00 C ATOM 208 CG GLU A 13 -4.075 -10.697 -14.974 1.00 0.00 C ATOM 209 CD GLU A 13 -3.957 -9.438 -15.812 1.00 0.00 C ATOM 210 OE1 GLU A 13 -2.817 -8.977 -16.033 1.00 0.00 O ATOM 211 OE2 GLU A 13 -5.004 -8.913 -16.246 1.00 0.00 O ATOM 0 H GLU A 13 -6.444 -10.963 -12.939 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.142 -12.530 -13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.834 -9.610 -13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.138 -10.032 -13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.232 -11.353 -15.191 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.979 -11.235 -15.258 1.00 0.00 H new ATOM 218 N ALA A 14 -4.266 -10.656 -10.407 1.00 0.00 N ATOM 219 CA ALA A 14 -3.676 -10.486 -9.086 1.00 0.00 C ATOM 220 C ALA A 14 -3.846 -11.748 -8.247 1.00 0.00 C ATOM 221 O ALA A 14 -3.003 -12.065 -7.409 1.00 0.00 O ATOM 222 CB ALA A 14 -4.297 -9.293 -8.378 1.00 0.00 C ATOM 0 H ALA A 14 -5.067 -10.053 -10.594 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.609 -10.302 -9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.846 -9.179 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.122 -8.391 -8.964 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.370 -9.452 -8.269 1.00 0.00 H new ATOM 228 N LEU A 15 -4.939 -12.464 -8.482 1.00 0.00 N ATOM 229 CA LEU A 15 -5.218 -13.692 -7.748 1.00 0.00 C ATOM 230 C LEU A 15 -4.223 -14.787 -8.130 1.00 0.00 C ATOM 231 O LEU A 15 -3.758 -15.552 -7.277 1.00 0.00 O ATOM 232 CB LEU A 15 -6.653 -14.152 -8.016 1.00 0.00 C ATOM 233 CG LEU A 15 -7.719 -13.477 -7.152 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.096 -13.633 -7.780 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.702 -14.058 -5.747 1.00 0.00 C ATOM 0 H LEU A 15 -5.646 -12.216 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.109 -13.492 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.887 -13.969 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.709 -15.229 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.493 -12.413 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.840 -13.146 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.100 -13.173 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.336 -14.692 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.465 -13.569 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.906 -15.128 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.723 -13.894 -5.297 1.00 0.00 H new ATOM 247 N ASP A 16 -3.884 -14.850 -9.416 1.00 0.00 N ATOM 248 CA ASP A 16 -2.935 -15.844 -9.906 1.00 0.00 C ATOM 249 C ASP A 16 -1.589 -15.663 -9.220 1.00 0.00 C ATOM 250 O ASP A 16 -0.883 -16.633 -8.940 1.00 0.00 O ATOM 251 CB ASP A 16 -2.771 -15.729 -11.424 1.00 0.00 C ATOM 252 CG ASP A 16 -2.531 -17.075 -12.082 1.00 0.00 C ATOM 253 OD1 ASP A 16 -1.758 -17.881 -11.521 1.00 0.00 O ATOM 254 OD2 ASP A 16 -3.116 -17.322 -13.157 1.00 0.00 O ATOM 0 H ASP A 16 -4.252 -14.226 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.322 -16.836 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.665 -15.273 -11.850 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.937 -15.064 -11.648 1.00 0.00 H new ATOM 259 N ALA A 17 -1.252 -14.412 -8.927 1.00 0.00 N ATOM 260 CA ALA A 17 -0.010 -14.094 -8.240 1.00 0.00 C ATOM 261 C ALA A 17 -0.127 -14.410 -6.752 1.00 0.00 C ATOM 262 O ALA A 17 0.874 -14.625 -6.068 1.00 0.00 O ATOM 263 CB ALA A 17 0.351 -12.633 -8.449 1.00 0.00 C ATOM 0 H ALA A 17 -1.825 -13.600 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 17 0.786 -14.709 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.283 -12.410 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.474 -12.437 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.445 -12.001 -8.054 1.00 0.00 H new ATOM 269 N ALA A 18 -1.365 -14.443 -6.259 1.00 0.00 N ATOM 270 CA ALA A 18 -1.623 -14.737 -4.857 1.00 0.00 C ATOM 271 C ALA A 18 -1.237 -16.168 -4.523 1.00 0.00 C ATOM 272 O ALA A 18 -0.819 -16.456 -3.402 1.00 0.00 O ATOM 273 CB ALA A 18 -3.084 -14.482 -4.521 1.00 0.00 C ATOM 0 H ALA A 18 -2.203 -14.269 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.008 -14.072 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.260 -14.707 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.325 -13.437 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.716 -15.120 -5.139 1.00 0.00 H new ATOM 279 N GLY A 19 -1.365 -17.073 -5.496 1.00 0.00 N ATOM 280 CA GLY A 19 -1.005 -18.461 -5.264 1.00 0.00 C ATOM 281 C GLY A 19 -1.704 -19.064 -4.067 1.00 0.00 C ATOM 282 O GLY A 19 -2.934 -19.065 -3.989 1.00 0.00 O ATOM 0 H GLY A 19 -1.710 -16.869 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.247 -19.046 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.073 -18.531 -5.121 1.00 0.00 H new ATOM 286 N ASP A 20 -0.917 -19.583 -3.135 1.00 0.00 N ATOM 287 CA ASP A 20 -1.459 -20.202 -1.936 1.00 0.00 C ATOM 288 C ASP A 20 -1.543 -19.200 -0.786 1.00 0.00 C ATOM 289 O ASP A 20 -1.910 -19.559 0.333 1.00 0.00 O ATOM 290 CB ASP A 20 -0.596 -21.400 -1.534 1.00 0.00 C ATOM 291 CG ASP A 20 0.788 -20.994 -1.060 1.00 0.00 C ATOM 292 OD1 ASP A 20 1.144 -19.806 -1.212 1.00 0.00 O ATOM 293 OD2 ASP A 20 1.516 -21.864 -0.538 1.00 0.00 O ATOM 0 H ASP A 20 0.102 -19.587 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.470 -20.545 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.099 -21.955 -0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.501 -22.075 -2.384 1.00 0.00 H new ATOM 298 N LYS A 21 -1.216 -17.940 -1.067 1.00 0.00 N ATOM 299 CA LYS A 21 -1.271 -16.896 -0.062 1.00 0.00 C ATOM 300 C LYS A 21 -2.705 -16.439 0.136 1.00 0.00 C ATOM 301 O LYS A 21 -3.507 -16.461 -0.798 1.00 0.00 O ATOM 302 CB LYS A 21 -0.399 -15.709 -0.482 1.00 0.00 C ATOM 303 CG LYS A 21 1.076 -16.060 -0.621 1.00 0.00 C ATOM 304 CD LYS A 21 1.823 -15.013 -1.430 1.00 0.00 C ATOM 305 CE LYS A 21 3.328 -15.132 -1.241 1.00 0.00 C ATOM 306 NZ LYS A 21 3.949 -16.009 -2.273 1.00 0.00 N ATOM 0 H LYS A 21 -0.910 -17.623 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.892 -17.296 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.763 -15.319 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.507 -14.911 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.526 -16.146 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.176 -17.033 -1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.578 -15.125 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.495 -14.018 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.779 -14.141 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.539 -15.532 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.975 -16.064 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.537 -16.962 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.770 -15.614 -3.218 1.00 0.00 H new ATOM 320 N LEU A 22 -3.026 -16.009 1.345 1.00 0.00 N ATOM 321 CA LEU A 22 -4.366 -15.532 1.645 1.00 0.00 C ATOM 322 C LEU A 22 -4.550 -14.134 1.072 1.00 0.00 C ATOM 323 O LEU A 22 -3.668 -13.284 1.197 1.00 0.00 O ATOM 324 CB LEU A 22 -4.596 -15.523 3.160 1.00 0.00 C ATOM 325 CG LEU A 22 -5.875 -14.824 3.635 1.00 0.00 C ATOM 326 CD1 LEU A 22 -7.064 -15.200 2.762 1.00 0.00 C ATOM 327 CD2 LEU A 22 -6.154 -15.177 5.087 1.00 0.00 C ATOM 0 H LEU A 22 -2.379 -15.980 2.133 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.096 -16.201 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.616 -16.554 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.742 -15.040 3.636 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.725 -13.748 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.957 -14.689 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.867 -14.903 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.221 -16.278 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.065 -14.675 5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.280 -16.256 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.318 -14.853 5.707 1.00 0.00 H new ATOM 339 N VAL A 23 -5.685 -13.901 0.425 1.00 0.00 N ATOM 340 CA VAL A 23 -5.948 -12.604 -0.177 1.00 0.00 C ATOM 341 C VAL A 23 -7.084 -11.873 0.519 1.00 0.00 C ATOM 342 O VAL A 23 -8.246 -12.280 0.457 1.00 0.00 O ATOM 343 CB VAL A 23 -6.261 -12.727 -1.681 1.00 0.00 C ATOM 344 CG1 VAL A 23 -6.181 -11.366 -2.356 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.310 -13.714 -2.348 1.00 0.00 C ATOM 0 H VAL A 23 -6.430 -14.587 0.305 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.035 -12.022 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.278 -13.105 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.405 -11.473 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.904 -10.690 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.177 -10.959 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.547 -13.787 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.283 -13.368 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.419 -14.694 -1.884 1.00 0.00 H new ATOM 355 N VAL A 24 -6.730 -10.773 1.167 1.00 0.00 N ATOM 356 CA VAL A 24 -7.697 -9.947 1.860 1.00 0.00 C ATOM 357 C VAL A 24 -7.917 -8.683 1.050 1.00 0.00 C ATOM 358 O VAL A 24 -7.015 -7.860 0.900 1.00 0.00 O ATOM 359 CB VAL A 24 -7.228 -9.589 3.285 1.00 0.00 C ATOM 360 CG1 VAL A 24 -5.887 -8.868 3.247 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.279 -8.752 4.000 1.00 0.00 C ATOM 0 H VAL A 24 -5.770 -10.433 1.225 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.628 -10.504 1.960 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.095 -10.514 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.576 -8.625 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.140 -9.512 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.984 -7.950 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.930 -8.509 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.451 -7.831 3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.210 -9.315 4.066 1.00 0.00 H new ATOM 371 N VAL A 25 -9.113 -8.551 0.502 1.00 0.00 N ATOM 372 CA VAL A 25 -9.440 -7.407 -0.330 1.00 0.00 C ATOM 373 C VAL A 25 -10.641 -6.640 0.211 1.00 0.00 C ATOM 374 O VAL A 25 -11.357 -7.114 1.092 1.00 0.00 O ATOM 375 CB VAL A 25 -9.702 -7.854 -1.781 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.398 -8.180 -2.481 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.602 -9.069 -1.815 1.00 0.00 C ATOM 0 H VAL A 25 -9.873 -9.222 0.618 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.583 -6.734 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.194 -7.030 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.603 -8.494 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.761 -7.296 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.891 -8.985 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.773 -9.366 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.127 -9.889 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.555 -8.829 -1.344 1.00 0.00 H new ATOM 387 N ASP A 26 -10.848 -5.443 -0.322 1.00 0.00 N ATOM 388 CA ASP A 26 -11.952 -4.599 0.113 1.00 0.00 C ATOM 389 C ASP A 26 -12.696 -3.991 -1.070 1.00 0.00 C ATOM 390 O ASP A 26 -12.085 -3.454 -1.994 1.00 0.00 O ATOM 391 CB ASP A 26 -11.431 -3.489 1.028 1.00 0.00 C ATOM 392 CG ASP A 26 -12.547 -2.695 1.679 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.605 -2.518 1.038 1.00 0.00 O ATOM 394 OD2 ASP A 26 -12.363 -2.248 2.830 1.00 0.00 O ATOM 0 H ASP A 26 -10.267 -5.036 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.655 -5.226 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.803 -3.928 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.800 -2.814 0.450 1.00 0.00 H new ATOM 399 N PHE A 27 -14.024 -4.044 -1.010 1.00 0.00 N ATOM 400 CA PHE A 27 -14.867 -3.469 -2.055 1.00 0.00 C ATOM 401 C PHE A 27 -15.301 -2.067 -1.636 1.00 0.00 C ATOM 402 O PHE A 27 -16.123 -1.912 -0.730 1.00 0.00 O ATOM 403 CB PHE A 27 -16.090 -4.354 -2.299 1.00 0.00 C ATOM 404 CG PHE A 27 -15.877 -5.329 -3.417 1.00 0.00 C ATOM 405 CD1 PHE A 27 -15.138 -6.485 -3.215 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.389 -5.076 -4.679 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.915 -7.371 -4.252 1.00 0.00 C ATOM 408 CE2 PHE A 27 -16.174 -5.961 -5.719 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.435 -7.109 -5.505 1.00 0.00 C ATOM 0 H PHE A 27 -14.541 -4.480 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.300 -3.409 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.328 -4.899 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.950 -3.725 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.732 -6.695 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.962 -4.177 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -14.335 -8.267 -4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.583 -5.756 -6.697 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.264 -7.801 -6.317 1.00 0.00 H new ATOM 419 N SER A 28 -14.723 -1.049 -2.269 1.00 0.00 N ATOM 420 CA SER A 28 -15.032 0.336 -1.921 1.00 0.00 C ATOM 421 C SER A 28 -15.708 1.093 -3.065 1.00 0.00 C ATOM 422 O SER A 28 -16.112 0.510 -4.070 1.00 0.00 O ATOM 423 CB SER A 28 -13.751 1.066 -1.509 1.00 0.00 C ATOM 424 OG SER A 28 -12.967 0.268 -0.639 1.00 0.00 O ATOM 0 H SER A 28 -14.042 -1.155 -3.021 1.00 0.00 H new ATOM 0 HA SER A 28 -15.735 0.308 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.171 1.319 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.006 2.004 -1.016 1.00 0.00 H new ATOM 0 HG SER A 28 -12.154 0.756 -0.392 1.00 0.00 H new ATOM 430 N ALA A 29 -15.812 2.408 -2.882 1.00 0.00 N ATOM 431 CA ALA A 29 -16.421 3.295 -3.866 1.00 0.00 C ATOM 432 C ALA A 29 -15.816 4.692 -3.763 1.00 0.00 C ATOM 433 O ALA A 29 -15.374 5.102 -2.691 1.00 0.00 O ATOM 434 CB ALA A 29 -17.931 3.351 -3.665 1.00 0.00 C ATOM 0 H ALA A 29 -15.476 2.887 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.220 2.903 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.372 4.017 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.351 2.352 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.151 3.725 -2.665 1.00 0.00 H new ATOM 440 N THR A 30 -15.835 5.440 -4.862 1.00 0.00 N ATOM 441 CA THR A 30 -15.317 6.804 -4.852 1.00 0.00 C ATOM 442 C THR A 30 -16.261 7.703 -4.064 1.00 0.00 C ATOM 443 O THR A 30 -15.837 8.621 -3.363 1.00 0.00 O ATOM 444 CB THR A 30 -15.155 7.333 -6.277 1.00 0.00 C ATOM 445 OG1 THR A 30 -14.363 6.452 -7.052 1.00 0.00 O ATOM 446 CG2 THR A 30 -14.512 8.702 -6.332 1.00 0.00 C ATOM 0 H THR A 30 -16.200 5.129 -5.762 1.00 0.00 H new ATOM 0 HA THR A 30 -14.336 6.802 -4.376 1.00 0.00 H new ATOM 0 HB THR A 30 -16.166 7.406 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.273 6.807 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.425 9.022 -7.370 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.127 9.415 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.520 8.656 -5.882 1.00 0.00 H new ATOM 454 N TRP A 31 -17.553 7.418 -4.204 1.00 0.00 N ATOM 455 CA TRP A 31 -18.604 8.180 -3.535 1.00 0.00 C ATOM 456 C TRP A 31 -18.879 7.649 -2.121 1.00 0.00 C ATOM 457 O TRP A 31 -19.882 8.007 -1.505 1.00 0.00 O ATOM 458 CB TRP A 31 -19.885 8.099 -4.371 1.00 0.00 C ATOM 459 CG TRP A 31 -20.442 6.706 -4.446 1.00 0.00 C ATOM 460 CD1 TRP A 31 -20.060 5.708 -5.302 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.470 6.155 -3.619 1.00 0.00 C ATOM 462 NE1 TRP A 31 -20.789 4.570 -5.045 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.658 4.822 -4.020 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.248 6.658 -2.573 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.590 3.986 -3.415 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.174 5.827 -1.973 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.336 4.503 -2.396 1.00 0.00 C ATOM 0 H TRP A 31 -17.901 6.654 -4.783 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.272 9.214 -3.442 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -20.636 8.763 -3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -19.679 8.458 -5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.301 5.800 -6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -20.696 3.682 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -22.127 7.678 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -22.719 2.964 -3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -23.782 6.205 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.067 3.877 -1.906 1.00 0.00 H new ATOM 478 N CYS A 32 -17.995 6.790 -1.616 1.00 0.00 N ATOM 479 CA CYS A 32 -18.165 6.220 -0.283 1.00 0.00 C ATOM 480 C CYS A 32 -17.442 7.042 0.779 1.00 0.00 C ATOM 481 O CYS A 32 -16.499 7.776 0.480 1.00 0.00 O ATOM 482 CB CYS A 32 -17.669 4.772 -0.255 1.00 0.00 C ATOM 483 SG CYS A 32 -18.126 3.857 1.254 1.00 0.00 S ATOM 0 H CYS A 32 -17.158 6.476 -2.108 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.230 6.239 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.069 4.245 -1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.583 4.769 -0.354 1.00 0.00 H new ATOM 488 N GLY A 33 -17.891 6.902 2.025 1.00 0.00 N ATOM 489 CA GLY A 33 -17.281 7.623 3.128 1.00 0.00 C ATOM 490 C GLY A 33 -16.493 6.708 4.051 1.00 0.00 C ATOM 491 O GLY A 33 -15.265 6.776 4.089 1.00 0.00 O ATOM 0 H GLY A 33 -18.670 6.299 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.619 8.394 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.057 8.131 3.700 1.00 0.00 H new ATOM 495 N PRO A 34 -17.176 5.834 4.815 1.00 0.00 N ATOM 496 CA PRO A 34 -16.514 4.904 5.740 1.00 0.00 C ATOM 497 C PRO A 34 -15.489 4.018 5.035 1.00 0.00 C ATOM 498 O PRO A 34 -14.566 3.499 5.663 1.00 0.00 O ATOM 499 CB PRO A 34 -17.666 4.054 6.287 1.00 0.00 C ATOM 500 CG PRO A 34 -18.885 4.887 6.090 1.00 0.00 C ATOM 501 CD PRO A 34 -18.643 5.685 4.840 1.00 0.00 C ATOM 0 HA PRO A 34 -15.955 5.432 6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.745 3.106 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.516 3.816 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.772 4.262 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.052 5.542 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.010 5.167 3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.146 6.652 4.876 1.00 0.00 H new ATOM 509 N CYS A 35 -15.662 3.847 3.728 1.00 0.00 N ATOM 510 CA CYS A 35 -14.755 3.024 2.935 1.00 0.00 C ATOM 511 C CYS A 35 -13.329 3.563 3.002 1.00 0.00 C ATOM 512 O CYS A 35 -12.371 2.803 3.144 1.00 0.00 O ATOM 513 CB CYS A 35 -15.225 2.977 1.478 1.00 0.00 C ATOM 514 SG CYS A 35 -16.882 2.251 1.250 1.00 0.00 S ATOM 0 H CYS A 35 -16.423 4.268 3.195 1.00 0.00 H new ATOM 0 HA CYS A 35 -14.762 2.016 3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.226 3.990 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.506 2.403 0.894 1.00 0.00 H new ATOM 519 N LYS A 36 -13.196 4.881 2.907 1.00 0.00 N ATOM 520 CA LYS A 36 -11.890 5.531 2.962 1.00 0.00 C ATOM 521 C LYS A 36 -11.270 5.419 4.356 1.00 0.00 C ATOM 522 O LYS A 36 -10.063 5.594 4.522 1.00 0.00 O ATOM 523 CB LYS A 36 -12.019 7.003 2.570 1.00 0.00 C ATOM 524 CG LYS A 36 -11.914 7.249 1.074 1.00 0.00 C ATOM 525 CD LYS A 36 -12.749 8.446 0.649 1.00 0.00 C ATOM 526 CE LYS A 36 -11.890 9.685 0.451 1.00 0.00 C ATOM 527 NZ LYS A 36 -11.732 10.463 1.711 1.00 0.00 N ATOM 0 H LYS A 36 -13.980 5.524 2.791 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.234 5.023 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.978 7.382 2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.243 7.575 3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.871 7.416 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.245 6.362 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.273 8.214 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.509 8.646 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.908 9.390 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.340 10.320 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.140 11.299 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.667 10.768 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.279 9.867 2.433 1.00 0.00 H new ATOM 541 N MET A 37 -12.101 5.130 5.353 1.00 0.00 N ATOM 542 CA MET A 37 -11.630 5.002 6.728 1.00 0.00 C ATOM 543 C MET A 37 -10.861 3.700 6.944 1.00 0.00 C ATOM 544 O MET A 37 -10.021 3.611 7.840 1.00 0.00 O ATOM 545 CB MET A 37 -12.807 5.083 7.701 1.00 0.00 C ATOM 546 CG MET A 37 -13.647 6.338 7.530 1.00 0.00 C ATOM 547 SD MET A 37 -12.720 7.846 7.879 1.00 0.00 S ATOM 548 CE MET A 37 -13.602 8.464 9.310 1.00 0.00 C ATOM 0 H MET A 37 -13.103 4.980 5.235 1.00 0.00 H new ATOM 0 HA MET A 37 -10.946 5.829 6.919 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.443 4.208 7.564 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.428 5.045 8.722 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.029 6.379 6.510 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.511 6.286 8.192 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.146 9.396 9.644 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.644 8.645 9.045 1.00 0.00 H new ATOM 0 HE3 MET A 37 -13.554 7.728 10.113 1.00 0.00 H new ATOM 558 N ILE A 38 -11.150 2.689 6.128 1.00 0.00 N ATOM 559 CA ILE A 38 -10.483 1.394 6.252 1.00 0.00 C ATOM 560 C ILE A 38 -9.164 1.363 5.482 1.00 0.00 C ATOM 561 O ILE A 38 -8.281 0.560 5.780 1.00 0.00 O ATOM 562 CB ILE A 38 -11.375 0.244 5.740 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.820 0.420 6.223 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.816 -1.098 6.189 1.00 0.00 C ATOM 565 CD1 ILE A 38 -13.022 0.092 7.688 1.00 0.00 C ATOM 0 H ILE A 38 -11.838 2.740 5.377 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.286 1.255 7.315 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.379 0.269 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.129 1.450 6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.473 -0.216 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.455 -1.900 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.809 -1.224 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.782 -1.132 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.069 0.241 7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.746 -0.947 7.870 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.397 0.745 8.297 1.00 0.00 H new ATOM 577 N LYS A 39 -9.035 2.241 4.491 1.00 0.00 N ATOM 578 CA LYS A 39 -7.821 2.309 3.682 1.00 0.00 C ATOM 579 C LYS A 39 -6.568 2.395 4.557 1.00 0.00 C ATOM 580 O LYS A 39 -5.634 1.610 4.395 1.00 0.00 O ATOM 581 CB LYS A 39 -7.885 3.511 2.735 1.00 0.00 C ATOM 582 CG LYS A 39 -7.785 3.134 1.266 1.00 0.00 C ATOM 583 CD LYS A 39 -7.831 4.361 0.371 1.00 0.00 C ATOM 584 CE LYS A 39 -7.978 3.976 -1.093 1.00 0.00 C ATOM 585 NZ LYS A 39 -6.659 3.843 -1.769 1.00 0.00 N ATOM 0 H LYS A 39 -9.755 2.914 4.229 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.758 1.392 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.821 4.045 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.077 4.200 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.857 2.590 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.602 2.462 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.665 4.998 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.921 4.945 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.520 3.033 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.575 4.729 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.804 3.580 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.151 4.749 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.098 3.107 -1.294 1.00 0.00 H new ATOM 599 N PRO A 40 -6.533 3.359 5.495 1.00 0.00 N ATOM 600 CA PRO A 40 -5.386 3.553 6.391 1.00 0.00 C ATOM 601 C PRO A 40 -4.953 2.269 7.094 1.00 0.00 C ATOM 602 O PRO A 40 -3.769 1.936 7.115 1.00 0.00 O ATOM 603 CB PRO A 40 -5.901 4.571 7.411 1.00 0.00 C ATOM 604 CG PRO A 40 -6.967 5.322 6.693 1.00 0.00 C ATOM 605 CD PRO A 40 -7.603 4.341 5.747 1.00 0.00 C ATOM 0 HA PRO A 40 -4.502 3.879 5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.295 4.077 8.299 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.104 5.236 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.701 5.721 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.549 6.171 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.482 3.871 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.928 4.825 4.826 1.00 0.00 H new ATOM 613 N PHE A 41 -5.909 1.563 7.692 1.00 0.00 N ATOM 614 CA PHE A 41 -5.600 0.337 8.427 1.00 0.00 C ATOM 615 C PHE A 41 -5.417 -0.859 7.498 1.00 0.00 C ATOM 616 O PHE A 41 -4.679 -1.789 7.820 1.00 0.00 O ATOM 617 CB PHE A 41 -6.718 0.017 9.417 1.00 0.00 C ATOM 618 CG PHE A 41 -7.181 1.194 10.228 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.322 1.824 11.112 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.477 1.666 10.105 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.749 2.905 11.860 1.00 0.00 C ATOM 622 CE2 PHE A 41 -8.909 2.746 10.849 1.00 0.00 C ATOM 623 CZ PHE A 41 -8.043 3.367 11.728 1.00 0.00 C ATOM 0 H PHE A 41 -6.897 1.815 7.683 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.663 0.514 8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.568 -0.388 8.868 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.374 -0.764 10.095 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.308 1.467 11.218 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.158 1.184 9.419 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.070 3.388 12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.922 3.105 10.744 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.378 4.212 12.311 1.00 0.00 H new ATOM 633 N PHE A 42 -6.080 -0.840 6.348 1.00 0.00 N ATOM 634 CA PHE A 42 -5.962 -1.939 5.397 1.00 0.00 C ATOM 635 C PHE A 42 -4.551 -1.999 4.827 1.00 0.00 C ATOM 636 O PHE A 42 -3.938 -3.064 4.758 1.00 0.00 O ATOM 637 CB PHE A 42 -6.974 -1.770 4.264 1.00 0.00 C ATOM 638 CG PHE A 42 -7.359 -3.059 3.594 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.248 -3.931 4.201 1.00 0.00 C ATOM 640 CD2 PHE A 42 -6.840 -3.392 2.353 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.614 -5.111 3.580 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.200 -4.572 1.729 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.089 -5.431 2.344 1.00 0.00 C ATOM 0 H PHE A 42 -6.699 -0.085 6.053 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.170 -2.872 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.872 -1.295 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.559 -1.094 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.659 -3.687 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.146 -2.722 1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.310 -5.782 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.787 -4.821 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.373 -6.353 1.858 1.00 0.00 H new ATOM 653 N HIS A 43 -4.050 -0.841 4.413 1.00 0.00 N ATOM 654 CA HIS A 43 -2.716 -0.746 3.836 1.00 0.00 C ATOM 655 C HIS A 43 -1.642 -1.053 4.874 1.00 0.00 C ATOM 656 O HIS A 43 -0.653 -1.721 4.571 1.00 0.00 O ATOM 657 CB HIS A 43 -2.488 0.643 3.234 1.00 0.00 C ATOM 658 CG HIS A 43 -2.006 0.602 1.816 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.768 0.974 0.729 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.808 0.209 1.315 1.00 0.00 C ATOM 661 CE1 HIS A 43 -2.026 0.796 -0.373 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.828 0.335 -0.072 1.00 0.00 N ATOM 0 H HIS A 43 -4.549 0.047 4.467 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.643 -1.490 3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.419 1.208 3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.760 1.180 3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.029 -0.145 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.365 1.003 -1.377 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.072 0.116 -0.721 1.00 0.00 H new ATOM 670 N SER A 44 -1.834 -0.566 6.097 1.00 0.00 N ATOM 671 CA SER A 44 -0.869 -0.797 7.166 1.00 0.00 C ATOM 672 C SER A 44 -0.711 -2.291 7.433 1.00 0.00 C ATOM 673 O SER A 44 0.406 -2.793 7.578 1.00 0.00 O ATOM 674 CB SER A 44 -1.314 -0.083 8.443 1.00 0.00 C ATOM 675 OG SER A 44 -0.540 -0.493 9.556 1.00 0.00 O ATOM 0 H SER A 44 -2.645 -0.012 6.371 1.00 0.00 H new ATOM 0 HA SER A 44 0.094 -0.396 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.223 0.995 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.367 -0.293 8.632 1.00 0.00 H new ATOM 0 HG SER A 44 -0.845 -0.020 10.358 1.00 0.00 H new ATOM 681 N LEU A 45 -1.835 -2.999 7.491 1.00 0.00 N ATOM 682 CA LEU A 45 -1.813 -4.435 7.737 1.00 0.00 C ATOM 683 C LEU A 45 -1.016 -5.141 6.648 1.00 0.00 C ATOM 684 O LEU A 45 -0.225 -6.042 6.925 1.00 0.00 O ATOM 685 CB LEU A 45 -3.240 -4.988 7.786 1.00 0.00 C ATOM 686 CG LEU A 45 -4.080 -4.514 8.974 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.554 -4.482 8.608 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.851 -5.409 10.183 1.00 0.00 C ATOM 0 H LEU A 45 -2.767 -2.603 7.372 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.334 -4.617 8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.752 -4.710 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.191 -6.077 7.807 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.767 -3.502 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.135 -4.142 9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.707 -3.798 7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.880 -5.482 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.457 -5.056 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.134 -6.432 9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.798 -5.381 10.462 1.00 0.00 H new ATOM 700 N SER A 46 -1.222 -4.712 5.408 1.00 0.00 N ATOM 701 CA SER A 46 -0.516 -5.286 4.271 1.00 0.00 C ATOM 702 C SER A 46 0.997 -5.229 4.472 1.00 0.00 C ATOM 703 O SER A 46 1.732 -6.056 3.934 1.00 0.00 O ATOM 704 CB SER A 46 -0.889 -4.544 2.988 1.00 0.00 C ATOM 705 OG SER A 46 -0.292 -5.154 1.856 1.00 0.00 O ATOM 0 H SER A 46 -1.874 -3.966 5.165 1.00 0.00 H new ATOM 0 HA SER A 46 -0.814 -6.331 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.973 -4.535 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.567 -3.505 3.058 1.00 0.00 H new ATOM 0 HG SER A 46 -0.185 -6.114 2.020 1.00 0.00 H new ATOM 711 N GLU A 47 1.461 -4.247 5.249 1.00 0.00 N ATOM 712 CA GLU A 47 2.891 -4.088 5.511 1.00 0.00 C ATOM 713 C GLU A 47 3.334 -4.931 6.703 1.00 0.00 C ATOM 714 O GLU A 47 4.522 -5.216 6.866 1.00 0.00 O ATOM 715 CB GLU A 47 3.228 -2.615 5.756 1.00 0.00 C ATOM 716 CG GLU A 47 3.570 -1.850 4.487 1.00 0.00 C ATOM 717 CD GLU A 47 4.112 -0.462 4.768 1.00 0.00 C ATOM 718 OE1 GLU A 47 3.596 0.202 5.692 1.00 0.00 O ATOM 719 OE2 GLU A 47 5.054 -0.039 4.065 1.00 0.00 O ATOM 0 H GLU A 47 0.869 -3.553 5.705 1.00 0.00 H new ATOM 0 HA GLU A 47 3.431 -4.436 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.381 -2.133 6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.070 -2.553 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.307 -2.414 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.678 -1.768 3.865 1.00 0.00 H new ATOM 726 N LYS A 48 2.376 -5.339 7.526 1.00 0.00 N ATOM 727 CA LYS A 48 2.674 -6.160 8.691 1.00 0.00 C ATOM 728 C LYS A 48 2.467 -7.636 8.359 1.00 0.00 C ATOM 729 O LYS A 48 2.992 -8.518 9.037 1.00 0.00 O ATOM 730 CB LYS A 48 1.780 -5.753 9.866 1.00 0.00 C ATOM 731 CG LYS A 48 2.139 -6.440 11.173 1.00 0.00 C ATOM 732 CD LYS A 48 1.037 -6.280 12.210 1.00 0.00 C ATOM 733 CE LYS A 48 0.040 -7.427 12.149 1.00 0.00 C ATOM 734 NZ LYS A 48 0.052 -8.241 13.396 1.00 0.00 N ATOM 0 H LYS A 48 1.388 -5.115 7.408 1.00 0.00 H new ATOM 0 HA LYS A 48 3.715 -6.006 8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.845 -4.674 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.743 -5.981 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.317 -7.500 10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.068 -6.023 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.478 -6.233 13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.517 -5.336 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.961 -7.029 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.273 -8.065 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.699 -8.959 13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.975 -8.710 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.112 -7.622 14.216 1.00 0.00 H new ATOM 748 N TYR A 49 1.698 -7.888 7.303 1.00 0.00 N ATOM 749 CA TYR A 49 1.410 -9.248 6.863 1.00 0.00 C ATOM 750 C TYR A 49 2.291 -9.639 5.680 1.00 0.00 C ATOM 751 O TYR A 49 1.937 -9.395 4.526 1.00 0.00 O ATOM 752 CB TYR A 49 -0.060 -9.362 6.464 1.00 0.00 C ATOM 753 CG TYR A 49 -0.975 -9.684 7.621 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.382 -8.692 8.502 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.429 -10.980 7.836 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.215 -8.979 9.565 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.264 -11.274 8.897 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.655 -10.271 9.757 1.00 0.00 C ATOM 759 OH TYR A 49 -3.489 -10.560 10.812 1.00 0.00 O ATOM 0 H TYR A 49 1.261 -7.163 6.734 1.00 0.00 H new ATOM 0 HA TYR A 49 1.621 -9.926 7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.379 -8.424 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.163 -10.136 5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.041 -7.678 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.125 -11.769 7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.520 -8.195 10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.609 -12.286 9.052 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.707 -11.515 10.804 1.00 0.00 H new ATOM 769 N SER A 50 3.433 -10.255 5.969 1.00 0.00 N ATOM 770 CA SER A 50 4.352 -10.687 4.921 1.00 0.00 C ATOM 771 C SER A 50 4.018 -12.106 4.469 1.00 0.00 C ATOM 772 O SER A 50 4.898 -12.960 4.357 1.00 0.00 O ATOM 773 CB SER A 50 5.798 -10.623 5.415 1.00 0.00 C ATOM 774 OG SER A 50 6.281 -9.291 5.412 1.00 0.00 O ATOM 0 H SER A 50 3.744 -10.466 6.917 1.00 0.00 H new ATOM 0 HA SER A 50 4.242 -10.012 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.859 -11.033 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.430 -11.243 4.780 1.00 0.00 H new ATOM 0 HG SER A 50 7.207 -9.278 5.734 1.00 0.00 H new ATOM 780 N ASN A 51 2.738 -12.348 4.203 1.00 0.00 N ATOM 781 CA ASN A 51 2.280 -13.656 3.751 1.00 0.00 C ATOM 782 C ASN A 51 1.021 -13.519 2.899 1.00 0.00 C ATOM 783 O ASN A 51 0.863 -14.204 1.889 1.00 0.00 O ATOM 784 CB ASN A 51 2.006 -14.573 4.947 1.00 0.00 C ATOM 785 CG ASN A 51 2.347 -16.022 4.652 1.00 0.00 C ATOM 786 OD1 ASN A 51 3.249 -16.313 3.866 1.00 0.00 O ATOM 787 ND2 ASN A 51 1.623 -16.941 5.281 1.00 0.00 N ATOM 0 H ASN A 51 1.998 -11.652 4.293 1.00 0.00 H new ATOM 0 HA ASN A 51 3.068 -14.100 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.587 -14.232 5.804 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.955 -14.499 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.805 -17.932 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.885 -16.656 5.924 1.00 0.00 H new ATOM 794 N VAL A 52 0.125 -12.629 3.322 1.00 0.00 N ATOM 795 CA VAL A 52 -1.127 -12.398 2.613 1.00 0.00 C ATOM 796 C VAL A 52 -1.010 -11.233 1.646 1.00 0.00 C ATOM 797 O VAL A 52 -0.180 -10.342 1.827 1.00 0.00 O ATOM 798 CB VAL A 52 -2.277 -12.095 3.596 1.00 0.00 C ATOM 799 CG1 VAL A 52 -2.376 -13.173 4.658 1.00 0.00 C ATOM 800 CG2 VAL A 52 -2.092 -10.729 4.240 1.00 0.00 C ATOM 0 H VAL A 52 0.246 -12.055 4.156 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.344 -13.312 2.060 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.209 -12.084 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.194 -12.938 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.565 -14.136 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.441 -13.221 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.915 -10.537 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.149 -10.709 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.080 -9.961 3.467 1.00 0.00 H new ATOM 810 N ILE A 53 -1.850 -11.242 0.622 1.00 0.00 N ATOM 811 CA ILE A 53 -1.846 -10.181 -0.368 1.00 0.00 C ATOM 812 C ILE A 53 -3.042 -9.254 -0.174 1.00 0.00 C ATOM 813 O ILE A 53 -4.195 -9.664 -0.313 1.00 0.00 O ATOM 814 CB ILE A 53 -1.830 -10.755 -1.807 1.00 0.00 C ATOM 815 CG1 ILE A 53 -1.228 -9.740 -2.774 1.00 0.00 C ATOM 816 CG2 ILE A 53 -3.220 -11.171 -2.265 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.279 -9.649 -2.686 1.00 0.00 C ATOM 0 H ILE A 53 -2.542 -11.973 0.457 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.934 -9.601 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.208 -11.650 -1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.510 -10.008 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.657 -8.758 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.165 -11.568 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.609 -11.938 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.882 -10.305 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.641 -8.909 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.567 -9.352 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.716 -10.620 -2.917 1.00 0.00 H new ATOM 829 N PHE A 54 -2.753 -8.004 0.161 1.00 0.00 N ATOM 830 CA PHE A 54 -3.789 -7.007 0.387 1.00 0.00 C ATOM 831 C PHE A 54 -3.981 -6.164 -0.867 1.00 0.00 C ATOM 832 O PHE A 54 -3.072 -5.435 -1.258 1.00 0.00 O ATOM 833 CB PHE A 54 -3.366 -6.056 1.509 1.00 0.00 C ATOM 834 CG PHE A 54 -3.723 -6.468 2.912 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.169 -7.592 3.510 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.598 -5.687 3.648 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.491 -7.920 4.818 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.925 -6.016 4.947 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.369 -7.132 5.532 1.00 0.00 C ATOM 0 H PHE A 54 -1.802 -7.655 0.283 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.709 -7.530 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.285 -5.927 1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.813 -5.081 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.484 -8.214 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.031 -4.806 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.054 -8.794 5.278 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.615 -5.400 5.504 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.621 -7.390 6.550 1.00 0.00 H new ATOM 849 N LEU A 55 -5.156 -6.224 -1.485 1.00 0.00 N ATOM 850 CA LEU A 55 -5.398 -5.411 -2.668 1.00 0.00 C ATOM 851 C LEU A 55 -6.690 -4.629 -2.548 1.00 0.00 C ATOM 852 O LEU A 55 -7.486 -4.849 -1.635 1.00 0.00 O ATOM 853 CB LEU A 55 -5.352 -6.238 -3.958 1.00 0.00 C ATOM 854 CG LEU A 55 -6.687 -6.620 -4.606 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.963 -5.725 -5.803 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.657 -8.078 -5.040 1.00 0.00 C ATOM 0 H LEU A 55 -5.937 -6.812 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.584 -4.689 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.769 -5.682 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.806 -7.158 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.484 -6.485 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.914 -6.006 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.009 -4.686 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.164 -5.841 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.610 -8.341 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.853 -8.226 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.486 -8.713 -4.171 1.00 0.00 H new ATOM 868 N GLU A 56 -6.867 -3.681 -3.451 1.00 0.00 N ATOM 869 CA GLU A 56 -8.031 -2.820 -3.425 1.00 0.00 C ATOM 870 C GLU A 56 -8.863 -2.916 -4.693 1.00 0.00 C ATOM 871 O GLU A 56 -8.373 -2.657 -5.792 1.00 0.00 O ATOM 872 CB GLU A 56 -7.557 -1.389 -3.255 1.00 0.00 C ATOM 873 CG GLU A 56 -8.356 -0.586 -2.241 1.00 0.00 C ATOM 874 CD GLU A 56 -9.654 -0.046 -2.811 1.00 0.00 C ATOM 875 OE1 GLU A 56 -10.319 -0.780 -3.572 1.00 0.00 O ATOM 876 OE2 GLU A 56 -10.005 1.109 -2.495 1.00 0.00 O ATOM 0 H GLU A 56 -6.216 -3.489 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.666 -3.139 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.510 -1.398 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.605 -0.885 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.577 -1.215 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.749 0.245 -1.882 1.00 0.00 H new ATOM 883 N VAL A 57 -10.132 -3.267 -4.533 1.00 0.00 N ATOM 884 CA VAL A 57 -11.034 -3.366 -5.670 1.00 0.00 C ATOM 885 C VAL A 57 -12.152 -2.350 -5.558 1.00 0.00 C ATOM 886 O VAL A 57 -12.918 -2.346 -4.598 1.00 0.00 O ATOM 887 CB VAL A 57 -11.657 -4.765 -5.815 1.00 0.00 C ATOM 888 CG1 VAL A 57 -12.147 -4.959 -7.235 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.670 -5.858 -5.434 1.00 0.00 C ATOM 0 H VAL A 57 -10.557 -3.487 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.427 -3.168 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.501 -4.838 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.588 -5.951 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.897 -4.203 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.309 -4.863 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.144 -6.833 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.796 -5.801 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.361 -5.724 -4.397 1.00 0.00 H new ATOM 899 N ASP A 58 -12.226 -1.479 -6.546 1.00 0.00 N ATOM 900 CA ASP A 58 -13.238 -0.446 -6.576 1.00 0.00 C ATOM 901 C ASP A 58 -14.375 -0.862 -7.496 1.00 0.00 C ATOM 902 O ASP A 58 -14.166 -1.107 -8.684 1.00 0.00 O ATOM 903 CB ASP A 58 -12.614 0.862 -7.044 1.00 0.00 C ATOM 904 CG ASP A 58 -11.982 0.745 -8.416 1.00 0.00 C ATOM 905 OD1 ASP A 58 -11.722 -0.395 -8.856 1.00 0.00 O ATOM 906 OD2 ASP A 58 -11.746 1.794 -9.053 1.00 0.00 O ATOM 0 H ASP A 58 -11.591 -1.469 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.644 -0.301 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.379 1.639 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.858 1.178 -6.325 1.00 0.00 H new ATOM 911 N VAL A 59 -15.573 -0.974 -6.936 1.00 0.00 N ATOM 912 CA VAL A 59 -16.732 -1.395 -7.707 1.00 0.00 C ATOM 913 C VAL A 59 -17.034 -0.438 -8.855 1.00 0.00 C ATOM 914 O VAL A 59 -17.737 -0.797 -9.799 1.00 0.00 O ATOM 915 CB VAL A 59 -17.982 -1.544 -6.816 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.411 -0.197 -6.251 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.115 -2.189 -7.597 1.00 0.00 C ATOM 0 H VAL A 59 -15.765 -0.779 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.481 -2.368 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.730 -2.193 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.294 -0.329 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.602 0.221 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.644 0.483 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.990 -2.287 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.364 -1.567 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.804 -3.176 -7.941 1.00 0.00 H new ATOM 927 N ASP A 60 -16.497 0.776 -8.785 1.00 0.00 N ATOM 928 CA ASP A 60 -16.714 1.751 -9.844 1.00 0.00 C ATOM 929 C ASP A 60 -16.079 1.254 -11.136 1.00 0.00 C ATOM 930 O ASP A 60 -16.646 1.400 -12.220 1.00 0.00 O ATOM 931 CB ASP A 60 -16.127 3.110 -9.452 1.00 0.00 C ATOM 932 CG ASP A 60 -17.185 4.191 -9.349 1.00 0.00 C ATOM 933 OD1 ASP A 60 -17.904 4.224 -8.327 1.00 0.00 O ATOM 934 OD2 ASP A 60 -17.295 5.006 -10.289 1.00 0.00 O ATOM 0 H ASP A 60 -15.915 1.104 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.786 1.874 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.612 3.018 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.380 3.406 -10.189 1.00 0.00 H new ATOM 939 N ASP A 61 -14.901 0.654 -11.004 1.00 0.00 N ATOM 940 CA ASP A 61 -14.180 0.113 -12.150 1.00 0.00 C ATOM 941 C ASP A 61 -14.383 -1.394 -12.245 1.00 0.00 C ATOM 942 O ASP A 61 -14.430 -1.962 -13.336 1.00 0.00 O ATOM 943 CB ASP A 61 -12.690 0.436 -12.046 1.00 0.00 C ATOM 944 CG ASP A 61 -12.374 1.851 -12.489 1.00 0.00 C ATOM 945 OD1 ASP A 61 -12.311 2.091 -13.713 1.00 0.00 O ATOM 946 OD2 ASP A 61 -12.189 2.720 -11.611 1.00 0.00 O ATOM 0 H ASP A 61 -14.424 0.530 -10.111 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.576 0.577 -13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.362 0.299 -11.016 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.125 -0.268 -12.657 1.00 0.00 H new ATOM 951 N ALA A 62 -14.502 -2.035 -11.086 1.00 0.00 N ATOM 952 CA ALA A 62 -14.705 -3.473 -11.021 1.00 0.00 C ATOM 953 C ALA A 62 -16.184 -3.795 -10.853 1.00 0.00 C ATOM 954 O ALA A 62 -16.563 -4.645 -10.046 1.00 0.00 O ATOM 955 CB ALA A 62 -13.890 -4.069 -9.882 1.00 0.00 C ATOM 0 H ALA A 62 -14.461 -1.576 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.365 -3.917 -11.957 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.051 -5.146 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.832 -3.866 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.203 -3.622 -8.938 1.00 0.00 H new ATOM 961 N GLN A 63 -17.014 -3.096 -11.617 1.00 0.00 N ATOM 962 CA GLN A 63 -18.457 -3.286 -11.557 1.00 0.00 C ATOM 963 C GLN A 63 -18.875 -4.625 -12.161 1.00 0.00 C ATOM 964 O GLN A 63 -20.034 -5.021 -12.053 1.00 0.00 O ATOM 965 CB GLN A 63 -19.169 -2.145 -12.286 1.00 0.00 C ATOM 966 CG GLN A 63 -20.557 -1.850 -11.742 1.00 0.00 C ATOM 967 CD GLN A 63 -21.623 -2.734 -12.361 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.197 -3.594 -11.694 1.00 0.00 O ATOM 969 NE2 GLN A 63 -21.892 -2.524 -13.644 1.00 0.00 N ATOM 0 H GLN A 63 -16.711 -2.390 -12.288 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.746 -3.285 -10.506 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.560 -1.243 -12.215 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -19.248 -2.394 -13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -20.557 -1.989 -10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -20.803 -0.805 -11.929 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -21.391 -1.799 -14.158 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.600 -3.087 -14.116 1.00 0.00 H new ATOM 978 N ASP A 64 -17.936 -5.318 -12.801 1.00 0.00 N ATOM 979 CA ASP A 64 -18.236 -6.606 -13.415 1.00 0.00 C ATOM 980 C ASP A 64 -17.870 -7.761 -12.487 1.00 0.00 C ATOM 981 O ASP A 64 -18.437 -8.849 -12.591 1.00 0.00 O ATOM 982 CB ASP A 64 -17.496 -6.752 -14.745 1.00 0.00 C ATOM 983 CG ASP A 64 -18.385 -7.316 -15.835 1.00 0.00 C ATOM 984 OD1 ASP A 64 -18.883 -8.449 -15.665 1.00 0.00 O ATOM 985 OD2 ASP A 64 -18.586 -6.625 -16.856 1.00 0.00 O ATOM 0 H ASP A 64 -16.969 -5.011 -12.907 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.310 -6.642 -13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -17.115 -5.779 -15.056 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -16.633 -7.403 -14.609 1.00 0.00 H new ATOM 990 N VAL A 65 -16.931 -7.522 -11.572 1.00 0.00 N ATOM 991 CA VAL A 65 -16.517 -8.561 -10.633 1.00 0.00 C ATOM 992 C VAL A 65 -17.561 -8.734 -9.533 1.00 0.00 C ATOM 993 O VAL A 65 -17.947 -9.857 -9.210 1.00 0.00 O ATOM 994 CB VAL A 65 -15.129 -8.282 -10.002 1.00 0.00 C ATOM 995 CG1 VAL A 65 -14.017 -8.716 -10.943 1.00 0.00 C ATOM 996 CG2 VAL A 65 -14.967 -6.818 -9.638 1.00 0.00 C ATOM 0 H VAL A 65 -16.449 -6.630 -11.462 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.432 -9.483 -11.208 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.062 -8.865 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.050 -8.512 -10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.106 -9.784 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.096 -8.164 -11.879 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.982 -6.659 -9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -15.067 -6.207 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.735 -6.535 -8.919 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.012 -7.622 -8.948 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.004 -7.664 -7.876 1.00 0.00 C ATOM 1008 C ALA A 66 -20.205 -8.527 -8.253 1.00 0.00 C ATOM 1009 O ALA A 66 -20.524 -9.493 -7.560 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.463 -6.249 -7.553 1.00 0.00 C ATOM 0 H ALA A 66 -17.705 -6.683 -9.200 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.537 -8.112 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.203 -6.280 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.608 -5.653 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.907 -5.799 -8.441 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.886 -8.196 -9.360 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.048 -8.959 -9.826 1.00 0.00 C ATOM 1018 C PRO A 67 -21.748 -10.453 -9.892 1.00 0.00 C ATOM 1019 O PRO A 67 -22.637 -11.288 -9.723 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.303 -8.389 -11.222 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.769 -7.001 -11.156 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.576 -7.062 -10.251 1.00 0.00 C ATOM 0 HA PRO A 67 -22.906 -8.869 -9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.796 -8.974 -11.989 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.365 -8.395 -11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.490 -6.643 -12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -22.519 -6.312 -10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.655 -7.229 -10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -20.446 -6.135 -9.693 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.479 -10.776 -10.115 1.00 0.00 N ATOM 1031 CA LYS A 68 -20.037 -12.161 -10.182 1.00 0.00 C ATOM 1032 C LYS A 68 -19.969 -12.782 -8.785 1.00 0.00 C ATOM 1033 O LYS A 68 -20.058 -13.999 -8.636 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.670 -12.247 -10.863 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.581 -13.346 -11.907 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.402 -13.130 -12.840 1.00 0.00 C ATOM 1037 CE LYS A 68 -17.434 -14.096 -14.014 1.00 0.00 C ATOM 1038 NZ LYS A 68 -18.289 -13.594 -15.125 1.00 0.00 N ATOM 0 H LYS A 68 -19.735 -10.092 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.763 -12.722 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.447 -11.290 -11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.905 -12.414 -10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.483 -14.313 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.504 -13.376 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.414 -12.105 -13.211 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.471 -13.259 -12.287 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.420 -14.255 -14.380 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.807 -15.063 -13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.284 -14.282 -15.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.263 -13.466 -14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.919 -12.683 -15.464 1.00 0.00 H new ATOM 1052 N TYR A 69 -19.810 -11.935 -7.766 1.00 0.00 N ATOM 1053 CA TYR A 69 -19.724 -12.393 -6.375 1.00 0.00 C ATOM 1054 C TYR A 69 -20.999 -12.066 -5.594 1.00 0.00 C ATOM 1055 O TYR A 69 -21.154 -12.467 -4.440 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.538 -11.722 -5.691 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.198 -12.224 -6.175 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -16.740 -13.489 -5.829 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.398 -11.435 -6.990 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -15.519 -13.953 -6.283 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -15.177 -11.890 -7.447 1.00 0.00 C ATOM 1062 CZ TYR A 69 -14.742 -13.150 -7.092 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.526 -13.607 -7.546 1.00 0.00 O ATOM 0 H TYR A 69 -19.738 -10.924 -7.877 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.596 -13.475 -6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.595 -10.646 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.610 -11.884 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.347 -14.120 -5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.736 -10.449 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.176 -14.939 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.566 -11.263 -8.079 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.948 -13.812 -6.782 1.00 0.00 H new ATOM 1073 N GLY A 70 -21.910 -11.355 -6.241 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.171 -10.995 -5.615 1.00 0.00 C ATOM 1075 C GLY A 70 -23.022 -10.043 -4.440 1.00 0.00 C ATOM 1076 O GLY A 70 -23.787 -10.121 -3.478 1.00 0.00 O ATOM 0 H GLY A 70 -21.799 -11.017 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.819 -10.537 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.669 -11.903 -5.274 1.00 0.00 H new ATOM 1080 N ILE A 71 -22.054 -9.131 -4.513 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.844 -8.161 -3.440 1.00 0.00 C ATOM 1082 C ILE A 71 -22.911 -7.068 -3.492 1.00 0.00 C ATOM 1083 O ILE A 71 -23.235 -6.555 -4.563 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.444 -7.509 -3.516 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.348 -8.572 -3.423 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -20.274 -6.485 -2.403 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.982 -8.068 -3.836 1.00 0.00 C ATOM 0 H ILE A 71 -21.408 -9.043 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.917 -8.706 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.356 -7.002 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.296 -8.940 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.620 -9.419 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -19.283 -6.035 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -21.033 -5.709 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -20.384 -6.977 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.254 -8.874 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -18.018 -7.726 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.689 -7.240 -3.190 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.461 -6.724 -2.332 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.501 -5.702 -2.254 1.00 0.00 C ATOM 1101 C ARG A 72 -24.376 -4.885 -0.970 1.00 0.00 C ATOM 1102 O ARG A 72 -25.254 -4.920 -0.108 1.00 0.00 O ATOM 1103 CB ARG A 72 -25.884 -6.355 -2.329 1.00 0.00 C ATOM 1104 CG ARG A 72 -27.022 -5.365 -2.521 1.00 0.00 C ATOM 1105 CD ARG A 72 -26.870 -4.580 -3.814 1.00 0.00 C ATOM 1106 NE ARG A 72 -28.132 -3.977 -4.241 1.00 0.00 N ATOM 1107 CZ ARG A 72 -28.244 -3.136 -5.267 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -27.175 -2.796 -5.977 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -29.429 -2.632 -5.585 1.00 0.00 N ATOM 0 H ARG A 72 -23.205 -7.136 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.376 -5.025 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.894 -7.069 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.058 -6.921 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.972 -5.899 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.051 -4.675 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -26.123 -3.798 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.501 -5.241 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.977 -4.215 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.261 -3.180 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.268 -2.151 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.254 -2.889 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.515 -1.988 -6.371 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.275 -4.150 -0.853 1.00 0.00 N ATOM 1124 CA GLY A 73 -23.048 -3.330 0.324 1.00 0.00 C ATOM 1125 C GLY A 73 -21.638 -2.780 0.384 1.00 0.00 C ATOM 1126 O GLY A 73 -20.746 -3.270 -0.305 1.00 0.00 O ATOM 0 H GLY A 73 -22.534 -4.107 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.758 -2.503 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.242 -3.922 1.218 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.435 -1.755 1.206 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.122 -1.138 1.350 1.00 0.00 C ATOM 1132 C ILE A 74 -19.915 -0.618 2.773 1.00 0.00 C ATOM 1133 O ILE A 74 -20.848 -0.096 3.384 1.00 0.00 O ATOM 1134 CB ILE A 74 -19.941 0.025 0.356 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -21.149 0.961 0.412 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -19.743 -0.510 -1.056 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -21.031 2.159 -0.505 1.00 0.00 C ATOM 0 H ILE A 74 -22.164 -1.334 1.783 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.380 -1.907 1.136 1.00 0.00 H new ATOM 0 HB ILE A 74 -19.052 0.590 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -22.045 0.400 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -21.281 1.310 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.617 0.324 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.856 -1.142 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.615 -1.095 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -21.924 2.778 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -20.154 2.744 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -20.931 1.820 -1.536 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.694 -0.748 3.331 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.543 -1.359 2.660 1.00 0.00 C ATOM 1151 C PRO A 75 -17.471 -2.866 2.886 1.00 0.00 C ATOM 1152 O PRO A 75 -17.409 -3.324 4.028 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.369 -0.672 3.351 1.00 0.00 C ATOM 1154 CG PRO A 75 -16.838 -0.458 4.752 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.339 -0.291 4.688 1.00 0.00 C ATOM 0 HA PRO A 75 -17.575 -1.236 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.473 -1.292 3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.120 0.272 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.570 -1.305 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.369 0.425 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.839 -0.885 5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -18.632 0.747 4.849 1.00 0.00 H new ATOM 1163 N THR A 76 -17.478 -3.640 1.804 1.00 0.00 N ATOM 1164 CA THR A 76 -17.403 -5.093 1.912 1.00 0.00 C ATOM 1165 C THR A 76 -15.956 -5.583 1.938 1.00 0.00 C ATOM 1166 O THR A 76 -15.118 -5.122 1.162 1.00 0.00 O ATOM 1167 CB THR A 76 -18.151 -5.764 0.755 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.005 -4.843 0.106 1.00 0.00 O ATOM 1169 CG2 THR A 76 -18.995 -6.944 1.191 1.00 0.00 C ATOM 0 H THR A 76 -17.534 -3.288 0.848 1.00 0.00 H new ATOM 0 HA THR A 76 -17.876 -5.369 2.855 1.00 0.00 H new ATOM 0 HB THR A 76 -17.373 -6.123 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.670 -4.509 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.497 -7.372 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.356 -7.699 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.740 -6.611 1.914 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.682 -6.541 2.811 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.355 -7.125 2.912 1.00 0.00 C ATOM 1179 C LEU A 77 -14.402 -8.540 2.361 1.00 0.00 C ATOM 1180 O LEU A 77 -15.213 -9.360 2.793 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.858 -7.120 4.364 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.569 -6.333 4.604 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.765 -4.861 4.266 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -12.109 -6.499 6.044 1.00 0.00 C ATOM 0 H LEU A 77 -16.364 -6.931 3.461 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.652 -6.529 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.642 -6.707 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.701 -8.151 4.682 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.795 -6.729 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.836 -4.320 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.047 -4.763 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.553 -4.445 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.190 -5.933 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.882 -6.129 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.924 -7.554 6.248 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.550 -8.817 1.383 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.528 -10.128 0.752 1.00 0.00 C ATOM 1198 C LEU A 78 -12.200 -10.841 0.984 1.00 0.00 C ATOM 1199 O LEU A 78 -11.126 -10.260 0.825 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.782 -9.986 -0.759 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.253 -9.879 -1.199 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.385 -10.201 -2.680 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.145 -10.803 -0.384 1.00 0.00 C ATOM 0 H LEU A 78 -12.869 -8.155 1.012 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.317 -10.729 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.255 -9.100 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.336 -10.844 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.579 -8.854 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.431 -10.122 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.788 -9.497 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.031 -11.215 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.177 -10.703 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.819 -11.834 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.079 -10.535 0.671 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.293 -12.113 1.355 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.118 -12.934 1.605 1.00 0.00 C ATOM 1217 C LEU A 79 -11.054 -14.061 0.586 1.00 0.00 C ATOM 1218 O LEU A 79 -11.989 -14.854 0.472 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.174 -13.521 3.019 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.415 -12.745 4.096 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.915 -12.935 3.940 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.779 -11.268 4.053 1.00 0.00 C ATOM 0 H LEU A 79 -13.179 -12.600 1.490 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.227 -12.312 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.219 -13.594 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.780 -14.537 2.985 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.708 -13.139 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.395 -12.374 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.671 -13.993 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.602 -12.574 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.228 -10.735 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.521 -10.858 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.849 -11.152 4.224 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.958 -14.126 -0.158 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.799 -15.152 -1.177 1.00 0.00 C ATOM 1236 C PHE A 80 -8.677 -16.121 -0.825 1.00 0.00 C ATOM 1237 O PHE A 80 -7.693 -15.753 -0.185 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.534 -14.492 -2.531 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.779 -13.961 -3.174 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.237 -12.688 -2.871 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.498 -14.732 -4.076 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.387 -12.191 -3.452 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.650 -14.240 -4.662 1.00 0.00 C ATOM 1244 CZ PHE A 80 -13.096 -12.968 -4.349 1.00 0.00 C ATOM 0 H PHE A 80 -9.170 -13.484 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.722 -15.730 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.823 -13.676 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.067 -15.217 -3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.687 -12.077 -2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.155 -15.726 -4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.732 -11.197 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.201 -14.848 -5.364 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.996 -12.583 -4.805 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.850 -17.370 -1.245 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.877 -18.421 -0.985 1.00 0.00 C ATOM 1256 C LYS A 81 -7.853 -19.413 -2.140 1.00 0.00 C ATOM 1257 O LYS A 81 -8.814 -20.152 -2.351 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.229 -19.147 0.314 1.00 0.00 C ATOM 1259 CG LYS A 81 -7.019 -19.541 1.144 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.252 -19.276 2.623 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.945 -19.264 3.402 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.402 -20.636 3.602 1.00 0.00 N ATOM 0 H LYS A 81 -9.666 -17.680 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.890 -17.969 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.876 -18.506 0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.801 -20.043 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.800 -20.598 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.146 -18.983 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.759 -18.319 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.912 -20.041 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.212 -18.658 2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.105 -18.793 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.512 -20.582 4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.090 -21.208 4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.224 -21.077 2.677 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.759 -19.424 -2.892 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.632 -20.328 -4.028 1.00 0.00 C ATOM 1278 C ASN A 82 -7.711 -20.031 -5.067 1.00 0.00 C ATOM 1279 O ASN A 82 -8.347 -20.943 -5.597 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.734 -21.784 -3.567 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.936 -22.057 -2.305 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -6.480 -22.517 -1.301 1.00 0.00 O ATOM 1283 ND2 ASN A 82 -4.638 -21.777 -2.350 1.00 0.00 N ATOM 0 H ASN A 82 -5.951 -18.821 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.654 -20.173 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.781 -22.032 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.381 -22.439 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.052 -21.942 -1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.228 -21.397 -3.203 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.884 -18.749 -5.376 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.861 -18.349 -6.370 1.00 0.00 C ATOM 1292 C GLY A 83 -10.301 -18.459 -5.893 1.00 0.00 C ATOM 1293 O GLY A 83 -11.227 -18.204 -6.662 1.00 0.00 O ATOM 0 H GLY A 83 -7.363 -17.980 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.664 -17.319 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.734 -18.966 -7.260 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.503 -18.853 -4.636 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.855 -19.002 -4.103 1.00 0.00 C ATOM 1299 C GLU A 84 -12.062 -18.197 -2.823 1.00 0.00 C ATOM 1300 O GLU A 84 -11.199 -18.162 -1.947 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.159 -20.478 -3.834 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.623 -20.840 -4.031 1.00 0.00 C ATOM 1303 CD GLU A 84 -14.350 -21.078 -2.722 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -13.828 -20.661 -1.667 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -15.444 -21.679 -2.752 1.00 0.00 O ATOM 0 H GLU A 84 -9.757 -19.072 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.541 -18.614 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.548 -21.093 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.867 -20.721 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.120 -20.039 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.691 -21.736 -4.648 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.235 -17.579 -2.718 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.591 -16.790 -1.543 1.00 0.00 C ATOM 1314 C VAL A 85 -13.758 -17.696 -0.321 1.00 0.00 C ATOM 1315 O VAL A 85 -14.633 -18.563 -0.305 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.898 -16.003 -1.770 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -16.059 -16.953 -2.028 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -15.191 -15.094 -0.584 1.00 0.00 C ATOM 0 H VAL A 85 -13.958 -17.610 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.781 -16.082 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.772 -15.376 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.971 -16.378 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.849 -17.551 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.189 -17.611 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.117 -14.548 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.294 -15.696 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.372 -14.387 -0.457 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.920 -17.508 0.696 1.00 0.00 N ATOM 1329 CA ALA A 86 -12.999 -18.334 1.900 1.00 0.00 C ATOM 1330 C ALA A 86 -13.471 -17.541 3.114 1.00 0.00 C ATOM 1331 O ALA A 86 -13.438 -18.035 4.241 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.659 -18.994 2.181 1.00 0.00 C ATOM 0 H ALA A 86 -12.186 -16.800 0.712 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.744 -19.108 1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.736 -19.605 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.380 -19.625 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.899 -18.227 2.328 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.917 -16.321 2.875 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.408 -15.459 3.945 1.00 0.00 C ATOM 1340 C ALA A 87 -15.065 -14.206 3.377 1.00 0.00 C ATOM 1341 O ALA A 87 -14.566 -13.616 2.418 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.274 -15.094 4.895 1.00 0.00 C ATOM 0 H ALA A 87 -13.951 -15.900 1.947 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.165 -16.007 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.656 -14.451 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.860 -16.002 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.494 -14.568 4.345 1.00 0.00 H new ATOM 1348 N THR A 88 -16.181 -13.795 3.972 1.00 0.00 N ATOM 1349 CA THR A 88 -16.890 -12.606 3.514 1.00 0.00 C ATOM 1350 C THR A 88 -17.340 -11.746 4.690 1.00 0.00 C ATOM 1351 O THR A 88 -18.074 -12.210 5.564 1.00 0.00 O ATOM 1352 CB THR A 88 -18.102 -13.003 2.666 1.00 0.00 C ATOM 1353 OG1 THR A 88 -18.988 -11.908 2.514 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.893 -14.155 3.249 1.00 0.00 C ATOM 0 H THR A 88 -16.612 -14.265 4.768 1.00 0.00 H new ATOM 0 HA THR A 88 -16.202 -12.020 2.904 1.00 0.00 H new ATOM 0 HB THR A 88 -17.691 -13.316 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.755 -12.181 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.737 -14.383 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.251 -15.032 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 88 -19.262 -13.880 4.237 1.00 0.00 H new ATOM 1362 N LYS A 89 -16.910 -10.487 4.702 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.280 -9.557 5.763 1.00 0.00 C ATOM 1364 C LYS A 89 -17.935 -8.314 5.165 1.00 0.00 C ATOM 1365 O LYS A 89 -17.489 -7.800 4.141 1.00 0.00 O ATOM 1366 CB LYS A 89 -16.046 -9.164 6.580 1.00 0.00 C ATOM 1367 CG LYS A 89 -15.972 -9.843 7.939 1.00 0.00 C ATOM 1368 CD LYS A 89 -16.920 -9.200 8.938 1.00 0.00 C ATOM 1369 CE LYS A 89 -16.365 -9.258 10.353 1.00 0.00 C ATOM 1370 NZ LYS A 89 -17.102 -8.350 11.276 1.00 0.00 N ATOM 0 H LYS A 89 -16.303 -10.087 3.986 1.00 0.00 H new ATOM 0 HA LYS A 89 -17.994 -10.047 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.150 -9.411 6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.045 -8.083 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.217 -10.900 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.952 -9.789 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.095 -8.161 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.884 -9.707 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.425 -10.281 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.310 -8.985 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.694 -8.419 12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.024 -7.370 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.104 -8.626 11.308 1.00 0.00 H new ATOM 1384 N VAL A 90 -18.998 -7.844 5.802 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.717 -6.669 5.324 1.00 0.00 C ATOM 1386 C VAL A 90 -19.704 -5.553 6.359 1.00 0.00 C ATOM 1387 O VAL A 90 -19.741 -5.813 7.562 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.176 -7.011 4.968 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.853 -5.832 4.287 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.232 -8.248 4.085 1.00 0.00 C ATOM 0 H VAL A 90 -19.383 -8.258 6.651 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.202 -6.328 4.426 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.715 -7.224 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.883 -6.094 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.846 -4.972 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.316 -5.583 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.270 -8.476 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.677 -8.064 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.789 -9.092 4.613 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.665 -4.307 5.891 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.655 -3.178 6.798 1.00 0.00 C ATOM 1402 C GLY A 91 -18.287 -2.890 7.380 1.00 0.00 C ATOM 1403 O GLY A 91 -17.377 -3.715 7.298 1.00 0.00 O ATOM 0 H GLY A 91 -19.640 -4.063 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.011 -2.293 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.356 -3.368 7.611 1.00 0.00 H new ATOM 1407 N ALA A 92 -18.145 -1.699 7.955 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.882 -1.270 8.542 1.00 0.00 C ATOM 1409 C ALA A 92 -16.528 -2.094 9.773 1.00 0.00 C ATOM 1410 O ALA A 92 -17.346 -2.862 10.282 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.943 0.208 8.901 1.00 0.00 C ATOM 0 H ALA A 92 -18.895 -1.011 8.026 1.00 0.00 H new ATOM 0 HA ALA A 92 -16.100 -1.427 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.993 0.516 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.135 0.793 8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.745 0.375 9.620 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.299 -1.925 10.242 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.812 -2.649 11.407 1.00 0.00 C ATOM 1419 C LEU A 93 -13.621 -1.919 12.023 1.00 0.00 C ATOM 1420 O LEU A 93 -13.312 -0.791 11.640 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.416 -4.071 11.003 1.00 0.00 C ATOM 1422 CG LEU A 93 -13.627 -4.172 9.696 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -12.829 -5.464 9.650 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -14.565 -4.083 8.504 1.00 0.00 C ATOM 0 H LEU A 93 -14.617 -1.288 9.830 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.606 -2.701 12.152 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.821 -4.509 11.805 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.320 -4.673 10.912 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.928 -3.337 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.275 -5.516 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.130 -5.490 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.508 -6.314 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -13.989 -4.156 7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.287 -4.899 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.093 -3.130 8.527 1.00 0.00 H new ATOM 1436 N SER A 94 -12.952 -2.566 12.971 1.00 0.00 N ATOM 1437 CA SER A 94 -11.794 -1.970 13.624 1.00 0.00 C ATOM 1438 C SER A 94 -10.517 -2.707 13.240 1.00 0.00 C ATOM 1439 O SER A 94 -10.565 -3.810 12.694 1.00 0.00 O ATOM 1440 CB SER A 94 -11.971 -1.991 15.143 1.00 0.00 C ATOM 1441 OG SER A 94 -11.268 -0.922 15.754 1.00 0.00 O ATOM 0 H SER A 94 -13.191 -3.500 13.303 1.00 0.00 H new ATOM 0 HA SER A 94 -11.711 -0.936 13.290 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.030 -1.922 15.390 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.613 -2.940 15.541 1.00 0.00 H new ATOM 0 HG SER A 94 -11.399 -0.957 16.725 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.374 -2.092 13.528 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.082 -2.691 13.212 1.00 0.00 C ATOM 1449 C LYS A 95 -7.954 -4.076 13.838 1.00 0.00 C ATOM 1450 O LYS A 95 -7.315 -4.966 13.273 1.00 0.00 O ATOM 1451 CB LYS A 95 -6.948 -1.787 13.703 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.560 -2.324 13.387 1.00 0.00 C ATOM 1453 CD LYS A 95 -4.652 -1.233 12.838 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.315 -1.796 12.385 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.477 -2.229 13.538 1.00 0.00 N ATOM 0 H LYS A 95 -9.316 -1.179 13.980 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.012 -2.797 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.059 -0.801 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.041 -1.655 14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.118 -2.747 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.638 -3.133 12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.142 -0.738 12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.488 -0.475 13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.484 -2.643 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.779 -1.041 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.574 -2.607 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.294 -1.415 14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.977 -2.967 14.073 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.549 -4.248 15.014 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.481 -5.524 15.693 1.00 0.00 C ATOM 1471 C GLY A 96 -9.426 -6.555 15.108 1.00 0.00 C ATOM 1472 O GLY A 96 -9.131 -7.749 15.124 1.00 0.00 O ATOM 0 H GLY A 96 -9.076 -3.526 15.506 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.460 -5.903 15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.715 -5.381 16.748 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.560 -6.101 14.581 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.533 -7.012 13.988 1.00 0.00 C ATOM 1478 C GLN A 97 -11.063 -7.477 12.615 1.00 0.00 C ATOM 1479 O GLN A 97 -11.310 -8.614 12.214 1.00 0.00 O ATOM 1480 CB GLN A 97 -12.902 -6.343 13.885 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.376 -5.738 15.197 1.00 0.00 C ATOM 1482 CD GLN A 97 -14.786 -5.189 15.115 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -14.988 -3.994 14.900 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -15.773 -6.063 15.280 1.00 0.00 N ATOM 0 H GLN A 97 -10.826 -5.117 14.553 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.624 -7.884 14.635 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.861 -5.561 13.126 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.633 -7.077 13.546 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.331 -6.496 15.979 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.696 -4.938 15.490 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.561 -7.045 15.456 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.743 -5.752 15.230 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.368 -6.598 11.904 1.00 0.00 N ATOM 1494 CA LEU A 98 -9.844 -6.942 10.588 1.00 0.00 C ATOM 1495 C LEU A 98 -8.707 -7.943 10.750 1.00 0.00 C ATOM 1496 O LEU A 98 -8.676 -8.984 10.095 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.359 -5.694 9.844 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.780 -5.618 8.373 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -9.684 -4.191 7.856 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -8.930 -6.550 7.524 1.00 0.00 C ATOM 0 H LEU A 98 -10.155 -5.649 12.213 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.642 -7.388 9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.735 -4.811 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.271 -5.656 9.898 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.820 -5.938 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.988 -4.162 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.339 -3.547 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.656 -3.840 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.244 -6.482 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.882 -6.263 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.054 -7.575 7.874 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.776 -7.609 11.639 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.628 -8.464 11.911 1.00 0.00 C ATOM 1514 C LYS A 99 -7.069 -9.816 12.465 1.00 0.00 C ATOM 1515 O LYS A 99 -6.568 -10.861 12.047 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.681 -7.782 12.900 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.218 -8.120 12.671 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.320 -7.442 13.694 1.00 0.00 C ATOM 1519 CE LYS A 99 -3.535 -8.012 15.087 1.00 0.00 C ATOM 1520 NZ LYS A 99 -2.457 -7.600 16.030 1.00 0.00 N ATOM 0 H LYS A 99 -7.796 -6.748 12.185 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.104 -8.632 10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.811 -6.702 12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.958 -8.071 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.081 -9.200 12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.925 -7.811 11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.277 -7.569 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.521 -6.371 13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.499 -7.679 15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.573 -9.100 15.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.641 -8.010 16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.539 -7.940 15.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.437 -6.563 16.103 1.00 0.00 H new ATOM 1534 N GLU A 100 -8.019 -9.797 13.398 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.523 -11.033 13.986 1.00 0.00 C ATOM 1536 C GLU A 100 -9.155 -11.909 12.908 1.00 0.00 C ATOM 1537 O GLU A 100 -8.977 -13.127 12.899 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.519 -10.741 15.122 1.00 0.00 C ATOM 1539 CG GLU A 100 -10.950 -10.488 14.669 1.00 0.00 C ATOM 1540 CD GLU A 100 -11.820 -11.724 14.774 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -11.740 -12.419 15.809 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -12.584 -11.995 13.824 1.00 0.00 O ATOM 0 H GLU A 100 -8.451 -8.947 13.759 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.684 -11.576 14.421 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.516 -11.583 15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.170 -9.871 15.677 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.383 -9.691 15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.944 -10.139 13.637 1.00 0.00 H new ATOM 1549 N PHE A 101 -9.863 -11.272 11.979 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.499 -11.976 10.873 1.00 0.00 C ATOM 1551 C PHE A 101 -9.449 -12.682 10.020 1.00 0.00 C ATOM 1552 O PHE A 101 -9.626 -13.829 9.604 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.298 -10.986 10.018 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.173 -11.634 8.982 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -12.890 -12.784 9.276 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.275 -11.094 7.710 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -13.689 -13.381 8.321 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -13.073 -11.686 6.751 1.00 0.00 C ATOM 1559 CZ PHE A 101 -13.780 -12.832 7.056 1.00 0.00 C ATOM 0 H PHE A 101 -10.010 -10.263 11.972 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.179 -12.727 11.276 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.920 -10.377 10.673 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.603 -10.310 9.519 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -12.823 -13.218 10.263 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.723 -10.198 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.242 -14.276 8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.144 -11.253 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.403 -13.299 6.307 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.338 -11.990 9.790 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.245 -12.546 9.008 1.00 0.00 C ATOM 1571 C LEU A 102 -6.575 -13.669 9.786 1.00 0.00 C ATOM 1572 O LEU A 102 -6.408 -14.772 9.278 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.230 -11.459 8.655 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.486 -10.753 7.324 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.600 -9.525 7.193 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -6.258 -11.709 6.163 1.00 0.00 C ATOM 0 H LEU A 102 -8.173 -11.044 10.135 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.646 -12.950 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.225 -10.714 9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.236 -11.904 8.629 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.526 -10.427 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.796 -9.035 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.815 -8.833 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.553 -9.825 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.445 -11.190 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.228 -12.066 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.938 -12.557 6.251 1.00 0.00 H new ATOM 1588 N ASP A 103 -6.218 -13.387 11.036 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.590 -14.388 11.893 1.00 0.00 C ATOM 1590 C ASP A 103 -6.431 -15.660 11.920 1.00 0.00 C ATOM 1591 O ASP A 103 -5.901 -16.772 11.932 1.00 0.00 O ATOM 1592 CB ASP A 103 -5.420 -13.842 13.313 1.00 0.00 C ATOM 1593 CG ASP A 103 -4.193 -14.401 14.005 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -3.918 -15.608 13.842 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -3.506 -13.632 14.710 1.00 0.00 O ATOM 0 H ASP A 103 -6.352 -12.477 11.477 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.606 -14.624 11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.349 -12.755 13.275 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.306 -14.083 13.900 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.749 -15.481 11.928 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.680 -16.601 11.951 1.00 0.00 C ATOM 1602 C ALA A 104 -8.682 -17.364 10.628 1.00 0.00 C ATOM 1603 O ALA A 104 -9.068 -18.532 10.585 1.00 0.00 O ATOM 1604 CB ALA A 104 -10.081 -16.110 12.278 1.00 0.00 C ATOM 0 H ALA A 104 -8.197 -14.565 11.919 1.00 0.00 H new ATOM 0 HA ALA A 104 -8.350 -17.291 12.728 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.769 -16.956 12.293 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.079 -15.627 13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.402 -15.394 11.521 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.259 -16.709 9.547 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.230 -17.356 8.236 1.00 0.00 C ATOM 1612 C ASN A 105 -6.802 -17.735 7.846 1.00 0.00 C ATOM 1613 O ASN A 105 -6.512 -18.899 7.571 1.00 0.00 O ATOM 1614 CB ASN A 105 -8.834 -16.430 7.178 1.00 0.00 C ATOM 1615 CG ASN A 105 -9.762 -17.163 6.231 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.242 -18.256 6.537 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.022 -16.566 5.074 1.00 0.00 N ATOM 0 H ASN A 105 -7.935 -15.742 9.552 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.823 -18.269 8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.383 -15.628 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.032 -15.963 6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -10.641 -17.013 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.603 -15.661 4.862 1.00 0.00 H new ATOM 1624 N LEU A 106 -5.915 -16.746 7.833 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.512 -16.965 7.490 1.00 0.00 C ATOM 1626 C LEU A 106 -3.914 -18.081 8.339 1.00 0.00 C ATOM 1627 O LEU A 106 -3.517 -17.859 9.483 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.716 -15.683 7.708 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.296 -15.681 7.136 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -1.355 -16.463 8.039 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -2.282 -16.255 5.727 1.00 0.00 C ATOM 0 H LEU A 106 -6.144 -15.778 8.058 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.460 -17.255 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.268 -14.854 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.657 -15.491 8.779 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.950 -14.649 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.351 -16.450 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.338 -16.007 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.701 -17.493 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.263 -16.244 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.651 -17.280 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.922 -15.652 5.082 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.854 -19.274 7.771 1.00 0.00 N ATOM 1644 CA VAL A 107 -3.310 -20.432 8.473 1.00 0.00 C ATOM 1645 C VAL A 107 -3.430 -21.690 7.618 1.00 0.00 C ATOM 1646 O VAL A 107 -2.637 -22.630 7.835 1.00 0.00 O ATOM 1647 CB VAL A 107 -4.033 -20.659 9.818 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -5.535 -20.750 9.601 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -3.506 -21.904 10.518 1.00 0.00 C ATOM 0 H VAL A 107 -4.176 -19.469 6.823 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.257 -20.228 8.668 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.830 -19.806 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.032 -20.910 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.895 -19.823 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.756 -21.583 8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.032 -22.040 11.463 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.669 -22.775 9.883 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.439 -21.789 10.710 1.00 0.00 H new TER 1659 VAL A 107