USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 853 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 22 CYS SG : rot -72:sc= -0.535 USER MOD Set 1.2: A 43 ASN : amide:sc= 1.02 K(o=0.49,f=-1.3) USER MOD Set 2.1: A 1 MET CE :methyl 139:sc= -0.86 (180deg=-6.13!) USER MOD Set 2.2: A 4 MET CE :methyl -151:sc= -1.15 (180deg=-3.3!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0.738 (180deg=0.676) USER MOD Single : A 9 SER OG : rot 160:sc= 0.0463 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 GLY N :NH3+ -114:sc= 0.169 (180deg=0) USER MOD Single : A 10 MET CE :methyl 164:sc= -1.7 (180deg=-1.76) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 80:sc= 1.2 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0167 (180deg=-0.139) USER MOD Single : A 24 TYR OH : rot 108:sc= 0.998 USER MOD Single : A 33 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.068) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0599 K(o=-0.06,f=-1.3) USER MOD Single : A 61 CYS SG : rot 28:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= 1.36 (180deg=0.861) USER MOD Single : A 63 ASN : amide:sc= -0.085 X(o=-0.085,f=-0.22) USER MOD Single : A 65 SER OG : rot -170:sc= 0.00258 USER MOD Single : A 68 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.16) USER MOD Single : A 69 TYR OH : rot 175:sc= 0.262 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0308) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 160:sc= -0.132 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc=-0.00412 (180deg=-0.0628) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.31) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc=-0.00534 (180deg=-0.114) USER MOD Single : A 89 ASN : amide:sc= 1.55 K(o=1.6,f=-6.6!) USER MOD Single : A 91 SER OG : rot -21:sc= 0.262 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0607) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0939 F(o=-1.8,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 22.043 2.219 8.657 1.00 0.00 N ATOM 2 CA GLY A -2 20.595 2.011 8.581 1.00 0.00 C ATOM 3 C GLY A -2 20.315 0.791 7.733 1.00 0.00 C ATOM 4 O GLY A -2 21.193 0.317 7.019 1.00 0.00 O ATOM 0 H1 GLY A -2 22.364 2.073 9.635 1.00 0.00 H new ATOM 0 H2 GLY A -2 22.524 1.543 8.030 1.00 0.00 H new ATOM 0 H3 GLY A -2 22.270 3.189 8.359 1.00 0.00 H new ATOM 0 HA2 GLY A -2 20.181 1.877 9.581 1.00 0.00 H new ATOM 0 HA3 GLY A -2 20.111 2.888 8.150 1.00 0.00 H new ATOM 8 N HIS A -1 19.098 0.275 7.830 1.00 0.00 N ATOM 9 CA HIS A -1 18.536 -0.756 6.969 1.00 0.00 C ATOM 10 C HIS A -1 17.023 -0.683 7.162 1.00 0.00 C ATOM 11 O HIS A -1 16.564 -0.099 8.149 1.00 0.00 O ATOM 12 CB HIS A -1 19.091 -2.156 7.316 1.00 0.00 C ATOM 13 CG HIS A -1 19.554 -2.367 8.740 1.00 0.00 C ATOM 14 ND1 HIS A -1 18.782 -2.583 9.861 1.00 0.00 N ATOM 15 CD2 HIS A -1 20.861 -2.371 9.137 1.00 0.00 C ATOM 16 CE1 HIS A -1 19.611 -2.739 10.906 1.00 0.00 C ATOM 17 NE2 HIS A -1 20.894 -2.588 10.523 1.00 0.00 N ATOM 0 H HIS A -1 18.442 0.580 8.549 1.00 0.00 H new ATOM 0 HA HIS A -1 18.808 -0.590 5.927 1.00 0.00 H new ATOM 0 HB2 HIS A -1 18.318 -2.893 7.096 1.00 0.00 H new ATOM 0 HB3 HIS A -1 19.929 -2.365 6.651 1.00 0.00 H new ATOM 0 HD2 HIS A -1 21.719 -2.232 8.496 1.00 0.00 H new ATOM 0 HE1 HIS A -1 19.293 -2.956 11.915 1.00 0.00 H new ATOM 0 HE2 HIS A -1 21.721 -2.624 11.119 1.00 0.00 H new ATOM 25 N MET A 1 16.256 -1.317 6.274 1.00 0.00 N ATOM 26 CA MET A 1 14.847 -1.587 6.524 1.00 0.00 C ATOM 27 C MET A 1 14.618 -3.062 6.293 1.00 0.00 C ATOM 28 O MET A 1 15.092 -3.604 5.298 1.00 0.00 O ATOM 29 CB MET A 1 13.914 -0.777 5.622 1.00 0.00 C ATOM 30 CG MET A 1 12.461 -1.119 5.976 1.00 0.00 C ATOM 31 SD MET A 1 12.042 -0.863 7.725 1.00 0.00 S ATOM 32 CE MET A 1 10.573 -1.904 7.915 1.00 0.00 C ATOM 0 H MET A 1 16.593 -1.653 5.372 1.00 0.00 H new ATOM 0 HA MET A 1 14.616 -1.294 7.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.093 0.290 5.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.111 -1.005 4.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.796 -0.511 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.271 -2.161 5.717 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.620 -2.429 8.869 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.679 -1.281 7.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.534 -2.630 7.103 1.00 0.00 H new ATOM 42 N ILE A 2 13.888 -3.701 7.196 1.00 0.00 N ATOM 43 CA ILE A 2 13.763 -5.142 7.255 1.00 0.00 C ATOM 44 C ILE A 2 12.308 -5.469 7.575 1.00 0.00 C ATOM 45 O ILE A 2 11.646 -4.690 8.259 1.00 0.00 O ATOM 46 CB ILE A 2 14.736 -5.680 8.328 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.191 -5.208 8.073 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.636 -7.206 8.373 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.196 -5.683 9.116 1.00 0.00 C ATOM 0 H ILE A 2 13.357 -3.218 7.921 1.00 0.00 H new ATOM 0 HA ILE A 2 14.024 -5.616 6.309 1.00 0.00 H new ATOM 0 HB ILE A 2 14.451 -5.276 9.299 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.509 -5.561 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.207 -4.119 8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.320 -7.593 9.128 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.616 -7.497 8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.901 -7.617 7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.188 -5.309 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.907 -5.308 10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.213 -6.773 9.135 1.00 0.00 H new ATOM 61 N ASN A 3 11.841 -6.647 7.148 1.00 0.00 N ATOM 62 CA ASN A 3 10.528 -7.199 7.439 1.00 0.00 C ATOM 63 C ASN A 3 9.439 -6.152 7.213 1.00 0.00 C ATOM 64 O ASN A 3 8.876 -5.594 8.158 1.00 0.00 O ATOM 65 CB ASN A 3 10.509 -7.805 8.853 1.00 0.00 C ATOM 66 CG ASN A 3 9.196 -8.511 9.159 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.227 -7.936 9.643 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.090 -9.793 8.859 1.00 0.00 N ATOM 0 H ASN A 3 12.401 -7.266 6.562 1.00 0.00 H new ATOM 0 HA ASN A 3 10.312 -8.013 6.747 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.332 -8.513 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.675 -7.016 9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.214 -10.286 9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.884 -10.290 8.456 1.00 0.00 H new ATOM 75 N MET A 4 9.146 -5.838 5.956 1.00 0.00 N ATOM 76 CA MET A 4 8.157 -4.831 5.595 1.00 0.00 C ATOM 77 C MET A 4 7.243 -5.410 4.537 1.00 0.00 C ATOM 78 O MET A 4 7.669 -6.205 3.696 1.00 0.00 O ATOM 79 CB MET A 4 8.862 -3.604 5.016 1.00 0.00 C ATOM 80 CG MET A 4 8.291 -2.236 5.389 1.00 0.00 C ATOM 81 SD MET A 4 9.341 -0.984 4.606 1.00 0.00 S ATOM 82 CE MET A 4 9.029 0.555 5.515 1.00 0.00 C ATOM 0 H MET A 4 9.593 -6.280 5.152 1.00 0.00 H new ATOM 0 HA MET A 4 7.587 -4.542 6.478 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.905 -3.633 5.330 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.854 -3.690 3.929 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.261 -2.143 5.046 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.280 -2.106 6.471 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.182 1.407 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.002 0.560 5.881 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.715 0.625 6.359 1.00 0.00 H new ATOM 92 N LYS A 5 6.016 -4.910 4.507 1.00 0.00 N ATOM 93 CA LYS A 5 5.098 -5.110 3.403 1.00 0.00 C ATOM 94 C LYS A 5 4.340 -3.820 3.199 1.00 0.00 C ATOM 95 O LYS A 5 3.931 -3.206 4.187 1.00 0.00 O ATOM 96 CB LYS A 5 4.119 -6.249 3.707 1.00 0.00 C ATOM 97 CG LYS A 5 4.567 -7.630 3.210 1.00 0.00 C ATOM 98 CD LYS A 5 4.839 -8.610 4.356 1.00 0.00 C ATOM 99 CE LYS A 5 4.667 -10.037 3.832 1.00 0.00 C ATOM 100 NZ LYS A 5 4.533 -11.027 4.916 1.00 0.00 N ATOM 0 H LYS A 5 5.628 -4.346 5.263 1.00 0.00 H new ATOM 0 HA LYS A 5 5.651 -5.381 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.964 -6.299 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.155 -6.011 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.798 -8.044 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.470 -7.520 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.848 -8.469 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.152 -8.425 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.785 -10.082 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.524 -10.298 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.572 -11.986 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.309 -10.903 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.623 -10.891 5.400 1.00 0.00 H new ATOM 114 N VAL A 6 4.090 -3.467 1.944 1.00 0.00 N ATOM 115 CA VAL A 6 3.232 -2.362 1.559 1.00 0.00 C ATOM 116 C VAL A 6 2.320 -2.840 0.456 1.00 0.00 C ATOM 117 O VAL A 6 2.798 -3.457 -0.492 1.00 0.00 O ATOM 118 CB VAL A 6 4.072 -1.150 1.134 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.276 -0.087 0.365 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.645 -0.481 2.373 1.00 0.00 C ATOM 0 H VAL A 6 4.492 -3.958 1.146 1.00 0.00 H new ATOM 0 HA VAL A 6 2.625 -2.034 2.403 1.00 0.00 H new ATOM 0 HB VAL A 6 4.846 -1.535 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.935 0.739 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.861 -0.528 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.465 0.284 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.243 0.381 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.831 -0.153 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.273 -1.190 2.912 1.00 0.00 H new ATOM 130 N ALA A 7 1.022 -2.556 0.573 1.00 0.00 N ATOM 131 CA ALA A 7 0.087 -2.726 -0.526 1.00 0.00 C ATOM 132 C ALA A 7 0.008 -1.418 -1.316 1.00 0.00 C ATOM 133 O ALA A 7 0.040 -0.330 -0.735 1.00 0.00 O ATOM 134 CB ALA A 7 -1.285 -3.109 0.031 1.00 0.00 C ATOM 0 H ALA A 7 0.597 -2.204 1.430 1.00 0.00 H new ATOM 0 HA ALA A 7 0.423 -3.521 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.989 -3.237 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.204 -4.042 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.642 -2.321 0.694 1.00 0.00 H new ATOM 140 N ILE A 8 -0.150 -1.520 -2.637 1.00 0.00 N ATOM 141 CA ILE A 8 -0.296 -0.388 -3.548 1.00 0.00 C ATOM 142 C ILE A 8 -1.521 -0.680 -4.397 1.00 0.00 C ATOM 143 O ILE A 8 -1.566 -1.708 -5.075 1.00 0.00 O ATOM 144 CB ILE A 8 0.965 -0.196 -4.418 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.211 -0.050 -3.524 1.00 0.00 C ATOM 146 CG2 ILE A 8 0.806 1.038 -5.333 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.506 -0.106 -4.314 1.00 0.00 C ATOM 0 H ILE A 8 -0.181 -2.421 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.418 0.544 -2.997 1.00 0.00 H new ATOM 0 HB ILE A 8 1.092 -1.076 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.159 0.896 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.212 -0.843 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.703 1.159 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.056 0.899 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.659 1.928 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.352 0.002 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.576 -1.063 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.522 0.703 -5.044 1.00 0.00 H new ATOM 159 N SER A 9 -2.518 0.196 -4.330 1.00 0.00 N ATOM 160 CA SER A 9 -3.766 0.075 -5.076 1.00 0.00 C ATOM 161 C SER A 9 -3.568 0.450 -6.565 1.00 0.00 C ATOM 162 O SER A 9 -3.796 1.597 -6.967 1.00 0.00 O ATOM 163 CB SER A 9 -4.833 0.889 -4.325 1.00 0.00 C ATOM 164 OG SER A 9 -4.331 2.073 -3.737 1.00 0.00 O ATOM 0 H SER A 9 -2.480 1.029 -3.742 1.00 0.00 H new ATOM 0 HA SER A 9 -4.115 -0.956 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.634 1.148 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.273 0.265 -3.547 1.00 0.00 H new ATOM 0 HG SER A 9 -5.071 2.691 -3.563 1.00 0.00 H new ATOM 170 N MET A 10 -3.115 -0.509 -7.375 1.00 0.00 N ATOM 171 CA MET A 10 -2.777 -0.401 -8.796 1.00 0.00 C ATOM 172 C MET A 10 -4.005 -0.611 -9.688 1.00 0.00 C ATOM 173 O MET A 10 -4.945 -1.299 -9.297 1.00 0.00 O ATOM 174 CB MET A 10 -1.759 -1.497 -9.153 1.00 0.00 C ATOM 175 CG MET A 10 -0.431 -1.397 -8.386 1.00 0.00 C ATOM 176 SD MET A 10 1.098 -1.357 -9.367 1.00 0.00 S ATOM 177 CE MET A 10 0.747 -0.054 -10.568 1.00 0.00 C ATOM 0 H MET A 10 -2.963 -1.456 -7.027 1.00 0.00 H new ATOM 0 HA MET A 10 -2.376 0.599 -8.965 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.207 -2.471 -8.956 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.552 -1.451 -10.222 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.462 -0.496 -7.774 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.371 -2.244 -7.703 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.677 0.269 -11.036 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.070 -0.436 -11.332 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.283 0.792 -10.062 1.00 0.00 H new ATOM 187 N ASP A 11 -3.978 -0.064 -10.903 1.00 0.00 N ATOM 188 CA ASP A 11 -5.051 -0.232 -11.895 1.00 0.00 C ATOM 189 C ASP A 11 -4.631 -1.199 -12.994 1.00 0.00 C ATOM 190 O ASP A 11 -5.281 -2.204 -13.262 1.00 0.00 O ATOM 191 CB ASP A 11 -5.406 1.128 -12.507 1.00 0.00 C ATOM 192 CG ASP A 11 -6.866 1.146 -12.900 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.286 0.348 -13.742 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.620 1.983 -12.310 1.00 0.00 O ATOM 0 H ASP A 11 -3.206 0.514 -11.234 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.924 -0.646 -11.391 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.203 1.924 -11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.782 1.318 -13.380 1.00 0.00 H new ATOM 199 N VAL A 12 -3.511 -0.895 -13.641 1.00 0.00 N ATOM 200 CA VAL A 12 -2.981 -1.640 -14.771 1.00 0.00 C ATOM 201 C VAL A 12 -1.473 -1.537 -14.647 1.00 0.00 C ATOM 202 O VAL A 12 -0.755 -2.534 -14.617 1.00 0.00 O ATOM 203 CB VAL A 12 -3.461 -1.022 -16.115 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.084 -1.931 -17.290 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.955 -0.688 -16.193 1.00 0.00 C ATOM 0 H VAL A 12 -2.930 -0.097 -13.383 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.321 -2.676 -14.766 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.941 -0.066 -16.173 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.428 -1.482 -18.222 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.001 -2.052 -17.323 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.554 -2.906 -17.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.182 -0.263 -17.171 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.539 -1.597 -16.048 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.207 0.034 -15.416 1.00 0.00 H new ATOM 215 N ASP A 13 -1.002 -0.293 -14.576 1.00 0.00 N ATOM 216 CA ASP A 13 0.373 0.053 -14.896 1.00 0.00 C ATOM 217 C ASP A 13 0.860 1.240 -14.066 1.00 0.00 C ATOM 218 O ASP A 13 2.004 1.670 -14.163 1.00 0.00 O ATOM 219 CB ASP A 13 0.414 0.388 -16.393 1.00 0.00 C ATOM 220 CG ASP A 13 1.432 -0.481 -17.107 1.00 0.00 C ATOM 221 OD1 ASP A 13 2.648 -0.262 -16.925 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.997 -1.384 -17.863 1.00 0.00 O ATOM 0 H ASP A 13 -1.571 0.505 -14.293 1.00 0.00 H new ATOM 0 HA ASP A 13 1.035 -0.781 -14.662 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.572 0.237 -16.832 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.666 1.440 -16.529 1.00 0.00 H new ATOM 227 N LYS A 14 -0.019 1.788 -13.232 1.00 0.00 N ATOM 228 CA LYS A 14 0.213 2.910 -12.342 1.00 0.00 C ATOM 229 C LYS A 14 -0.810 2.822 -11.223 1.00 0.00 C ATOM 230 O LYS A 14 -1.697 1.954 -11.231 1.00 0.00 O ATOM 231 CB LYS A 14 0.105 4.235 -13.119 1.00 0.00 C ATOM 232 CG LYS A 14 -1.276 4.460 -13.757 1.00 0.00 C ATOM 233 CD LYS A 14 -1.224 5.256 -15.062 1.00 0.00 C ATOM 234 CE LYS A 14 -1.162 6.767 -14.860 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.121 7.449 -16.167 1.00 0.00 N ATOM 0 H LYS A 14 -0.973 1.434 -13.159 1.00 0.00 H new ATOM 0 HA LYS A 14 1.217 2.878 -11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.324 5.062 -12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.865 4.252 -13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.740 3.493 -13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.915 4.985 -13.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.353 4.939 -15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.103 5.014 -15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.030 7.102 -14.293 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.279 7.028 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.079 8.478 -16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.279 7.140 -16.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.976 7.211 -16.710 1.00 0.00 H new ATOM 249 N ILE A 15 -0.646 3.697 -10.243 1.00 0.00 N ATOM 250 CA ILE A 15 -1.597 3.870 -9.158 1.00 0.00 C ATOM 251 C ILE A 15 -2.962 4.242 -9.768 1.00 0.00 C ATOM 252 O ILE A 15 -3.005 5.088 -10.669 1.00 0.00 O ATOM 253 CB ILE A 15 -1.022 4.908 -8.165 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.316 4.382 -7.581 1.00 0.00 C ATOM 255 CG2 ILE A 15 -2.044 5.173 -7.058 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.028 5.302 -6.585 1.00 0.00 C ATOM 0 H ILE A 15 0.163 4.315 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.758 2.958 -8.582 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.823 5.848 -8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.124 3.428 -7.089 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.996 4.182 -8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.640 5.904 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.964 5.560 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.257 4.244 -6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.949 4.828 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.264 6.250 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.378 5.484 -5.729 1.00 0.00 H new ATOM 268 N SER A 16 -4.049 3.616 -9.316 1.00 0.00 N ATOM 269 CA SER A 16 -5.393 3.821 -9.865 1.00 0.00 C ATOM 270 C SER A 16 -5.895 5.237 -9.583 1.00 0.00 C ATOM 271 O SER A 16 -5.748 6.129 -10.415 1.00 0.00 O ATOM 272 CB SER A 16 -6.352 2.725 -9.374 1.00 0.00 C ATOM 273 OG SER A 16 -7.656 2.877 -9.863 1.00 0.00 O ATOM 0 H SER A 16 -4.022 2.944 -8.549 1.00 0.00 H new ATOM 0 HA SER A 16 -5.349 3.730 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.968 1.751 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.376 2.733 -8.284 1.00 0.00 H new ATOM 0 HG SER A 16 -7.702 2.540 -10.782 1.00 0.00 H new ATOM 279 N ASN A 17 -6.489 5.443 -8.408 1.00 0.00 N ATOM 280 CA ASN A 17 -7.065 6.704 -7.964 1.00 0.00 C ATOM 281 C ASN A 17 -7.496 6.566 -6.518 1.00 0.00 C ATOM 282 O ASN A 17 -7.309 7.499 -5.744 1.00 0.00 O ATOM 283 CB ASN A 17 -8.295 7.114 -8.787 1.00 0.00 C ATOM 284 CG ASN A 17 -8.195 8.587 -9.149 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.731 8.913 -10.233 1.00 0.00 O ATOM 286 ND2 ASN A 17 -8.559 9.498 -8.268 1.00 0.00 N ATOM 0 H ASN A 17 -6.584 4.702 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.300 7.470 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.358 6.510 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.205 6.930 -8.217 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.455 10.489 -8.486 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.944 9.212 -7.368 1.00 0.00 H new ATOM 293 N SER A 18 -8.044 5.406 -6.143 1.00 0.00 N ATOM 294 CA SER A 18 -8.413 5.140 -4.755 1.00 0.00 C ATOM 295 C SER A 18 -8.276 3.649 -4.425 1.00 0.00 C ATOM 296 O SER A 18 -8.128 2.809 -5.322 1.00 0.00 O ATOM 297 CB SER A 18 -9.813 5.711 -4.410 1.00 0.00 C ATOM 298 OG SER A 18 -10.493 6.333 -5.488 1.00 0.00 O ATOM 0 H SER A 18 -8.241 4.638 -6.784 1.00 0.00 H new ATOM 0 HA SER A 18 -7.710 5.669 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.434 4.901 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.704 6.436 -3.603 1.00 0.00 H new ATOM 0 HG SER A 18 -11.364 6.660 -5.180 1.00 0.00 H new ATOM 304 N PHE A 19 -8.306 3.315 -3.136 1.00 0.00 N ATOM 305 CA PHE A 19 -8.313 1.965 -2.585 1.00 0.00 C ATOM 306 C PHE A 19 -9.490 1.196 -3.177 1.00 0.00 C ATOM 307 O PHE A 19 -9.336 0.096 -3.701 1.00 0.00 O ATOM 308 CB PHE A 19 -8.431 2.080 -1.052 1.00 0.00 C ATOM 309 CG PHE A 19 -8.354 0.782 -0.263 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.462 -0.087 -0.163 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.178 0.472 0.442 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.371 -1.275 0.590 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.102 -0.694 1.220 1.00 0.00 C ATOM 314 CZ PHE A 19 -8.184 -1.585 1.279 1.00 0.00 C ATOM 0 H PHE A 19 -8.327 4.026 -2.405 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.398 1.427 -2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.640 2.741 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.379 2.565 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.385 0.160 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.328 1.135 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.214 -1.949 0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.202 -0.907 1.778 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.107 -2.500 1.848 1.00 0.00 H new ATOM 324 N GLU A 20 -10.670 1.811 -3.116 1.00 0.00 N ATOM 325 CA GLU A 20 -11.947 1.243 -3.525 1.00 0.00 C ATOM 326 C GLU A 20 -12.133 1.234 -5.043 1.00 0.00 C ATOM 327 O GLU A 20 -13.149 0.729 -5.513 1.00 0.00 O ATOM 328 CB GLU A 20 -13.061 2.053 -2.833 1.00 0.00 C ATOM 329 CG GLU A 20 -13.761 1.245 -1.735 1.00 0.00 C ATOM 330 CD GLU A 20 -14.996 0.492 -2.222 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.878 1.136 -2.836 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.099 -0.713 -1.889 1.00 0.00 O ATOM 0 H GLU A 20 -10.763 2.763 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.984 0.196 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.636 2.959 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.795 2.368 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.053 0.531 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.051 1.919 -0.929 1.00 0.00 H new ATOM 339 N ASP A 21 -11.186 1.778 -5.809 1.00 0.00 N ATOM 340 CA ASP A 21 -11.301 1.997 -7.254 1.00 0.00 C ATOM 341 C ASP A 21 -10.198 1.256 -8.012 1.00 0.00 C ATOM 342 O ASP A 21 -10.174 1.229 -9.240 1.00 0.00 O ATOM 343 CB ASP A 21 -11.261 3.522 -7.491 1.00 0.00 C ATOM 344 CG ASP A 21 -11.493 4.003 -8.928 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.324 3.440 -9.672 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.895 5.047 -9.302 1.00 0.00 O ATOM 0 H ASP A 21 -10.291 2.088 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.239 1.595 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.013 3.985 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.290 3.892 -7.161 1.00 0.00 H new ATOM 351 N CYS A 22 -9.266 0.623 -7.296 1.00 0.00 N ATOM 352 CA CYS A 22 -8.165 -0.079 -7.928 1.00 0.00 C ATOM 353 C CYS A 22 -8.582 -1.460 -8.432 1.00 0.00 C ATOM 354 O CYS A 22 -9.697 -1.922 -8.197 1.00 0.00 O ATOM 355 CB CYS A 22 -6.980 -0.120 -6.967 1.00 0.00 C ATOM 356 SG CYS A 22 -7.240 -1.272 -5.599 1.00 0.00 S ATOM 0 H CYS A 22 -9.259 0.587 -6.277 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.855 0.463 -8.821 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.082 -0.407 -7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.805 0.879 -6.568 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.117 -0.778 -4.777 1.00 0.00 H new ATOM 362 N LYS A 23 -7.654 -2.126 -9.111 1.00 0.00 N ATOM 363 CA LYS A 23 -7.832 -3.425 -9.745 1.00 0.00 C ATOM 364 C LYS A 23 -6.999 -4.474 -9.026 1.00 0.00 C ATOM 365 O LYS A 23 -7.451 -5.609 -8.908 1.00 0.00 O ATOM 366 CB LYS A 23 -7.371 -3.320 -11.200 1.00 0.00 C ATOM 367 CG LYS A 23 -8.369 -2.701 -12.191 1.00 0.00 C ATOM 368 CD LYS A 23 -9.228 -1.515 -11.735 1.00 0.00 C ATOM 369 CE LYS A 23 -10.033 -0.947 -12.910 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.899 -1.949 -13.566 1.00 0.00 N ATOM 0 H LYS A 23 -6.712 -1.756 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.881 -3.717 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.454 -2.731 -11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.117 -4.320 -11.551 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.807 -2.382 -13.069 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.045 -3.492 -12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.906 -1.834 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.590 -0.737 -11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.650 -0.122 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.344 -0.534 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.513 -1.476 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.308 -2.654 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.486 -2.423 -12.850 1.00 0.00 H new ATOM 384 N TYR A 24 -5.814 -4.130 -8.511 1.00 0.00 N ATOM 385 CA TYR A 24 -5.064 -5.040 -7.664 1.00 0.00 C ATOM 386 C TYR A 24 -4.230 -4.298 -6.634 1.00 0.00 C ATOM 387 O TYR A 24 -3.983 -3.096 -6.735 1.00 0.00 O ATOM 388 CB TYR A 24 -4.221 -6.014 -8.501 1.00 0.00 C ATOM 389 CG TYR A 24 -3.016 -5.441 -9.220 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.211 -4.768 -10.436 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.706 -5.653 -8.746 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.116 -4.241 -11.152 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.614 -5.105 -9.415 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.811 -4.387 -10.620 1.00 0.00 C ATOM 395 OH TYR A 24 0.272 -3.869 -11.261 1.00 0.00 O ATOM 0 H TYR A 24 -5.362 -3.230 -8.670 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.785 -5.637 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.875 -6.813 -7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.873 -6.472 -9.245 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.211 -4.652 -10.828 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.547 -6.245 -7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.270 -3.733 -12.093 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.382 -5.227 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 24 0.605 -3.092 -10.765 1.00 0.00 H new ATOM 405 N PHE A 25 -3.790 -5.055 -5.638 1.00 0.00 N ATOM 406 CA PHE A 25 -2.985 -4.668 -4.510 1.00 0.00 C ATOM 407 C PHE A 25 -1.620 -5.297 -4.720 1.00 0.00 C ATOM 408 O PHE A 25 -1.451 -6.512 -4.578 1.00 0.00 O ATOM 409 CB PHE A 25 -3.646 -5.141 -3.212 1.00 0.00 C ATOM 410 CG PHE A 25 -5.056 -4.624 -3.024 1.00 0.00 C ATOM 411 CD1 PHE A 25 -5.298 -3.237 -3.043 1.00 0.00 C ATOM 412 CD2 PHE A 25 -6.123 -5.522 -2.834 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.601 -2.752 -2.833 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.420 -5.032 -2.594 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.659 -3.647 -2.593 1.00 0.00 C ATOM 0 H PHE A 25 -4.015 -6.049 -5.606 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.885 -3.586 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.663 -6.231 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.036 -4.822 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.485 -2.548 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.946 -6.587 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.790 -1.689 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.232 -5.720 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.654 -3.270 -2.408 1.00 0.00 H new ATOM 425 N LEU A 26 -0.657 -4.483 -5.138 1.00 0.00 N ATOM 426 CA LEU A 26 0.723 -4.914 -5.265 1.00 0.00 C ATOM 427 C LEU A 26 1.378 -4.863 -3.887 1.00 0.00 C ATOM 428 O LEU A 26 1.685 -3.782 -3.391 1.00 0.00 O ATOM 429 CB LEU A 26 1.449 -4.077 -6.323 1.00 0.00 C ATOM 430 CG LEU A 26 2.861 -4.571 -6.702 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.015 -6.092 -6.755 1.00 0.00 C ATOM 432 CD2 LEU A 26 3.182 -4.080 -8.107 1.00 0.00 C ATOM 0 H LEU A 26 -0.814 -3.509 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 26 0.779 -5.944 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.837 -4.052 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.526 -3.052 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 26 3.521 -4.187 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.039 -6.345 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.786 -6.515 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.329 -6.501 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.178 -4.420 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.448 -4.477 -8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.151 -2.991 -8.128 1.00 0.00 H new ATOM 444 N ILE A 27 1.514 -6.019 -3.240 1.00 0.00 N ATOM 445 CA ILE A 27 2.297 -6.273 -2.041 1.00 0.00 C ATOM 446 C ILE A 27 3.773 -6.157 -2.428 1.00 0.00 C ATOM 447 O ILE A 27 4.354 -7.106 -2.951 1.00 0.00 O ATOM 448 CB ILE A 27 1.949 -7.641 -1.372 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.426 -7.888 -1.280 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.577 -7.701 0.032 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.405 -6.792 -0.593 1.00 0.00 C ATOM 0 H ILE A 27 1.043 -6.862 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 27 2.057 -5.535 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 27 2.361 -8.428 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.041 -8.026 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.264 -8.825 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.334 -8.656 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.659 -7.602 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.183 -6.888 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.456 -7.080 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.061 -6.664 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.288 -5.853 -1.134 1.00 0.00 H new ATOM 463 N VAL A 28 4.387 -5.000 -2.214 1.00 0.00 N ATOM 464 CA VAL A 28 5.839 -4.863 -2.148 1.00 0.00 C ATOM 465 C VAL A 28 6.279 -5.534 -0.844 1.00 0.00 C ATOM 466 O VAL A 28 5.596 -5.377 0.174 1.00 0.00 O ATOM 467 CB VAL A 28 6.240 -3.371 -2.164 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.720 -3.209 -2.527 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.431 -2.548 -3.172 1.00 0.00 C ATOM 0 H VAL A 28 3.887 -4.121 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 28 6.322 -5.330 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 28 6.037 -3.004 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.980 -2.150 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.334 -3.730 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.901 -3.632 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.757 -1.508 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.588 -2.945 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.372 -2.604 -2.921 1.00 0.00 H new ATOM 479 N ARG A 29 7.394 -6.272 -0.842 1.00 0.00 N ATOM 480 CA ARG A 29 7.930 -6.905 0.354 1.00 0.00 C ATOM 481 C ARG A 29 9.428 -6.642 0.428 1.00 0.00 C ATOM 482 O ARG A 29 10.173 -7.023 -0.478 1.00 0.00 O ATOM 483 CB ARG A 29 7.573 -8.390 0.330 1.00 0.00 C ATOM 484 CG ARG A 29 7.882 -9.060 1.673 1.00 0.00 C ATOM 485 CD ARG A 29 9.142 -9.924 1.628 1.00 0.00 C ATOM 486 NE ARG A 29 9.262 -10.782 2.817 1.00 0.00 N ATOM 487 CZ ARG A 29 8.605 -11.932 3.009 1.00 0.00 C ATOM 488 NH1 ARG A 29 7.566 -12.258 2.245 1.00 0.00 N ATOM 489 NH2 ARG A 29 8.968 -12.767 3.973 1.00 0.00 N ATOM 0 H ARG A 29 7.950 -6.444 -1.680 1.00 0.00 H new ATOM 0 HA ARG A 29 7.492 -6.486 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.515 -8.508 0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.131 -8.887 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.000 -8.293 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.034 -9.677 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.124 -10.545 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.020 -9.282 1.553 1.00 0.00 H new ATOM 0 HE ARG A 29 9.897 -10.476 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.262 -11.628 1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.074 -13.138 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.756 -12.536 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.459 -13.641 4.109 1.00 0.00 H new ATOM 503 N ILE A 30 9.844 -5.961 1.489 1.00 0.00 N ATOM 504 CA ILE A 30 11.151 -5.329 1.620 1.00 0.00 C ATOM 505 C ILE A 30 11.796 -5.992 2.827 1.00 0.00 C ATOM 506 O ILE A 30 11.113 -6.243 3.827 1.00 0.00 O ATOM 507 CB ILE A 30 10.992 -3.802 1.820 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.097 -3.152 0.734 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.344 -3.073 1.926 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.394 -1.890 1.240 1.00 0.00 C ATOM 0 H ILE A 30 9.258 -5.829 2.313 1.00 0.00 H new ATOM 0 HA ILE A 30 11.766 -5.454 0.729 1.00 0.00 H new ATOM 0 HB ILE A 30 10.484 -3.684 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.707 -2.902 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.350 -3.873 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.172 -2.006 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.903 -3.464 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 30 12.916 -3.232 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.779 -1.472 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.762 -2.142 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.140 -1.156 1.546 1.00 0.00 H new ATOM 522 N ASP A 31 13.088 -6.309 2.740 1.00 0.00 N ATOM 523 CA ASP A 31 13.750 -7.049 3.818 1.00 0.00 C ATOM 524 C ASP A 31 15.209 -6.680 4.046 1.00 0.00 C ATOM 525 O ASP A 31 15.770 -7.102 5.051 1.00 0.00 O ATOM 526 CB ASP A 31 13.599 -8.560 3.603 1.00 0.00 C ATOM 527 CG ASP A 31 12.535 -9.170 4.515 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.671 -9.109 5.759 1.00 0.00 O ATOM 529 OD2 ASP A 31 11.625 -9.835 3.961 1.00 0.00 O ATOM 0 H ASP A 31 13.689 -6.071 1.951 1.00 0.00 H new ATOM 0 HA ASP A 31 13.236 -6.750 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.337 -8.753 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.556 -9.049 3.787 1.00 0.00 H new ATOM 534 N ASP A 32 15.813 -5.882 3.164 1.00 0.00 N ATOM 535 CA ASP A 32 17.086 -5.212 3.449 1.00 0.00 C ATOM 536 C ASP A 32 17.180 -3.975 2.557 1.00 0.00 C ATOM 537 O ASP A 32 17.945 -3.917 1.599 1.00 0.00 O ATOM 538 CB ASP A 32 18.287 -6.157 3.292 1.00 0.00 C ATOM 539 CG ASP A 32 19.587 -5.513 3.774 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.577 -4.767 4.783 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.649 -5.780 3.167 1.00 0.00 O ATOM 0 H ASP A 32 15.438 -5.682 2.237 1.00 0.00 H new ATOM 0 HA ASP A 32 17.115 -4.901 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.105 -7.072 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.390 -6.442 2.245 1.00 0.00 H new ATOM 546 N ASN A 33 16.282 -3.022 2.814 1.00 0.00 N ATOM 547 CA ASN A 33 16.009 -1.778 2.077 1.00 0.00 C ATOM 548 C ASN A 33 15.552 -1.947 0.624 1.00 0.00 C ATOM 549 O ASN A 33 15.098 -0.981 0.011 1.00 0.00 O ATOM 550 CB ASN A 33 17.189 -0.799 2.183 1.00 0.00 C ATOM 551 CG ASN A 33 16.741 0.622 2.479 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.870 1.522 1.659 1.00 0.00 O ATOM 553 ND2 ASN A 33 16.229 0.843 3.682 1.00 0.00 N ATOM 0 H ASN A 33 15.665 -3.107 3.622 1.00 0.00 H new ATOM 0 HA ASN A 33 15.139 -1.355 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.866 -1.134 2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.753 -0.812 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.931 1.782 3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.133 0.074 4.345 1.00 0.00 H new ATOM 560 N GLU A 34 15.607 -3.163 0.086 1.00 0.00 N ATOM 561 CA GLU A 34 15.289 -3.475 -1.299 1.00 0.00 C ATOM 562 C GLU A 34 14.124 -4.454 -1.391 1.00 0.00 C ATOM 563 O GLU A 34 13.847 -5.218 -0.450 1.00 0.00 O ATOM 564 CB GLU A 34 16.552 -4.030 -1.976 1.00 0.00 C ATOM 565 CG GLU A 34 17.610 -2.937 -2.141 1.00 0.00 C ATOM 566 CD GLU A 34 18.820 -3.415 -2.941 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.782 -3.380 -4.196 1.00 0.00 O ATOM 568 OE2 GLU A 34 19.842 -3.802 -2.334 1.00 0.00 O ATOM 0 H GLU A 34 15.884 -3.984 0.624 1.00 0.00 H new ATOM 0 HA GLU A 34 14.972 -2.570 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.958 -4.848 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.295 -4.443 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.165 -2.076 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.938 -2.601 -1.157 1.00 0.00 H new ATOM 575 N VAL A 35 13.465 -4.439 -2.552 1.00 0.00 N ATOM 576 CA VAL A 35 12.273 -5.199 -2.872 1.00 0.00 C ATOM 577 C VAL A 35 12.720 -6.627 -3.144 1.00 0.00 C ATOM 578 O VAL A 35 12.935 -7.037 -4.288 1.00 0.00 O ATOM 579 CB VAL A 35 11.534 -4.554 -4.069 1.00 0.00 C ATOM 580 CG1 VAL A 35 10.219 -5.298 -4.342 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.205 -3.075 -3.822 1.00 0.00 C ATOM 0 H VAL A 35 13.774 -3.860 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 35 11.556 -5.201 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 35 12.205 -4.624 -4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.708 -4.835 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.433 -6.341 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.582 -5.246 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.687 -2.668 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.566 -2.986 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.128 -2.520 -3.657 1.00 0.00 H new ATOM 591 N LYS A 36 12.894 -7.423 -2.087 1.00 0.00 N ATOM 592 CA LYS A 36 13.332 -8.801 -2.256 1.00 0.00 C ATOM 593 C LYS A 36 12.264 -9.601 -3.008 1.00 0.00 C ATOM 594 O LYS A 36 12.612 -10.511 -3.764 1.00 0.00 O ATOM 595 CB LYS A 36 13.690 -9.457 -0.912 1.00 0.00 C ATOM 596 CG LYS A 36 14.640 -8.675 0.016 1.00 0.00 C ATOM 597 CD LYS A 36 15.862 -8.019 -0.650 1.00 0.00 C ATOM 598 CE LYS A 36 16.948 -7.703 0.387 1.00 0.00 C ATOM 599 NZ LYS A 36 17.962 -8.774 0.502 1.00 0.00 N ATOM 0 H LYS A 36 12.740 -7.138 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 36 14.245 -8.798 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.764 -9.644 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.141 -10.428 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.064 -7.896 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.997 -9.354 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.265 -8.684 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.558 -7.102 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.442 -6.770 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.481 -7.546 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.670 -8.507 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.500 -9.661 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.431 -8.908 -0.417 1.00 0.00 H new ATOM 613 N SER A 37 10.977 -9.272 -2.842 1.00 0.00 N ATOM 614 CA SER A 37 9.874 -9.932 -3.526 1.00 0.00 C ATOM 615 C SER A 37 8.718 -8.939 -3.709 1.00 0.00 C ATOM 616 O SER A 37 8.641 -7.915 -3.027 1.00 0.00 O ATOM 617 CB SER A 37 9.485 -11.164 -2.688 1.00 0.00 C ATOM 618 OG SER A 37 8.496 -11.984 -3.281 1.00 0.00 O ATOM 0 H SER A 37 10.675 -8.526 -2.216 1.00 0.00 H new ATOM 0 HA SER A 37 10.151 -10.267 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.378 -11.763 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.126 -10.828 -1.715 1.00 0.00 H new ATOM 0 HG SER A 37 8.305 -12.744 -2.692 1.00 0.00 H new ATOM 624 N THR A 38 7.790 -9.273 -4.601 1.00 0.00 N ATOM 625 CA THR A 38 6.559 -8.536 -4.866 1.00 0.00 C ATOM 626 C THR A 38 5.419 -9.547 -5.020 1.00 0.00 C ATOM 627 O THR A 38 5.665 -10.732 -5.268 1.00 0.00 O ATOM 628 CB THR A 38 6.701 -7.631 -6.117 1.00 0.00 C ATOM 629 OG1 THR A 38 7.790 -8.022 -6.943 1.00 0.00 O ATOM 630 CG2 THR A 38 6.875 -6.170 -5.706 1.00 0.00 C ATOM 0 H THR A 38 7.880 -10.104 -5.186 1.00 0.00 H new ATOM 0 HA THR A 38 6.340 -7.868 -4.033 1.00 0.00 H new ATOM 0 HB THR A 38 5.783 -7.745 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.842 -7.427 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.973 -5.550 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.006 -5.847 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.771 -6.069 -5.093 1.00 0.00 H new ATOM 638 N LYS A 39 4.169 -9.099 -4.887 1.00 0.00 N ATOM 639 CA LYS A 39 2.988 -9.937 -5.021 1.00 0.00 C ATOM 640 C LYS A 39 1.830 -9.119 -5.517 1.00 0.00 C ATOM 641 O LYS A 39 1.536 -8.086 -4.954 1.00 0.00 O ATOM 642 CB LYS A 39 2.549 -10.446 -3.646 1.00 0.00 C ATOM 643 CG LYS A 39 2.384 -11.956 -3.580 1.00 0.00 C ATOM 644 CD LYS A 39 3.618 -12.603 -2.940 1.00 0.00 C ATOM 645 CE LYS A 39 4.479 -13.420 -3.914 1.00 0.00 C ATOM 646 NZ LYS A 39 4.030 -14.819 -4.096 1.00 0.00 N ATOM 0 H LYS A 39 3.951 -8.124 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 39 3.241 -10.750 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.283 -10.136 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.604 -9.974 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.494 -12.206 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.235 -12.356 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.235 -11.821 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.293 -13.253 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.482 -12.922 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.508 -13.425 -3.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.662 -15.302 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.053 -15.313 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.059 -14.826 -4.468 1.00 0.00 H new ATOM 660 N VAL A 40 1.062 -9.664 -6.440 1.00 0.00 N ATOM 661 CA VAL A 40 -0.263 -9.246 -6.773 1.00 0.00 C ATOM 662 C VAL A 40 -1.389 -10.080 -6.169 1.00 0.00 C ATOM 663 O VAL A 40 -1.386 -11.312 -6.147 1.00 0.00 O ATOM 664 CB VAL A 40 -0.303 -8.731 -8.197 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.433 -9.355 -9.349 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.760 -8.707 -8.709 1.00 0.00 C ATOM 0 H VAL A 40 1.375 -10.455 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.554 -8.355 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 40 0.233 -7.803 -7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.232 -8.789 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.504 -9.346 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.098 -10.384 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.780 -8.335 -9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.172 -9.716 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.358 -8.053 -8.074 1.00 0.00 H new ATOM 676 N ILE A 41 -2.351 -9.339 -5.623 1.00 0.00 N ATOM 677 CA ILE A 41 -3.608 -9.798 -5.078 1.00 0.00 C ATOM 678 C ILE A 41 -4.643 -8.894 -5.753 1.00 0.00 C ATOM 679 O ILE A 41 -4.581 -7.687 -5.536 1.00 0.00 O ATOM 680 CB ILE A 41 -3.595 -9.613 -3.544 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.309 -10.110 -2.849 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.836 -10.309 -3.003 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.378 -10.044 -1.318 1.00 0.00 C ATOM 0 H ILE A 41 -2.256 -8.326 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.816 -10.853 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.606 -8.546 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.116 -11.139 -3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.465 -9.512 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.869 -10.204 -1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.726 -9.856 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.803 -11.367 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.441 -10.408 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.540 -9.013 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.201 -10.664 -0.964 1.00 0.00 H new ATOM 695 N PHE A 42 -5.531 -9.411 -6.604 1.00 0.00 N ATOM 696 CA PHE A 42 -6.550 -8.562 -7.232 1.00 0.00 C ATOM 697 C PHE A 42 -7.493 -7.972 -6.162 1.00 0.00 C ATOM 698 O PHE A 42 -7.567 -8.469 -5.031 1.00 0.00 O ATOM 699 CB PHE A 42 -7.325 -9.363 -8.286 1.00 0.00 C ATOM 700 CG PHE A 42 -6.518 -9.682 -9.529 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.447 -8.754 -10.586 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.820 -10.902 -9.629 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.699 -9.057 -11.735 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.038 -11.183 -10.762 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.976 -10.259 -11.819 1.00 0.00 C ATOM 0 H PHE A 42 -5.568 -10.394 -6.872 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.061 -7.728 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.670 -10.295 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.213 -8.801 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.967 -7.810 -10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.887 -11.625 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.679 -8.361 -12.561 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.485 -12.109 -10.821 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.376 -10.472 -12.691 1.00 0.00 H new ATOM 715 N ASN A 43 -8.198 -6.892 -6.507 1.00 0.00 N ATOM 716 CA ASN A 43 -9.069 -6.142 -5.609 1.00 0.00 C ATOM 717 C ASN A 43 -10.400 -6.881 -5.441 1.00 0.00 C ATOM 718 O ASN A 43 -11.430 -6.462 -5.970 1.00 0.00 O ATOM 719 CB ASN A 43 -9.238 -4.688 -6.101 1.00 0.00 C ATOM 720 CG ASN A 43 -10.208 -3.870 -5.245 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.482 -4.198 -4.086 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.758 -2.790 -5.772 1.00 0.00 N ATOM 0 H ASN A 43 -8.175 -6.506 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.612 -6.076 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.265 -4.197 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.594 -4.699 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.408 -2.228 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.533 -2.518 -6.729 1.00 0.00 H new ATOM 729 N ASP A 44 -10.404 -7.949 -4.640 1.00 0.00 N ATOM 730 CA ASP A 44 -11.569 -8.789 -4.354 1.00 0.00 C ATOM 731 C ASP A 44 -11.772 -8.881 -2.847 1.00 0.00 C ATOM 732 O ASP A 44 -10.865 -8.563 -2.074 1.00 0.00 O ATOM 733 CB ASP A 44 -11.377 -10.213 -4.894 1.00 0.00 C ATOM 734 CG ASP A 44 -11.151 -10.255 -6.398 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.111 -10.017 -7.152 1.00 0.00 O ATOM 736 OD2 ASP A 44 -9.999 -10.548 -6.787 1.00 0.00 O ATOM 0 H ASP A 44 -9.564 -8.264 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.433 -8.334 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.527 -10.674 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.255 -10.810 -4.648 1.00 0.00 H new ATOM 741 N GLU A 45 -12.901 -9.439 -2.404 1.00 0.00 N ATOM 742 CA GLU A 45 -13.061 -9.870 -1.014 1.00 0.00 C ATOM 743 C GLU A 45 -11.949 -10.843 -0.619 1.00 0.00 C ATOM 744 O GLU A 45 -11.376 -10.729 0.466 1.00 0.00 O ATOM 745 CB GLU A 45 -14.447 -10.484 -0.785 1.00 0.00 C ATOM 746 CG GLU A 45 -14.760 -11.763 -1.575 1.00 0.00 C ATOM 747 CD GLU A 45 -16.108 -12.336 -1.155 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.149 -11.811 -1.626 1.00 0.00 O ATOM 749 OE2 GLU A 45 -16.118 -13.321 -0.385 1.00 0.00 O ATOM 0 H GLU A 45 -13.720 -9.603 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.981 -8.992 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.554 -10.703 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.199 -9.735 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.768 -11.545 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.976 -12.502 -1.407 1.00 0.00 H new ATOM 756 N SER A 46 -11.598 -11.754 -1.530 1.00 0.00 N ATOM 757 CA SER A 46 -10.520 -12.707 -1.372 1.00 0.00 C ATOM 758 C SER A 46 -9.162 -12.056 -1.568 1.00 0.00 C ATOM 759 O SER A 46 -8.147 -12.641 -1.199 1.00 0.00 O ATOM 760 CB SER A 46 -10.733 -13.878 -2.336 1.00 0.00 C ATOM 761 OG SER A 46 -11.781 -14.642 -1.789 1.00 0.00 O ATOM 0 H SER A 46 -12.079 -11.843 -2.425 1.00 0.00 H new ATOM 0 HA SER A 46 -10.532 -13.087 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.989 -13.521 -3.334 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.825 -14.473 -2.434 1.00 0.00 H new ATOM 0 HG SER A 46 -11.963 -15.410 -2.370 1.00 0.00 H new ATOM 767 N GLY A 47 -9.121 -10.825 -2.067 1.00 0.00 N ATOM 768 CA GLY A 47 -7.930 -10.028 -1.957 1.00 0.00 C ATOM 769 C GLY A 47 -7.769 -9.580 -0.519 1.00 0.00 C ATOM 770 O GLY A 47 -6.799 -9.938 0.148 1.00 0.00 O ATOM 0 H GLY A 47 -9.898 -10.371 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.060 -10.605 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.994 -9.162 -2.616 1.00 0.00 H new ATOM 774 N LYS A 48 -8.754 -8.837 -0.012 1.00 0.00 N ATOM 775 CA LYS A 48 -8.706 -8.277 1.332 1.00 0.00 C ATOM 776 C LYS A 48 -8.650 -9.361 2.418 1.00 0.00 C ATOM 777 O LYS A 48 -8.211 -9.068 3.532 1.00 0.00 O ATOM 778 CB LYS A 48 -9.878 -7.295 1.516 1.00 0.00 C ATOM 779 CG LYS A 48 -9.663 -5.969 0.739 1.00 0.00 C ATOM 780 CD LYS A 48 -10.632 -5.653 -0.410 1.00 0.00 C ATOM 781 CE LYS A 48 -12.091 -5.674 0.055 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.040 -5.175 -0.964 1.00 0.00 N ATOM 0 H LYS A 48 -9.606 -8.609 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.776 -7.721 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.801 -7.766 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.003 -7.076 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.712 -5.148 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.652 -5.978 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.397 -4.673 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.495 -6.379 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.364 -6.694 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.186 -5.069 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.008 -5.216 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.804 -4.192 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.976 -5.766 -1.817 1.00 0.00 H new ATOM 796 N LYS A 49 -9.050 -10.610 2.138 1.00 0.00 N ATOM 797 CA LYS A 49 -8.878 -11.717 3.075 1.00 0.00 C ATOM 798 C LYS A 49 -7.395 -11.980 3.326 1.00 0.00 C ATOM 799 O LYS A 49 -7.008 -12.142 4.482 1.00 0.00 O ATOM 800 CB LYS A 49 -9.708 -12.952 2.654 1.00 0.00 C ATOM 801 CG LYS A 49 -8.890 -13.955 1.840 1.00 0.00 C ATOM 802 CD LYS A 49 -9.663 -15.149 1.259 1.00 0.00 C ATOM 803 CE LYS A 49 -8.990 -15.719 -0.007 1.00 0.00 C ATOM 804 NZ LYS A 49 -8.159 -16.925 0.205 1.00 0.00 N ATOM 0 H LYS A 49 -9.498 -10.875 1.261 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.289 -11.441 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.099 -13.444 3.545 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.567 -12.626 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.415 -13.421 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.091 -14.340 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.738 -15.933 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.680 -14.839 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.766 -15.956 -0.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.366 -14.941 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.752 -17.230 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.392 -16.705 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.748 -17.689 0.594 1.00 0.00 H new ATOM 818 N SER A 50 -6.593 -12.027 2.263 1.00 0.00 N ATOM 819 CA SER A 50 -5.188 -12.351 2.350 1.00 0.00 C ATOM 820 C SER A 50 -4.444 -11.187 2.988 1.00 0.00 C ATOM 821 O SER A 50 -3.649 -11.436 3.881 1.00 0.00 O ATOM 822 CB SER A 50 -4.661 -12.721 0.963 1.00 0.00 C ATOM 823 OG SER A 50 -5.418 -13.814 0.463 1.00 0.00 O ATOM 0 H SER A 50 -6.913 -11.838 1.313 1.00 0.00 H new ATOM 0 HA SER A 50 -5.026 -13.220 2.987 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.740 -11.868 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.605 -12.987 1.019 1.00 0.00 H new ATOM 0 HG SER A 50 -5.090 -14.059 -0.427 1.00 0.00 H new ATOM 829 N ILE A 51 -4.778 -9.936 2.639 1.00 0.00 N ATOM 830 CA ILE A 51 -4.144 -8.721 3.161 1.00 0.00 C ATOM 831 C ILE A 51 -3.970 -8.777 4.686 1.00 0.00 C ATOM 832 O ILE A 51 -2.863 -8.579 5.185 1.00 0.00 O ATOM 833 CB ILE A 51 -4.929 -7.477 2.690 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.783 -7.320 1.162 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.432 -6.199 3.372 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.460 -6.068 0.605 1.00 0.00 C ATOM 0 H ILE A 51 -5.519 -9.738 1.966 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.135 -8.648 2.756 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.975 -7.624 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.723 -7.293 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.205 -8.198 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.010 -5.347 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.554 -6.292 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.378 -6.047 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.315 -6.026 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.527 -6.102 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.022 -5.182 1.065 1.00 0.00 H new ATOM 848 N VAL A 52 -5.036 -9.080 5.432 1.00 0.00 N ATOM 849 CA VAL A 52 -4.985 -9.123 6.894 1.00 0.00 C ATOM 850 C VAL A 52 -3.977 -10.171 7.391 1.00 0.00 C ATOM 851 O VAL A 52 -3.316 -9.969 8.416 1.00 0.00 O ATOM 852 CB VAL A 52 -6.416 -9.352 7.429 1.00 0.00 C ATOM 853 CG1 VAL A 52 -6.473 -9.509 8.956 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.280 -8.143 7.043 1.00 0.00 C ATOM 0 H VAL A 52 -5.952 -9.301 5.042 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.623 -8.172 7.285 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.779 -10.280 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.506 -9.667 9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.869 -10.365 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.085 -8.607 9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.295 -8.288 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.859 -7.239 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.301 -8.042 5.958 1.00 0.00 H new ATOM 864 N LYS A 53 -3.839 -11.290 6.678 1.00 0.00 N ATOM 865 CA LYS A 53 -2.890 -12.341 7.016 1.00 0.00 C ATOM 866 C LYS A 53 -1.502 -12.055 6.421 1.00 0.00 C ATOM 867 O LYS A 53 -0.522 -12.653 6.863 1.00 0.00 O ATOM 868 CB LYS A 53 -3.445 -13.705 6.567 1.00 0.00 C ATOM 869 CG LYS A 53 -4.388 -14.355 7.599 1.00 0.00 C ATOM 870 CD LYS A 53 -5.625 -13.531 7.994 1.00 0.00 C ATOM 871 CE LYS A 53 -6.531 -14.383 8.892 1.00 0.00 C ATOM 872 NZ LYS A 53 -7.727 -13.659 9.375 1.00 0.00 N ATOM 0 H LYS A 53 -4.390 -11.490 5.843 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.760 -12.367 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.981 -13.579 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.612 -14.381 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.725 -15.312 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.815 -14.569 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.321 -12.625 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.168 -13.217 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.849 -15.268 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.956 -14.732 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.296 -14.290 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.431 -12.829 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.296 -13.348 8.562 1.00 0.00 H new ATOM 886 N GLU A 54 -1.383 -11.119 5.480 1.00 0.00 N ATOM 887 CA GLU A 54 -0.145 -10.753 4.800 1.00 0.00 C ATOM 888 C GLU A 54 0.789 -9.981 5.742 1.00 0.00 C ATOM 889 O GLU A 54 1.978 -9.883 5.450 1.00 0.00 O ATOM 890 CB GLU A 54 -0.484 -9.931 3.533 1.00 0.00 C ATOM 891 CG GLU A 54 0.272 -10.312 2.244 1.00 0.00 C ATOM 892 CD GLU A 54 -0.290 -11.531 1.484 1.00 0.00 C ATOM 893 OE1 GLU A 54 -1.515 -11.793 1.499 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.512 -12.285 0.882 1.00 0.00 O ATOM 0 H GLU A 54 -2.182 -10.573 5.158 1.00 0.00 H new ATOM 0 HA GLU A 54 0.385 -11.657 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.553 -10.024 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.288 -8.880 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.268 -9.453 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.313 -10.512 2.499 1.00 0.00 H new ATOM 901 N ASN A 55 0.261 -9.468 6.865 1.00 0.00 N ATOM 902 CA ASN A 55 0.887 -8.503 7.772 1.00 0.00 C ATOM 903 C ASN A 55 1.487 -7.341 6.978 1.00 0.00 C ATOM 904 O ASN A 55 2.701 -7.151 6.932 1.00 0.00 O ATOM 905 CB ASN A 55 1.884 -9.155 8.749 1.00 0.00 C ATOM 906 CG ASN A 55 2.296 -8.168 9.841 1.00 0.00 C ATOM 907 OD1 ASN A 55 1.600 -8.024 10.848 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.410 -7.482 9.686 1.00 0.00 N ATOM 0 H ASN A 55 -0.672 -9.735 7.180 1.00 0.00 H new ATOM 0 HA ASN A 55 0.108 -8.092 8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.432 -10.038 9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.766 -9.492 8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.706 -6.822 10.405 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.976 -7.611 8.847 1.00 0.00 H new ATOM 915 N VAL A 56 0.627 -6.564 6.316 1.00 0.00 N ATOM 916 CA VAL A 56 1.058 -5.297 5.737 1.00 0.00 C ATOM 917 C VAL A 56 1.402 -4.346 6.892 1.00 0.00 C ATOM 918 O VAL A 56 0.716 -4.322 7.921 1.00 0.00 O ATOM 919 CB VAL A 56 0.006 -4.686 4.791 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.675 -3.772 3.765 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.779 -5.720 3.975 1.00 0.00 C ATOM 0 H VAL A 56 -0.357 -6.788 6.171 1.00 0.00 H new ATOM 0 HA VAL A 56 1.936 -5.468 5.114 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.678 -4.155 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.083 -3.349 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.197 -2.966 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.389 -4.348 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.498 -5.209 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.089 -6.296 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.308 -6.391 4.651 1.00 0.00 H new ATOM 931 N ASN A 57 2.469 -3.572 6.710 1.00 0.00 N ATOM 932 CA ASN A 57 2.940 -2.547 7.635 1.00 0.00 C ATOM 933 C ASN A 57 2.197 -1.238 7.385 1.00 0.00 C ATOM 934 O ASN A 57 1.772 -0.572 8.333 1.00 0.00 O ATOM 935 CB ASN A 57 4.448 -2.365 7.390 1.00 0.00 C ATOM 936 CG ASN A 57 5.125 -1.407 8.358 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.830 -0.219 8.398 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.109 -1.892 9.093 1.00 0.00 N ATOM 0 H ASN A 57 3.054 -3.646 5.877 1.00 0.00 H new ATOM 0 HA ASN A 57 2.756 -2.842 8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.936 -3.337 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.599 -2.003 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.639 -1.274 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.340 -2.884 9.046 1.00 0.00 H new ATOM 945 N ALA A 58 2.008 -0.890 6.109 1.00 0.00 N ATOM 946 CA ALA A 58 1.439 0.374 5.679 1.00 0.00 C ATOM 947 C ALA A 58 0.845 0.214 4.275 1.00 0.00 C ATOM 948 O ALA A 58 1.202 -0.727 3.568 1.00 0.00 O ATOM 949 CB ALA A 58 2.545 1.432 5.692 1.00 0.00 C ATOM 0 H ALA A 58 2.256 -1.502 5.332 1.00 0.00 H new ATOM 0 HA ALA A 58 0.640 0.686 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.136 2.390 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.945 1.528 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.343 1.133 5.013 1.00 0.00 H new ATOM 955 N ILE A 59 -0.045 1.105 3.848 1.00 0.00 N ATOM 956 CA ILE A 59 -0.629 1.092 2.502 1.00 0.00 C ATOM 957 C ILE A 59 -0.329 2.444 1.853 1.00 0.00 C ATOM 958 O ILE A 59 -0.495 3.476 2.509 1.00 0.00 O ATOM 959 CB ILE A 59 -2.154 0.848 2.569 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.537 -0.380 3.421 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.730 0.672 1.148 1.00 0.00 C ATOM 962 CD1 ILE A 59 -3.967 -0.291 3.977 1.00 0.00 C ATOM 0 H ILE A 59 -0.388 1.868 4.431 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.197 0.283 1.912 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.581 1.728 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.442 -1.281 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.835 -0.477 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.805 0.501 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.539 1.572 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.254 -0.182 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.183 -1.181 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.058 0.594 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.675 -0.223 3.151 1.00 0.00 H new ATOM 974 N ILE A 60 0.030 2.455 0.567 1.00 0.00 N ATOM 975 CA ILE A 60 0.132 3.672 -0.235 1.00 0.00 C ATOM 976 C ILE A 60 -1.158 3.773 -1.039 1.00 0.00 C ATOM 977 O ILE A 60 -1.430 2.882 -1.855 1.00 0.00 O ATOM 978 CB ILE A 60 1.353 3.615 -1.184 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.658 3.485 -0.370 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.421 4.885 -2.054 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.926 3.260 -1.204 1.00 0.00 C ATOM 0 H ILE A 60 0.260 1.607 0.049 1.00 0.00 H new ATOM 0 HA ILE A 60 0.270 4.542 0.406 1.00 0.00 H new ATOM 0 HB ILE A 60 1.240 2.744 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.789 4.389 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.550 2.656 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.286 4.827 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.513 4.966 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.513 5.761 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.788 3.182 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.825 2.339 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.067 4.099 -1.885 1.00 0.00 H new ATOM 993 N CYS A 61 -1.912 4.862 -0.899 1.00 0.00 N ATOM 994 CA CYS A 61 -2.955 5.202 -1.857 1.00 0.00 C ATOM 995 C CYS A 61 -3.054 6.715 -2.055 1.00 0.00 C ATOM 996 O CYS A 61 -2.639 7.503 -1.213 1.00 0.00 O ATOM 997 CB CYS A 61 -4.293 4.551 -1.475 1.00 0.00 C ATOM 998 SG CYS A 61 -4.738 4.844 0.259 1.00 0.00 S ATOM 0 H CYS A 61 -1.817 5.524 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.681 4.787 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.080 4.941 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.236 3.478 -1.656 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.214 5.965 0.658 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.599 7.125 -3.196 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.089 8.467 -3.448 1.00 0.00 C ATOM 1006 C LYS A 62 -5.331 8.656 -2.584 1.00 0.00 C ATOM 1007 O LYS A 62 -5.339 9.584 -1.787 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.405 8.652 -4.940 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.170 8.714 -5.853 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.607 8.719 -7.322 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.452 8.692 -8.336 1.00 0.00 C ATOM 1012 NZ LYS A 62 -1.788 9.998 -8.512 1.00 0.00 N ATOM 0 H LYS A 62 -3.714 6.505 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.338 9.216 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.042 7.830 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.979 9.570 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.590 9.610 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.521 7.859 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.248 7.855 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.212 9.608 -7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.713 7.959 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.834 8.355 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.582 10.150 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.414 10.755 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.900 10.011 -7.971 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.338 7.776 -2.637 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.593 7.982 -1.892 1.00 0.00 C ATOM 1028 C ASN A 63 -8.089 6.680 -1.278 1.00 0.00 C ATOM 1029 O ASN A 63 -7.703 5.600 -1.728 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.625 8.668 -2.785 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.286 10.154 -2.884 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.159 10.860 -1.885 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.980 10.621 -4.078 1.00 0.00 N ATOM 0 H ASN A 63 -6.312 6.916 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.409 8.650 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.626 8.215 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.626 8.537 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.635 11.575 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.089 10.028 -4.901 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.941 6.772 -0.259 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.526 5.649 0.485 1.00 0.00 C ATOM 1042 C ILE A 64 -10.838 6.082 1.157 1.00 0.00 C ATOM 1043 O ILE A 64 -10.857 7.041 1.924 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.508 5.080 1.506 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -9.149 3.959 2.354 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.902 6.165 2.408 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -8.182 3.304 3.341 1.00 0.00 C ATOM 0 H ILE A 64 -9.261 7.675 0.091 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.764 4.846 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.687 4.658 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.994 4.371 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.547 3.194 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.197 5.709 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.382 6.900 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.696 6.657 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.704 2.527 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.349 2.861 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.803 4.056 4.033 1.00 0.00 H new ATOM 1059 N SER A 65 -11.923 5.345 0.921 1.00 0.00 N ATOM 1060 CA SER A 65 -13.235 5.604 1.507 1.00 0.00 C ATOM 1061 C SER A 65 -13.156 5.505 3.031 1.00 0.00 C ATOM 1062 O SER A 65 -12.458 4.626 3.539 1.00 0.00 O ATOM 1063 CB SER A 65 -14.212 4.569 0.945 1.00 0.00 C ATOM 1064 OG SER A 65 -14.088 4.539 -0.469 1.00 0.00 O ATOM 0 H SER A 65 -11.913 4.534 0.303 1.00 0.00 H new ATOM 0 HA SER A 65 -13.576 6.609 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.000 3.585 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.234 4.822 1.228 1.00 0.00 H new ATOM 0 HG SER A 65 -14.813 4.000 -0.850 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.868 6.367 3.758 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.751 6.481 5.209 1.00 0.00 C ATOM 1072 C GLU A 66 -14.069 5.152 5.915 1.00 0.00 C ATOM 1073 O GLU A 66 -13.383 4.785 6.869 1.00 0.00 O ATOM 1074 CB GLU A 66 -14.630 7.635 5.713 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.199 8.085 7.116 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.167 9.095 7.732 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.317 8.715 8.019 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -14.758 10.227 8.088 1.00 0.00 O ATOM 0 H GLU A 66 -14.547 7.010 3.351 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.715 6.711 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.564 8.475 5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.673 7.320 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.126 7.214 7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.204 8.527 7.062 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.048 4.388 5.425 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.416 3.094 5.987 1.00 0.00 C ATOM 1087 C GLU A 67 -14.253 2.098 5.913 1.00 0.00 C ATOM 1088 O GLU A 67 -14.012 1.346 6.859 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.628 2.568 5.232 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.522 1.725 6.155 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.273 0.211 6.106 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -16.920 -0.334 5.038 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.494 -0.500 7.117 1.00 0.00 O ATOM 0 H GLU A 67 -15.611 4.657 4.618 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.660 3.216 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.200 3.403 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.301 1.965 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.382 2.067 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.564 1.914 5.896 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.519 2.106 4.793 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.297 1.313 4.612 1.00 0.00 C ATOM 1102 C ASN A 68 -11.191 1.859 5.504 1.00 0.00 C ATOM 1103 O ASN A 68 -10.517 1.093 6.188 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.793 1.318 3.153 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.240 0.093 2.382 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.041 -1.039 2.809 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.844 0.285 1.222 1.00 0.00 N ATOM 0 H ASN A 68 -13.760 2.670 3.978 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.548 0.287 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.157 2.213 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.704 1.370 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.152 -0.515 0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.002 1.233 0.880 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.992 3.176 5.493 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.977 3.869 6.268 1.00 0.00 C ATOM 1116 C TYR A 69 -10.056 3.434 7.726 1.00 0.00 C ATOM 1117 O TYR A 69 -9.091 2.849 8.213 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.148 5.378 6.077 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.101 6.171 6.806 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.270 6.484 8.164 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.920 6.524 6.139 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -8.242 7.128 8.861 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.906 7.214 6.808 1.00 0.00 C ATOM 1124 CZ TYR A 69 -7.058 7.506 8.184 1.00 0.00 C ATOM 1125 OH TYR A 69 -6.013 8.057 8.854 1.00 0.00 O ATOM 0 H TYR A 69 -11.555 3.807 4.923 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.977 3.610 5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.103 5.614 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.136 5.676 6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.190 6.229 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.793 6.260 5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.352 7.337 9.915 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.015 7.521 6.280 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.258 8.177 8.241 1.00 0.00 H new ATOM 1135 N LYS A 70 -11.208 3.626 8.380 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.408 3.265 9.784 1.00 0.00 C ATOM 1137 C LYS A 70 -11.226 1.766 10.042 1.00 0.00 C ATOM 1138 O LYS A 70 -11.089 1.346 11.195 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.809 3.687 10.247 1.00 0.00 C ATOM 1140 CG LYS A 70 -13.008 5.207 10.280 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.380 5.526 10.890 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.815 6.979 10.681 1.00 0.00 C ATOM 1143 NZ LYS A 70 -13.800 7.965 11.101 1.00 0.00 N ATOM 0 H LYS A 70 -12.032 4.040 7.944 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.644 3.796 10.352 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.551 3.245 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.992 3.283 11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.218 5.676 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.941 5.616 9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.127 4.864 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.353 5.313 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.045 7.133 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.735 7.158 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.202 8.923 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.510 7.769 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.972 7.899 10.475 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.284 0.927 9.006 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.089 -0.506 9.131 1.00 0.00 C ATOM 1159 C LYS A 71 -9.614 -0.855 9.149 1.00 0.00 C ATOM 1160 O LYS A 71 -9.201 -1.659 9.979 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.819 -1.220 7.981 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.186 -2.666 8.314 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.547 -2.787 9.018 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.578 -2.090 10.384 1.00 0.00 C ATOM 1165 NZ LYS A 71 -14.892 -2.168 11.037 1.00 0.00 N ATOM 0 H LYS A 71 -11.470 1.233 8.051 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.509 -0.843 10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.726 -0.668 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.187 -1.206 7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.204 -3.253 7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.413 -3.095 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.320 -2.358 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.790 -3.841 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.828 -2.541 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.302 -1.043 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.853 -1.681 11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.607 -1.713 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.147 -3.165 11.185 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.832 -0.305 8.225 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.431 -0.672 8.079 1.00 0.00 C ATOM 1181 C PHE A 72 -6.546 0.135 9.043 1.00 0.00 C ATOM 1182 O PHE A 72 -5.516 -0.374 9.495 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.033 -0.553 6.600 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.538 -1.727 5.762 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -8.854 -1.761 5.254 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -6.703 -2.836 5.538 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -9.317 -2.875 4.531 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -7.170 -3.959 4.837 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.476 -3.981 4.323 1.00 0.00 C ATOM 0 H PHE A 72 -9.150 0.402 7.562 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.275 -1.712 8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.431 0.377 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.947 -0.496 6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.513 -0.922 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.689 -2.824 5.910 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.322 -2.880 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.521 -4.810 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.831 -4.840 3.773 1.00 0.00 H new ATOM 1199 N SER A 73 -6.980 1.329 9.464 1.00 0.00 N ATOM 1200 CA SER A 73 -6.305 2.152 10.469 1.00 0.00 C ATOM 1201 C SER A 73 -6.216 1.477 11.843 1.00 0.00 C ATOM 1202 O SER A 73 -5.535 1.977 12.739 1.00 0.00 O ATOM 1203 CB SER A 73 -7.042 3.486 10.596 1.00 0.00 C ATOM 1204 OG SER A 73 -8.357 3.244 11.045 1.00 0.00 O ATOM 0 H SER A 73 -7.832 1.759 9.105 1.00 0.00 H new ATOM 0 HA SER A 73 -5.280 2.303 10.130 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.520 4.139 11.295 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.061 3.999 9.634 1.00 0.00 H new ATOM 0 HG SER A 73 -8.727 4.065 11.431 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.876 0.326 12.026 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.796 -0.509 13.220 1.00 0.00 C ATOM 1212 C LYS A 74 -5.346 -0.698 13.652 1.00 0.00 C ATOM 1213 O LYS A 74 -5.082 -0.654 14.853 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.505 -1.846 12.936 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.107 -2.534 14.166 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.171 -3.321 15.095 1.00 0.00 C ATOM 1217 CE LYS A 74 -6.689 -4.639 14.475 1.00 0.00 C ATOM 1218 NZ LYS A 74 -6.492 -5.681 15.507 1.00 0.00 N ATOM 0 H LYS A 74 -7.501 -0.059 11.318 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.301 -0.022 14.054 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.300 -1.672 12.211 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.792 -2.526 12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.603 -1.770 14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.881 -3.218 13.818 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.307 -2.703 15.341 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.689 -3.533 16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.417 -4.985 13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.753 -4.471 13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.166 -6.559 15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.780 -5.360 16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.391 -5.857 15.998 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.434 -0.892 12.691 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.998 -1.034 12.927 1.00 0.00 C ATOM 1234 C LYS A 75 -2.170 -0.413 11.797 1.00 0.00 C ATOM 1235 O LYS A 75 -1.044 0.020 12.032 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.672 -2.535 13.061 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.660 -2.905 14.153 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.216 -2.442 13.918 1.00 0.00 C ATOM 1239 CE LYS A 75 0.751 -2.927 15.007 1.00 0.00 C ATOM 1240 NZ LYS A 75 0.876 -4.400 15.091 1.00 0.00 N ATOM 0 H LYS A 75 -4.684 -0.956 11.704 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.738 -0.503 13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.600 -3.073 13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.291 -2.891 12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.006 -2.486 15.098 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.659 -3.989 14.267 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.124 -2.807 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.191 -1.353 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.736 -2.499 14.820 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.416 -2.546 15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.641 -4.646 15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.019 -4.805 15.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.094 -4.784 14.149 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.680 -0.407 10.567 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.877 -0.174 9.377 1.00 0.00 C ATOM 1256 C ILE A 76 -1.878 1.336 9.115 1.00 0.00 C ATOM 1257 O ILE A 76 -2.920 1.993 9.189 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.479 -0.982 8.209 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.619 -2.493 8.526 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.598 -0.841 6.964 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.725 -3.127 7.688 1.00 0.00 C ATOM 0 H ILE A 76 -3.668 -0.565 10.371 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.845 -0.504 9.497 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.475 -0.574 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.674 -2.999 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.838 -2.627 9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.031 -1.415 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.537 0.209 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.598 -1.217 7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.802 -4.187 7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.673 -2.635 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.491 -3.012 6.630 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.711 1.891 8.815 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.482 3.310 8.533 1.00 0.00 C ATOM 1275 C GLU A 77 -0.817 3.555 7.053 1.00 0.00 C ATOM 1276 O GLU A 77 -0.515 2.708 6.211 1.00 0.00 O ATOM 1277 CB GLU A 77 0.979 3.611 8.899 1.00 0.00 C ATOM 1278 CG GLU A 77 1.117 3.504 10.433 1.00 0.00 C ATOM 1279 CD GLU A 77 2.548 3.474 10.955 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.180 4.553 11.024 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.956 2.402 11.466 1.00 0.00 O ATOM 0 H GLU A 77 0.146 1.341 8.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.113 3.981 9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.649 2.906 8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.259 4.608 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.599 4.348 10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.607 2.600 10.765 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.475 4.668 6.712 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.985 4.922 5.363 1.00 0.00 C ATOM 1290 C ILE A 78 -1.324 6.193 4.820 1.00 0.00 C ATOM 1291 O ILE A 78 -1.513 7.285 5.361 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.535 4.930 5.339 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.079 3.609 5.948 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.005 5.137 3.886 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.569 3.318 5.755 1.00 0.00 C ATOM 0 H ILE A 78 -1.669 5.423 7.370 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.715 4.111 4.687 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.925 5.747 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.514 2.781 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.871 3.618 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.094 5.145 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.624 6.087 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.629 4.325 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.818 2.368 6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.157 4.115 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.794 3.264 4.690 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.515 6.019 3.774 1.00 0.00 N ATOM 1308 CA TYR A 79 0.358 7.024 3.190 1.00 0.00 C ATOM 1309 C TYR A 79 -0.217 7.546 1.882 1.00 0.00 C ATOM 1310 O TYR A 79 -0.743 6.767 1.080 1.00 0.00 O ATOM 1311 CB TYR A 79 1.741 6.416 2.979 1.00 0.00 C ATOM 1312 CG TYR A 79 2.551 6.289 4.255 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.375 5.209 5.144 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.499 7.282 4.551 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.218 5.078 6.267 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.365 7.143 5.644 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.245 6.026 6.493 1.00 0.00 C ATOM 1318 OH TYR A 79 5.127 5.866 7.515 1.00 0.00 O ATOM 0 H TYR A 79 -0.452 5.124 3.290 1.00 0.00 H new ATOM 0 HA TYR A 79 0.440 7.873 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.630 5.429 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.294 7.030 2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.596 4.483 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.561 8.163 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.080 4.256 6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.122 7.890 5.834 1.00 0.00 H new ATOM 0 HH TYR A 79 5.763 6.612 7.518 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.096 8.857 1.670 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.570 9.511 0.466 1.00 0.00 C ATOM 1330 C HIS A 80 0.427 9.235 -0.652 1.00 0.00 C ATOM 1331 O HIS A 80 1.626 9.459 -0.485 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.759 11.023 0.698 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.874 11.674 -0.105 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -2.090 13.030 -0.232 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.896 11.052 -0.775 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.210 13.215 -0.952 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.728 12.036 -1.323 1.00 0.00 N ATOM 0 H HIS A 80 0.338 9.493 2.339 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.546 9.115 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.954 11.189 1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.177 11.529 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.035 9.985 -0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.633 14.178 -1.197 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.562 11.885 -1.891 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.064 8.738 -1.784 1.00 0.00 N ATOM 1346 CA ALA A 81 0.726 8.625 -2.997 1.00 0.00 C ATOM 1347 C ALA A 81 1.014 10.029 -3.529 1.00 0.00 C ATOM 1348 O ALA A 81 0.085 10.785 -3.826 1.00 0.00 O ATOM 1349 CB ALA A 81 -0.036 7.813 -4.043 1.00 0.00 C ATOM 0 H ALA A 81 -1.022 8.403 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 81 1.664 8.115 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.564 7.733 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.238 6.816 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.978 8.310 -4.274 1.00 0.00 H new ATOM 1355 N GLU A 82 2.288 10.363 -3.694 1.00 0.00 N ATOM 1356 CA GLU A 82 2.783 11.637 -4.209 1.00 0.00 C ATOM 1357 C GLU A 82 2.791 11.684 -5.744 1.00 0.00 C ATOM 1358 O GLU A 82 3.293 12.645 -6.338 1.00 0.00 O ATOM 1359 CB GLU A 82 4.181 11.884 -3.607 1.00 0.00 C ATOM 1360 CG GLU A 82 4.131 12.635 -2.269 1.00 0.00 C ATOM 1361 CD GLU A 82 3.704 14.094 -2.435 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.192 14.784 -3.356 1.00 0.00 O ATOM 1363 OE2 GLU A 82 2.870 14.580 -1.629 1.00 0.00 O ATOM 0 H GLU A 82 3.045 9.720 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 82 2.109 12.439 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.683 10.927 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.781 12.455 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.436 12.130 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.113 12.598 -1.798 1.00 0.00 H new ATOM 1370 N GLY A 83 2.245 10.677 -6.426 1.00 0.00 N ATOM 1371 CA GLY A 83 2.306 10.591 -7.871 1.00 0.00 C ATOM 1372 C GLY A 83 1.551 9.379 -8.394 1.00 0.00 C ATOM 1373 O GLY A 83 0.779 8.753 -7.667 1.00 0.00 O ATOM 0 H GLY A 83 1.750 9.902 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.887 11.497 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.347 10.536 -8.189 1.00 0.00 H new ATOM 1377 N ASP A 84 1.729 9.103 -9.683 1.00 0.00 N ATOM 1378 CA ASP A 84 1.306 7.878 -10.366 1.00 0.00 C ATOM 1379 C ASP A 84 2.506 6.956 -10.570 1.00 0.00 C ATOM 1380 O ASP A 84 2.326 5.766 -10.829 1.00 0.00 O ATOM 1381 CB ASP A 84 0.720 8.198 -11.753 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.628 8.903 -11.730 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.749 9.966 -11.075 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.562 8.450 -12.426 1.00 0.00 O ATOM 0 H ASP A 84 2.194 9.757 -10.312 1.00 0.00 H new ATOM 0 HA ASP A 84 0.549 7.398 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.430 8.821 -12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.618 7.268 -12.312 1.00 0.00 H new ATOM 1389 N ASP A 85 3.721 7.507 -10.471 1.00 0.00 N ATOM 1390 CA ASP A 85 4.983 6.782 -10.527 1.00 0.00 C ATOM 1391 C ASP A 85 5.058 5.905 -9.289 1.00 0.00 C ATOM 1392 O ASP A 85 5.291 6.395 -8.177 1.00 0.00 O ATOM 1393 CB ASP A 85 6.179 7.737 -10.558 1.00 0.00 C ATOM 1394 CG ASP A 85 7.461 7.073 -11.044 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.744 5.954 -10.576 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.191 7.709 -11.833 1.00 0.00 O ATOM 0 H ASP A 85 3.851 8.511 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 85 5.022 6.186 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.946 8.581 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.342 8.139 -9.558 1.00 0.00 H new ATOM 1401 N VAL A 86 4.781 4.617 -9.455 1.00 0.00 N ATOM 1402 CA VAL A 86 4.904 3.673 -8.360 1.00 0.00 C ATOM 1403 C VAL A 86 6.332 3.706 -7.827 1.00 0.00 C ATOM 1404 O VAL A 86 6.504 3.682 -6.610 1.00 0.00 O ATOM 1405 CB VAL A 86 4.490 2.260 -8.817 1.00 0.00 C ATOM 1406 CG1 VAL A 86 4.928 1.174 -7.827 1.00 0.00 C ATOM 1407 CG2 VAL A 86 2.971 2.197 -8.992 1.00 0.00 C ATOM 0 H VAL A 86 4.471 4.207 -10.336 1.00 0.00 H new ATOM 0 HA VAL A 86 4.231 3.955 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 86 4.992 2.069 -9.765 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.613 0.198 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.013 1.190 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.470 1.361 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.683 1.197 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.486 2.426 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.661 2.924 -9.743 1.00 0.00 H new ATOM 1417 N ASP A 87 7.339 3.782 -8.695 1.00 0.00 N ATOM 1418 CA ASP A 87 8.744 3.684 -8.312 1.00 0.00 C ATOM 1419 C ASP A 87 9.174 4.933 -7.544 1.00 0.00 C ATOM 1420 O ASP A 87 9.898 4.829 -6.555 1.00 0.00 O ATOM 1421 CB ASP A 87 9.639 3.471 -9.538 1.00 0.00 C ATOM 1422 CG ASP A 87 9.773 2.020 -9.985 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.899 1.178 -9.666 1.00 0.00 O ATOM 1424 OD2 ASP A 87 10.744 1.730 -10.722 1.00 0.00 O ATOM 0 H ASP A 87 7.199 3.915 -9.697 1.00 0.00 H new ATOM 0 HA ASP A 87 8.857 2.817 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.242 4.057 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.632 3.862 -9.318 1.00 0.00 H new ATOM 1429 N LYS A 88 8.667 6.117 -7.906 1.00 0.00 N ATOM 1430 CA LYS A 88 8.898 7.304 -7.086 1.00 0.00 C ATOM 1431 C LYS A 88 8.318 7.106 -5.694 1.00 0.00 C ATOM 1432 O LYS A 88 8.927 7.465 -4.690 1.00 0.00 O ATOM 1433 CB LYS A 88 8.319 8.548 -7.772 1.00 0.00 C ATOM 1434 CG LYS A 88 8.748 9.888 -7.148 1.00 0.00 C ATOM 1435 CD LYS A 88 10.226 9.953 -6.737 1.00 0.00 C ATOM 1436 CE LYS A 88 10.797 11.372 -6.740 1.00 0.00 C ATOM 1437 NZ LYS A 88 10.956 11.877 -8.118 1.00 0.00 N ATOM 0 H LYS A 88 8.106 6.275 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 88 9.972 7.458 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.617 8.539 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.231 8.485 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.546 10.688 -7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.131 10.080 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.337 9.527 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.811 9.333 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.137 12.034 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.762 11.380 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.582 12.708 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.372 11.133 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.026 12.146 -8.498 1.00 0.00 H new ATOM 1451 N ASN A 89 7.125 6.527 -5.617 1.00 0.00 N ATOM 1452 CA ASN A 89 6.451 6.301 -4.351 1.00 0.00 C ATOM 1453 C ASN A 89 7.123 5.190 -3.548 1.00 0.00 C ATOM 1454 O ASN A 89 7.062 5.215 -2.323 1.00 0.00 O ATOM 1455 CB ASN A 89 4.973 6.028 -4.623 1.00 0.00 C ATOM 1456 CG ASN A 89 4.271 7.361 -4.828 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.836 7.991 -3.875 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.235 7.864 -6.045 1.00 0.00 N ATOM 0 H ASN A 89 6.602 6.203 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 89 6.526 7.193 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.859 5.399 -5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.527 5.488 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.840 8.791 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.602 7.326 -6.830 1.00 0.00 H new ATOM 1465 N ILE A 90 7.794 4.241 -4.200 1.00 0.00 N ATOM 1466 CA ILE A 90 8.642 3.230 -3.592 1.00 0.00 C ATOM 1467 C ILE A 90 9.796 3.953 -2.897 1.00 0.00 C ATOM 1468 O ILE A 90 9.970 3.766 -1.691 1.00 0.00 O ATOM 1469 CB ILE A 90 9.089 2.224 -4.681 1.00 0.00 C ATOM 1470 CG1 ILE A 90 8.010 1.215 -5.141 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.387 1.478 -4.338 1.00 0.00 C ATOM 1472 CD1 ILE A 90 6.626 1.237 -4.500 1.00 0.00 C ATOM 0 H ILE A 90 7.755 4.157 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 90 8.121 2.642 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 90 9.279 2.882 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.873 1.352 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.419 0.215 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.637 0.791 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.196 2.197 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.250 0.916 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.005 0.461 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.718 1.055 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 90 6.164 2.211 -4.664 1.00 0.00 H new ATOM 1484 N SER A 91 10.562 4.764 -3.633 1.00 0.00 N ATOM 1485 CA SER A 91 11.779 5.358 -3.099 1.00 0.00 C ATOM 1486 C SER A 91 11.450 6.333 -1.964 1.00 0.00 C ATOM 1487 O SER A 91 12.121 6.329 -0.928 1.00 0.00 O ATOM 1488 CB SER A 91 12.604 5.973 -4.239 1.00 0.00 C ATOM 1489 OG SER A 91 11.966 7.066 -4.879 1.00 0.00 O ATOM 0 H SER A 91 10.356 5.021 -4.599 1.00 0.00 H new ATOM 0 HA SER A 91 12.407 4.589 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.564 6.305 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.815 5.202 -4.980 1.00 0.00 H new ATOM 0 HG SER A 91 11.002 7.027 -4.709 1.00 0.00 H new ATOM 1495 N LEU A 92 10.380 7.122 -2.133 1.00 0.00 N ATOM 1496 CA LEU A 92 9.891 8.048 -1.119 1.00 0.00 C ATOM 1497 C LEU A 92 9.464 7.275 0.128 1.00 0.00 C ATOM 1498 O LEU A 92 9.754 7.704 1.245 1.00 0.00 O ATOM 1499 CB LEU A 92 8.699 8.858 -1.663 1.00 0.00 C ATOM 1500 CG LEU A 92 9.032 9.936 -2.710 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.747 10.405 -3.405 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.706 11.154 -2.078 1.00 0.00 C ATOM 0 H LEU A 92 9.828 7.130 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 92 10.695 8.737 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.984 8.162 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.200 9.339 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 92 9.718 9.486 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.991 11.168 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.271 9.558 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.065 10.822 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.924 11.891 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.040 11.594 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.635 10.847 -1.597 1.00 0.00 H new ATOM 1514 N PHE A 93 8.767 6.148 -0.044 1.00 0.00 N ATOM 1515 CA PHE A 93 8.240 5.388 1.074 1.00 0.00 C ATOM 1516 C PHE A 93 9.360 4.890 1.993 1.00 0.00 C ATOM 1517 O PHE A 93 9.281 5.098 3.206 1.00 0.00 O ATOM 1518 CB PHE A 93 7.377 4.224 0.585 1.00 0.00 C ATOM 1519 CG PHE A 93 6.942 3.333 1.722 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.012 3.793 2.675 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.569 2.088 1.891 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.700 2.999 3.792 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.224 1.286 2.983 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.293 1.735 3.935 1.00 0.00 C ATOM 0 H PHE A 93 8.558 5.746 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 93 7.609 6.058 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.498 4.614 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.937 3.637 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.539 4.755 2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.312 1.752 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.007 3.360 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.677 0.312 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.034 1.108 4.776 1.00 0.00 H new ATOM 1534 N ILE A 94 10.368 4.211 1.437 1.00 0.00 N ATOM 1535 CA ILE A 94 11.490 3.640 2.179 1.00 0.00 C ATOM 1536 C ILE A 94 12.217 4.751 2.947 1.00 0.00 C ATOM 1537 O ILE A 94 12.591 4.537 4.101 1.00 0.00 O ATOM 1538 CB ILE A 94 12.461 2.897 1.231 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.774 1.831 0.343 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.589 2.207 2.027 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.544 1.659 -0.969 1.00 0.00 C ATOM 0 H ILE A 94 10.425 4.040 0.433 1.00 0.00 H new ATOM 0 HA ILE A 94 11.106 2.910 2.892 1.00 0.00 H new ATOM 0 HB ILE A 94 12.863 3.670 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.728 0.880 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.747 2.129 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.258 1.692 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.150 2.956 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.156 1.486 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.051 0.907 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.567 2.608 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.564 1.340 -0.753 1.00 0.00 H new ATOM 1553 N GLU A 95 12.402 5.928 2.341 1.00 0.00 N ATOM 1554 CA GLU A 95 13.048 7.052 3.011 1.00 0.00 C ATOM 1555 C GLU A 95 12.205 7.624 4.150 1.00 0.00 C ATOM 1556 O GLU A 95 12.754 8.290 5.030 1.00 0.00 O ATOM 1557 CB GLU A 95 13.386 8.153 1.994 1.00 0.00 C ATOM 1558 CG GLU A 95 14.674 7.801 1.248 1.00 0.00 C ATOM 1559 CD GLU A 95 15.459 9.038 0.830 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.154 9.636 1.687 1.00 0.00 O ATOM 1561 OE2 GLU A 95 15.447 9.384 -0.368 1.00 0.00 O ATOM 0 H GLU A 95 12.111 6.124 1.383 1.00 0.00 H new ATOM 0 HA GLU A 95 13.967 6.671 3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.566 8.269 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.502 9.108 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.300 7.175 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.429 7.213 0.363 1.00 0.00 H new ATOM 1568 N GLY A 96 10.902 7.349 4.180 1.00 0.00 N ATOM 1569 CA GLY A 96 9.973 7.953 5.123 1.00 0.00 C ATOM 1570 C GLY A 96 9.438 9.290 4.612 1.00 0.00 C ATOM 1571 O GLY A 96 8.808 10.015 5.376 1.00 0.00 O ATOM 0 H GLY A 96 10.459 6.690 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.141 7.272 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.472 8.103 6.080 1.00 0.00 H new ATOM 1575 N GLU A 97 9.717 9.666 3.358 1.00 0.00 N ATOM 1576 CA GLU A 97 9.373 10.973 2.801 1.00 0.00 C ATOM 1577 C GLU A 97 7.859 11.141 2.598 1.00 0.00 C ATOM 1578 O GLU A 97 7.374 12.276 2.613 1.00 0.00 O ATOM 1579 CB GLU A 97 10.095 11.190 1.454 1.00 0.00 C ATOM 1580 CG GLU A 97 11.474 11.865 1.542 1.00 0.00 C ATOM 1581 CD GLU A 97 11.674 12.868 0.394 1.00 0.00 C ATOM 1582 OE1 GLU A 97 11.081 13.974 0.466 1.00 0.00 O ATOM 1583 OE2 GLU A 97 12.418 12.613 -0.577 1.00 0.00 O ATOM 0 H GLU A 97 10.196 9.058 2.694 1.00 0.00 H new ATOM 0 HA GLU A 97 9.700 11.720 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.214 10.223 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.454 11.795 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.570 12.379 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.256 11.107 1.507 1.00 0.00 H new ATOM 1590 N LEU A 98 7.097 10.061 2.387 1.00 0.00 N ATOM 1591 CA LEU A 98 5.661 10.168 2.125 1.00 0.00 C ATOM 1592 C LEU A 98 4.931 10.650 3.373 1.00 0.00 C ATOM 1593 O LEU A 98 5.180 10.208 4.497 1.00 0.00 O ATOM 1594 CB LEU A 98 5.059 8.832 1.650 1.00 0.00 C ATOM 1595 CG LEU A 98 5.512 8.326 0.268 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.758 7.032 -0.062 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.250 9.343 -0.850 1.00 0.00 C ATOM 0 H LEU A 98 7.453 9.105 2.393 1.00 0.00 H new ATOM 0 HA LEU A 98 5.531 10.894 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.300 8.068 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.974 8.932 1.637 1.00 0.00 H new ATOM 0 HG LEU A 98 6.588 8.160 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.073 6.667 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.978 6.279 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.686 7.229 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.589 8.933 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.182 9.555 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.792 10.264 -0.638 1.00 0.00 H new ATOM 1609 N SER A 99 3.975 11.542 3.152 1.00 0.00 N ATOM 1610 CA SER A 99 3.037 11.980 4.162 1.00 0.00 C ATOM 1611 C SER A 99 2.017 10.877 4.414 1.00 0.00 C ATOM 1612 O SER A 99 1.529 10.248 3.473 1.00 0.00 O ATOM 1613 CB SER A 99 2.367 13.251 3.646 1.00 0.00 C ATOM 1614 OG SER A 99 3.295 14.315 3.597 1.00 0.00 O ATOM 0 H SER A 99 3.832 11.987 2.245 1.00 0.00 H new ATOM 0 HA SER A 99 3.536 12.191 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.955 13.074 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.533 13.518 4.294 1.00 0.00 H new ATOM 0 HG SER A 99 2.850 15.122 3.263 1.00 0.00 H new ATOM 1620 N LYS A 100 1.661 10.649 5.677 1.00 0.00 N ATOM 1621 CA LYS A 100 0.454 9.909 6.010 1.00 0.00 C ATOM 1622 C LYS A 100 -0.726 10.847 5.859 1.00 0.00 C ATOM 1623 O LYS A 100 -0.608 12.043 6.118 1.00 0.00 O ATOM 1624 CB LYS A 100 0.520 9.335 7.420 1.00 0.00 C ATOM 1625 CG LYS A 100 1.540 8.185 7.447 1.00 0.00 C ATOM 1626 CD LYS A 100 1.728 7.579 8.840 1.00 0.00 C ATOM 1627 CE LYS A 100 2.066 8.649 9.880 1.00 0.00 C ATOM 1628 NZ LYS A 100 3.244 9.464 9.504 1.00 0.00 N ATOM 0 H LYS A 100 2.195 10.968 6.485 1.00 0.00 H new ATOM 0 HA LYS A 100 0.347 9.060 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.809 10.111 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.462 8.974 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.216 7.404 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.500 8.551 7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.818 7.058 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.525 6.836 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.205 9.304 10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.254 8.169 10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.520 10.066 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.035 8.836 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.006 10.063 8.688 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.862 10.288 5.468 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.049 11.078 5.174 1.00 0.00 C ATOM 1644 C ILE A 101 -3.647 11.654 6.451 1.00 0.00 C ATOM 1645 O ILE A 101 -4.091 12.803 6.439 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.028 10.204 4.379 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.492 10.090 2.941 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.465 10.741 4.360 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -3.781 8.721 2.355 1.00 0.00 C ATOM 0 H ILE A 101 -1.987 9.283 5.346 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.796 11.942 4.559 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.085 9.233 4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.949 10.859 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.417 10.272 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.097 10.069 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.844 10.803 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.477 11.732 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.391 8.671 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.303 7.955 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.858 8.552 2.339 1.00 0.00 H new ATOM 1661 N SER A 102 -3.651 10.857 7.525 1.00 0.00 N ATOM 1662 CA SER A 102 -4.276 11.182 8.798 1.00 0.00 C ATOM 1663 C SER A 102 -5.704 11.709 8.576 1.00 0.00 C ATOM 1664 O SER A 102 -5.996 12.863 8.866 1.00 0.00 O ATOM 1665 CB SER A 102 -3.356 12.131 9.576 1.00 0.00 C ATOM 1666 OG SER A 102 -2.042 11.594 9.658 1.00 0.00 O ATOM 0 H SER A 102 -3.203 9.940 7.525 1.00 0.00 H new ATOM 0 HA SER A 102 -4.398 10.292 9.415 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.328 13.104 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.753 12.291 10.578 1.00 0.00 H new ATOM 0 HG SER A 102 -1.467 12.212 10.156 1.00 0.00 H new ATOM 1672 N ASN A 103 -6.562 10.812 8.072 1.00 0.00 N ATOM 1673 CA ASN A 103 -7.997 10.908 7.773 1.00 0.00 C ATOM 1674 C ASN A 103 -8.409 11.940 6.705 1.00 0.00 C ATOM 1675 O ASN A 103 -7.756 12.974 6.559 1.00 0.00 O ATOM 1676 CB ASN A 103 -8.820 11.038 9.070 1.00 0.00 C ATOM 1677 CG ASN A 103 -8.889 12.448 9.653 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -9.721 13.326 9.131 1.00 0.00 O flip ATOM 1679 ND2 ASN A 103 -8.254 12.734 10.666 1.00 0.00 N flip ATOM 0 H ASN A 103 -6.220 9.881 7.834 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.238 9.962 7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.835 10.692 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.395 10.371 9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.609 12.056 11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.372 13.649 11.100 1.00 0.00 H new ATOM 1686 N PRO A 104 -9.513 11.690 5.967 1.00 0.00 N ATOM 1687 CA PRO A 104 -10.181 12.726 5.191 1.00 0.00 C ATOM 1688 C PRO A 104 -10.851 13.681 6.164 1.00 0.00 C ATOM 1689 O PRO A 104 -10.589 14.895 6.061 1.00 0.00 O ATOM 1690 CB PRO A 104 -11.212 12.020 4.312 1.00 0.00 C ATOM 1691 CG PRO A 104 -11.572 10.774 5.122 1.00 0.00 C ATOM 1692 CD PRO A 104 -10.295 10.457 5.907 1.00 0.00 C ATOM 0 HA PRO A 104 -9.494 13.296 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -12.084 12.648 4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.799 11.760 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.414 10.961 5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -11.857 9.946 4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.536 10.104 6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.728 9.664 5.418 1.00 0.00 H new TER 1700 PRO A 104