USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 77 GLN : amide:sc= 1.23 K(o=2.1,f=-0.29) USER MOD Set 1.2: A 88 ASN : amide:sc= 0.917 K(o=2.1,f=-1.7!) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.0345 K(o=2.5,f=1.4) USER MOD Set 2.2: A 39 GLN : amide:sc= 1.41 K(o=2.5,f=-2.1) USER MOD Set 2.3: A 57 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.824 K(o=3.2,f=-8.7!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 136:sc= 2.35 (180deg=-0.292) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= 1.19 (180deg=-0.251) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.473 USER MOD Single : A 50 THR OG1 : rot 76:sc= -0.501! USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.2) USER MOD Single : A 59 SER OG : rot -43:sc= 1.1 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 1.27 (180deg=0.688) USER MOD Single : A 72 SER OG : rot -49:sc= 0.828 USER MOD Single : A 74 CYS SG : rot -67:sc= 0.241 USER MOD Single : A 86 HIS : no HE2:sc= 0.824 K(o=0.82,f=-2.9!) USER MOD Single : A 91 MET CE :methyl -138:sc= 0 (180deg=-0.947) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 23:sc= 0.676 USER MOD Single : A 119 LYS NZ :NH3+ 153:sc= 1.25 (180deg=-0.207) USER MOD Single : A 120 MET CE :methyl -160:sc= -0.221 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 5.869 9.897 0.825 1.00 0.00 N ATOM 42 CA GLN A 30 6.859 8.901 1.225 1.00 0.00 C ATOM 43 C GLN A 30 7.333 8.073 0.033 1.00 0.00 C ATOM 44 O GLN A 30 6.528 7.470 -0.681 1.00 0.00 O ATOM 45 CB GLN A 30 6.275 7.978 2.299 1.00 0.00 C ATOM 46 CG GLN A 30 6.829 8.227 3.693 1.00 0.00 C ATOM 47 CD GLN A 30 7.487 6.998 4.289 1.00 0.00 C ATOM 48 OE1 GLN A 30 8.586 6.615 3.898 1.00 0.00 O ATOM 49 NE2 GLN A 30 6.818 6.369 5.243 1.00 0.00 N ATOM 0 HA GLN A 30 7.719 9.433 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.192 8.102 2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.471 6.943 2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.555 9.039 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.021 8.555 4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.907 6.717 5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.214 5.536 5.679 1.00 0.00 H new ATOM 58 N LYS A 31 8.644 8.044 -0.182 1.00 0.00 N ATOM 59 CA LYS A 31 9.222 7.282 -1.282 1.00 0.00 C ATOM 60 C LYS A 31 9.557 5.862 -0.831 1.00 0.00 C ATOM 61 O LYS A 31 10.249 5.663 0.169 1.00 0.00 O ATOM 62 CB LYS A 31 10.480 7.977 -1.810 1.00 0.00 C ATOM 63 CG LYS A 31 10.814 7.623 -3.251 1.00 0.00 C ATOM 64 CD LYS A 31 11.792 8.616 -3.860 1.00 0.00 C ATOM 65 CE LYS A 31 11.098 9.585 -4.808 1.00 0.00 C ATOM 66 NZ LYS A 31 11.790 9.666 -6.126 1.00 0.00 N ATOM 0 H LYS A 31 9.326 8.540 0.392 1.00 0.00 H new ATOM 0 HA LYS A 31 8.488 7.229 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.348 9.056 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.325 7.712 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.241 6.621 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.899 7.603 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.284 9.176 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.571 8.076 -4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.066 9.269 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.065 10.575 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.083 9.697 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.373 10.527 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.398 8.831 -6.251 1.00 0.00 H new ATOM 80 N ALA A 32 9.056 4.876 -1.569 1.00 0.00 N ATOM 81 CA ALA A 32 9.296 3.473 -1.241 1.00 0.00 C ATOM 82 C ALA A 32 10.758 3.085 -1.476 1.00 0.00 C ATOM 83 O ALA A 32 11.433 3.647 -2.339 1.00 0.00 O ATOM 84 CB ALA A 32 8.372 2.583 -2.053 1.00 0.00 C ATOM 0 H ALA A 32 8.481 5.022 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 32 9.084 3.333 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.559 1.539 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.335 2.831 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.558 2.739 -3.116 1.00 0.00 H new ATOM 90 N GLN A 33 11.235 2.110 -0.707 1.00 0.00 N ATOM 91 CA GLN A 33 12.618 1.654 -0.826 1.00 0.00 C ATOM 92 C GLN A 33 12.799 0.732 -2.032 1.00 0.00 C ATOM 93 O GLN A 33 11.915 -0.060 -2.367 1.00 0.00 O ATOM 94 CB GLN A 33 13.064 0.945 0.460 1.00 0.00 C ATOM 95 CG GLN A 33 12.408 -0.410 0.689 1.00 0.00 C ATOM 96 CD GLN A 33 12.598 -0.927 2.103 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.052 -2.050 2.311 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.247 -0.115 3.087 1.00 0.00 N ATOM 0 H GLN A 33 10.688 1.622 0.002 1.00 0.00 H new ATOM 0 HA GLN A 33 13.245 2.532 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.145 0.812 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.845 1.590 1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.342 -0.332 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.822 -1.132 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.874 0.810 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.350 -0.415 4.057 1.00 0.00 H new ATOM 107 N GLN A 34 13.949 0.847 -2.686 1.00 0.00 N ATOM 108 CA GLN A 34 14.254 0.026 -3.852 1.00 0.00 C ATOM 109 C GLN A 34 15.134 -1.161 -3.466 1.00 0.00 C ATOM 110 O GLN A 34 16.274 -0.989 -3.034 1.00 0.00 O ATOM 111 CB GLN A 34 14.948 0.866 -4.929 1.00 0.00 C ATOM 112 CG GLN A 34 14.248 2.185 -5.220 1.00 0.00 C ATOM 113 CD GLN A 34 14.711 2.817 -6.517 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.670 3.582 -6.544 1.00 0.00 O ATOM 115 NE2 GLN A 34 14.027 2.502 -7.606 1.00 0.00 N ATOM 0 H GLN A 34 14.687 1.502 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 34 13.315 -0.357 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.972 1.070 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.006 0.285 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.172 2.019 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.429 2.877 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.235 1.862 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.292 2.899 -8.507 1.00 0.00 H new ATOM 124 N LYS A 35 14.593 -2.363 -3.617 1.00 0.00 N ATOM 125 CA LYS A 35 15.323 -3.585 -3.285 1.00 0.00 C ATOM 126 C LYS A 35 15.976 -4.205 -4.528 1.00 0.00 C ATOM 127 O LYS A 35 16.306 -3.504 -5.486 1.00 0.00 O ATOM 128 CB LYS A 35 14.381 -4.594 -2.621 1.00 0.00 C ATOM 129 CG LYS A 35 13.481 -3.982 -1.557 1.00 0.00 C ATOM 130 CD LYS A 35 14.049 -4.181 -0.160 1.00 0.00 C ATOM 131 CE LYS A 35 13.252 -5.207 0.629 1.00 0.00 C ATOM 132 NZ LYS A 35 12.965 -4.744 2.015 1.00 0.00 N ATOM 0 H LYS A 35 13.648 -2.521 -3.968 1.00 0.00 H new ATOM 0 HA LYS A 35 16.119 -3.323 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.760 -5.057 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.974 -5.389 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.359 -2.917 -1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.490 -4.432 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.088 -4.504 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.047 -3.230 0.373 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.314 -5.412 0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.806 -6.145 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.974 -4.953 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.592 -5.236 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.128 -3.719 2.079 1.00 0.00 H new ATOM 146 N ASN A 36 16.148 -5.524 -4.513 1.00 0.00 N ATOM 147 CA ASN A 36 16.775 -6.234 -5.629 1.00 0.00 C ATOM 148 C ASN A 36 15.791 -6.510 -6.773 1.00 0.00 C ATOM 149 O ASN A 36 15.326 -7.636 -6.947 1.00 0.00 O ATOM 150 CB ASN A 36 17.378 -7.552 -5.136 1.00 0.00 C ATOM 151 CG ASN A 36 18.882 -7.471 -4.961 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.383 -6.733 -4.117 1.00 0.00 O ATOM 153 ND2 ASN A 36 19.613 -8.231 -5.759 1.00 0.00 N ATOM 0 H ASN A 36 15.862 -6.125 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 36 17.560 -5.588 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.919 -7.825 -4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.140 -8.345 -5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 36 20.630 -8.217 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.160 -8.831 -6.448 1.00 0.00 H new ATOM 160 N GLY A 37 15.475 -5.472 -7.545 1.00 0.00 N ATOM 161 CA GLY A 37 14.567 -5.633 -8.675 1.00 0.00 C ATOM 162 C GLY A 37 13.117 -5.289 -8.360 1.00 0.00 C ATOM 163 O GLY A 37 12.280 -5.250 -9.258 1.00 0.00 O ATOM 0 H GLY A 37 15.829 -4.525 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.909 -5.002 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.617 -6.664 -9.024 1.00 0.00 H new ATOM 167 N TYR A 38 12.820 -5.039 -7.091 1.00 0.00 N ATOM 168 CA TYR A 38 11.459 -4.702 -6.672 1.00 0.00 C ATOM 169 C TYR A 38 11.471 -3.624 -5.590 1.00 0.00 C ATOM 170 O TYR A 38 12.493 -3.390 -4.952 1.00 0.00 O ATOM 171 CB TYR A 38 10.728 -5.958 -6.170 1.00 0.00 C ATOM 172 CG TYR A 38 11.301 -6.566 -4.906 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.433 -7.372 -4.947 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.703 -6.341 -3.671 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.953 -7.934 -3.796 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.217 -6.899 -2.517 1.00 0.00 C ATOM 177 CZ TYR A 38 12.341 -7.694 -2.584 1.00 0.00 C ATOM 178 OH TYR A 38 12.853 -8.253 -1.436 1.00 0.00 O ATOM 0 H TYR A 38 13.501 -5.062 -6.332 1.00 0.00 H new ATOM 0 HA TYR A 38 10.925 -4.308 -7.537 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.682 -5.706 -5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.746 -6.711 -6.958 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.915 -7.562 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.822 -5.719 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.833 -8.557 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.740 -6.713 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 38 12.305 -7.984 -0.669 1.00 0.00 H new ATOM 188 N GLN A 39 10.337 -2.960 -5.390 1.00 0.00 N ATOM 189 CA GLN A 39 10.246 -1.910 -4.373 1.00 0.00 C ATOM 190 C GLN A 39 9.350 -2.342 -3.213 1.00 0.00 C ATOM 191 O GLN A 39 8.470 -3.191 -3.370 1.00 0.00 O ATOM 192 CB GLN A 39 9.726 -0.597 -4.968 1.00 0.00 C ATOM 193 CG GLN A 39 9.991 -0.432 -6.458 1.00 0.00 C ATOM 194 CD GLN A 39 10.790 0.821 -6.780 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.694 0.802 -7.615 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.461 1.921 -6.122 1.00 0.00 N ATOM 0 H GLN A 39 9.475 -3.125 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 39 11.255 -1.743 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.652 -0.534 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.185 0.236 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.530 -1.305 -6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.040 -0.398 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.706 1.899 -5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.963 2.791 -6.300 1.00 0.00 H new ATOM 205 N GLU A 40 9.575 -1.739 -2.051 1.00 0.00 N ATOM 206 CA GLU A 40 8.801 -2.064 -0.852 1.00 0.00 C ATOM 207 C GLU A 40 8.563 -0.826 0.019 1.00 0.00 C ATOM 208 O GLU A 40 9.422 0.049 0.125 1.00 0.00 O ATOM 209 CB GLU A 40 9.537 -3.135 -0.039 1.00 0.00 C ATOM 210 CG GLU A 40 8.710 -3.733 1.090 1.00 0.00 C ATOM 211 CD GLU A 40 9.527 -3.981 2.344 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.257 -4.999 2.391 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.441 -3.158 3.280 1.00 0.00 O ATOM 0 H GLU A 40 10.287 -1.022 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 40 7.829 -2.441 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.849 -3.935 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.444 -2.699 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.884 -3.061 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.271 -4.673 0.755 1.00 0.00 H new ATOM 220 N ILE A 41 7.389 -0.757 0.636 1.00 0.00 N ATOM 221 CA ILE A 41 7.051 0.365 1.515 1.00 0.00 C ATOM 222 C ILE A 41 6.227 -0.108 2.714 1.00 0.00 C ATOM 223 O ILE A 41 5.228 -0.813 2.561 1.00 0.00 O ATOM 224 CB ILE A 41 6.284 1.484 0.761 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.718 2.512 1.747 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.162 0.902 -0.084 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.353 3.883 1.637 1.00 0.00 C ATOM 0 H ILE A 41 6.655 -1.460 0.547 1.00 0.00 H new ATOM 0 HA ILE A 41 7.994 0.781 1.870 1.00 0.00 H new ATOM 0 HB ILE A 41 6.991 1.984 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.645 2.605 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.854 2.140 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.641 1.707 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.579 0.210 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.461 0.370 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.899 4.554 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.423 3.805 1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.194 4.278 0.634 1.00 0.00 H new ATOM 239 N ARG A 42 6.664 0.269 3.912 1.00 0.00 N ATOM 240 CA ARG A 42 5.962 -0.108 5.134 1.00 0.00 C ATOM 241 C ARG A 42 4.923 0.946 5.515 1.00 0.00 C ATOM 242 O ARG A 42 5.259 2.052 5.941 1.00 0.00 O ATOM 243 CB ARG A 42 6.951 -0.314 6.281 1.00 0.00 C ATOM 244 CG ARG A 42 6.738 -1.620 7.030 1.00 0.00 C ATOM 245 CD ARG A 42 7.699 -1.757 8.200 1.00 0.00 C ATOM 246 NE ARG A 42 7.032 -2.271 9.394 1.00 0.00 N ATOM 247 CZ ARG A 42 7.615 -2.383 10.576 1.00 0.00 C ATOM 248 NH1 ARG A 42 8.867 -2.025 10.738 1.00 0.00 N ATOM 249 NH2 ARG A 42 6.944 -2.852 11.598 1.00 0.00 N ATOM 0 H ARG A 42 7.500 0.834 4.062 1.00 0.00 H new ATOM 0 HA ARG A 42 5.444 -1.048 4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.966 -0.292 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.863 0.517 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.712 -1.668 7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.874 -2.458 6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.515 -2.425 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.143 -0.786 8.421 1.00 0.00 H new ATOM 0 HE ARG A 42 6.058 -2.561 9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.398 -1.657 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.309 -2.115 11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.970 -3.132 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.396 -2.938 12.509 1.00 0.00 H new ATOM 263 N VAL A 43 3.657 0.586 5.356 1.00 0.00 N ATOM 264 CA VAL A 43 2.548 1.476 5.672 1.00 0.00 C ATOM 265 C VAL A 43 1.958 1.135 7.039 1.00 0.00 C ATOM 266 O VAL A 43 1.243 0.142 7.195 1.00 0.00 O ATOM 267 CB VAL A 43 1.453 1.397 4.583 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.331 2.388 4.853 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.055 1.651 3.213 1.00 0.00 C ATOM 0 H VAL A 43 3.370 -0.328 5.006 1.00 0.00 H new ATOM 0 HA VAL A 43 2.932 2.496 5.702 1.00 0.00 H new ATOM 0 HB VAL A 43 1.029 0.393 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.422 2.307 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.125 2.168 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.735 3.400 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.273 1.592 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.507 2.643 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.818 0.900 3.006 1.00 0.00 H new ATOM 279 N GLU A 44 2.279 1.958 8.031 1.00 0.00 N ATOM 280 CA GLU A 44 1.785 1.752 9.390 1.00 0.00 C ATOM 281 C GLU A 44 0.302 2.105 9.489 1.00 0.00 C ATOM 282 O GLU A 44 -0.093 3.255 9.274 1.00 0.00 O ATOM 283 CB GLU A 44 2.599 2.584 10.387 1.00 0.00 C ATOM 284 CG GLU A 44 2.515 2.074 11.818 1.00 0.00 C ATOM 285 CD GLU A 44 3.734 1.270 12.226 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.727 1.879 12.674 1.00 0.00 O ATOM 287 OE2 GLU A 44 3.694 0.026 12.099 1.00 0.00 O ATOM 0 H GLU A 44 2.880 2.775 7.921 1.00 0.00 H new ATOM 0 HA GLU A 44 1.902 0.697 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.643 2.592 10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.249 3.616 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.400 2.921 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.624 1.456 11.927 1.00 0.00 H new ATOM 294 N VAL A 45 -0.507 1.105 9.821 1.00 0.00 N ATOM 295 CA VAL A 45 -1.951 1.271 9.932 1.00 0.00 C ATOM 296 C VAL A 45 -2.387 1.443 11.392 1.00 0.00 C ATOM 297 O VAL A 45 -2.513 0.471 12.145 1.00 0.00 O ATOM 298 CB VAL A 45 -2.681 0.061 9.294 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.164 0.065 9.618 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.472 0.053 7.787 1.00 0.00 C ATOM 0 H VAL A 45 -0.181 0.159 10.020 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.224 2.178 9.393 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.251 -0.846 9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.640 -0.798 9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.301 0.017 10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.618 0.979 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.990 -0.802 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.869 0.974 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.407 -0.019 7.568 1.00 0.00 H new ATOM 310 N MET A 46 -2.593 2.694 11.787 1.00 0.00 N ATOM 311 CA MET A 46 -3.027 3.016 13.148 1.00 0.00 C ATOM 312 C MET A 46 -3.963 4.226 13.137 1.00 0.00 C ATOM 313 O MET A 46 -3.529 5.367 13.296 1.00 0.00 O ATOM 314 CB MET A 46 -1.823 3.279 14.062 1.00 0.00 C ATOM 315 CG MET A 46 -0.691 4.039 13.389 1.00 0.00 C ATOM 316 SD MET A 46 0.836 4.000 14.348 1.00 0.00 S ATOM 317 CE MET A 46 0.521 5.304 15.537 1.00 0.00 C ATOM 0 H MET A 46 -2.467 3.507 11.184 1.00 0.00 H new ATOM 0 HA MET A 46 -3.570 2.157 13.542 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.157 3.842 14.933 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.441 2.325 14.426 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.508 3.612 12.403 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.994 5.075 13.237 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.377 5.403 16.204 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.360 6.245 15.011 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.367 5.058 16.120 1.00 0.00 H new ATOM 327 N GLY A 47 -5.254 3.968 12.943 1.00 0.00 N ATOM 328 CA GLY A 47 -6.229 5.047 12.880 1.00 0.00 C ATOM 329 C GLY A 47 -6.297 5.655 11.488 1.00 0.00 C ATOM 330 O GLY A 47 -7.096 6.551 11.220 1.00 0.00 O ATOM 0 H GLY A 47 -5.643 3.032 12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.212 4.668 13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.966 5.819 13.603 1.00 0.00 H new ATOM 334 N GLY A 48 -5.441 5.147 10.608 1.00 0.00 N ATOM 335 CA GLY A 48 -5.373 5.614 9.240 1.00 0.00 C ATOM 336 C GLY A 48 -4.075 5.189 8.580 1.00 0.00 C ATOM 337 O GLY A 48 -3.319 4.395 9.145 1.00 0.00 O ATOM 0 H GLY A 48 -4.779 4.403 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.218 5.219 8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.456 6.701 9.219 1.00 0.00 H new ATOM 341 N TYR A 49 -3.813 5.706 7.389 1.00 0.00 N ATOM 342 CA TYR A 49 -2.587 5.374 6.667 1.00 0.00 C ATOM 343 C TYR A 49 -1.487 6.382 6.996 1.00 0.00 C ATOM 344 O TYR A 49 -1.683 7.588 6.843 1.00 0.00 O ATOM 345 CB TYR A 49 -2.851 5.352 5.156 1.00 0.00 C ATOM 346 CG TYR A 49 -3.988 4.437 4.751 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.990 3.093 5.106 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.064 4.921 4.015 1.00 0.00 C ATOM 349 CE1 TYR A 49 -5.031 2.259 4.741 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.108 4.093 3.648 1.00 0.00 C ATOM 351 CZ TYR A 49 -6.087 2.765 4.012 1.00 0.00 C ATOM 352 OH TYR A 49 -7.128 1.941 3.649 1.00 0.00 O ATOM 0 H TYR A 49 -4.429 6.356 6.900 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.256 4.384 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.074 6.365 4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.943 5.038 4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.165 2.693 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.084 5.961 3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.017 1.217 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.937 4.486 3.078 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.890 2.485 3.358 1.00 0.00 H new ATOM 362 N THR A 50 -0.338 5.889 7.458 1.00 0.00 N ATOM 363 CA THR A 50 0.780 6.769 7.817 1.00 0.00 C ATOM 364 C THR A 50 1.315 7.527 6.589 1.00 0.00 C ATOM 365 O THR A 50 1.237 8.755 6.550 1.00 0.00 O ATOM 366 CB THR A 50 1.914 6.000 8.537 1.00 0.00 C ATOM 367 OG1 THR A 50 1.449 5.539 9.811 1.00 0.00 O ATOM 368 CG2 THR A 50 3.141 6.882 8.731 1.00 0.00 C ATOM 0 H THR A 50 -0.155 4.895 7.593 1.00 0.00 H new ATOM 0 HA THR A 50 0.392 7.505 8.521 1.00 0.00 H new ATOM 0 HB THR A 50 2.198 5.151 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.860 4.766 9.684 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.920 6.314 9.239 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.508 7.213 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.873 7.750 9.333 1.00 0.00 H new ATOM 376 N PRO A 51 1.884 6.837 5.569 1.00 0.00 N ATOM 377 CA PRO A 51 2.360 7.517 4.363 1.00 0.00 C ATOM 378 C PRO A 51 1.191 7.934 3.469 1.00 0.00 C ATOM 379 O PRO A 51 0.669 7.127 2.698 1.00 0.00 O ATOM 380 CB PRO A 51 3.223 6.461 3.672 1.00 0.00 C ATOM 381 CG PRO A 51 2.649 5.161 4.111 1.00 0.00 C ATOM 382 CD PRO A 51 2.142 5.380 5.510 1.00 0.00 C ATOM 0 HA PRO A 51 2.906 8.434 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.185 6.565 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.269 6.551 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.842 4.848 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.403 4.374 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.236 4.805 5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.877 5.074 6.254 1.00 0.00 H new ATOM 390 N GLU A 52 0.775 9.195 3.597 1.00 0.00 N ATOM 391 CA GLU A 52 -0.346 9.735 2.816 1.00 0.00 C ATOM 392 C GLU A 52 -0.191 9.466 1.316 1.00 0.00 C ATOM 393 O GLU A 52 -1.154 9.094 0.643 1.00 0.00 O ATOM 394 CB GLU A 52 -0.499 11.242 3.066 1.00 0.00 C ATOM 395 CG GLU A 52 0.809 12.020 3.002 1.00 0.00 C ATOM 396 CD GLU A 52 1.153 12.699 4.314 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.738 13.860 4.511 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.839 12.066 5.144 1.00 0.00 O ATOM 0 H GLU A 52 1.198 9.867 4.237 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.246 9.219 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.190 11.653 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.951 11.393 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.617 11.342 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.741 12.772 2.216 1.00 0.00 H new ATOM 405 N LEU A 53 1.018 9.659 0.798 1.00 0.00 N ATOM 406 CA LEU A 53 1.290 9.429 -0.616 1.00 0.00 C ATOM 407 C LEU A 53 2.546 8.577 -0.793 1.00 0.00 C ATOM 408 O LEU A 53 3.636 8.977 -0.387 1.00 0.00 O ATOM 409 CB LEU A 53 1.453 10.757 -1.371 1.00 0.00 C ATOM 410 CG LEU A 53 1.162 12.025 -0.567 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.021 13.176 -1.064 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.313 12.392 -0.659 1.00 0.00 C ATOM 0 H LEU A 53 1.825 9.974 1.337 1.00 0.00 H new ATOM 0 HA LEU A 53 0.437 8.894 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.474 10.815 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.794 10.742 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 53 1.406 11.831 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.802 14.071 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.074 12.919 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.804 13.365 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.500 13.297 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.580 12.566 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.916 11.576 -0.261 1.00 0.00 H new ATOM 424 N ILE A 54 2.388 7.403 -1.397 1.00 0.00 N ATOM 425 CA ILE A 54 3.521 6.505 -1.628 1.00 0.00 C ATOM 426 C ILE A 54 4.052 6.643 -3.054 1.00 0.00 C ATOM 427 O ILE A 54 3.305 6.518 -4.024 1.00 0.00 O ATOM 428 CB ILE A 54 3.157 5.024 -1.364 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.776 4.684 -1.928 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.213 4.722 0.126 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.399 3.227 -1.777 1.00 0.00 C ATOM 0 H ILE A 54 1.493 7.050 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 54 4.295 6.801 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 54 3.890 4.401 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.028 5.298 -1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.750 4.949 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.955 3.677 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.220 4.912 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.505 5.361 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.408 3.062 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.125 2.607 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.392 2.961 -0.720 1.00 0.00 H new ATOM 443 N VAL A 55 5.345 6.912 -3.175 1.00 0.00 N ATOM 444 CA VAL A 55 5.969 7.071 -4.487 1.00 0.00 C ATOM 445 C VAL A 55 6.680 5.789 -4.927 1.00 0.00 C ATOM 446 O VAL A 55 7.515 5.244 -4.200 1.00 0.00 O ATOM 447 CB VAL A 55 6.967 8.250 -4.497 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.625 8.396 -5.862 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.268 9.542 -4.102 1.00 0.00 C ATOM 0 H VAL A 55 5.982 7.025 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 55 5.168 7.286 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 55 7.748 8.039 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.323 9.233 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.164 7.480 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.860 8.579 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.986 10.362 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.465 9.752 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.852 9.439 -3.100 1.00 0.00 H new ATOM 459 N LEU A 56 6.339 5.319 -6.125 1.00 0.00 N ATOM 460 CA LEU A 56 6.928 4.099 -6.680 1.00 0.00 C ATOM 461 C LEU A 56 7.378 4.303 -8.130 1.00 0.00 C ATOM 462 O LEU A 56 7.095 5.332 -8.745 1.00 0.00 O ATOM 463 CB LEU A 56 5.915 2.951 -6.614 1.00 0.00 C ATOM 464 CG LEU A 56 5.441 2.573 -5.209 1.00 0.00 C ATOM 465 CD1 LEU A 56 3.988 2.131 -5.236 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.320 1.479 -4.630 1.00 0.00 C ATOM 0 H LEU A 56 5.654 5.766 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 56 7.805 3.851 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.045 3.222 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.359 2.070 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 56 5.519 3.453 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.669 1.866 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.367 2.945 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.883 1.264 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.970 1.222 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.272 0.598 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.350 1.831 -4.574 1.00 0.00 H new ATOM 478 N LYS A 57 8.084 3.312 -8.670 1.00 0.00 N ATOM 479 CA LYS A 57 8.565 3.372 -10.051 1.00 0.00 C ATOM 480 C LYS A 57 7.586 2.666 -10.992 1.00 0.00 C ATOM 481 O LYS A 57 6.661 1.992 -10.542 1.00 0.00 O ATOM 482 CB LYS A 57 9.947 2.727 -10.152 1.00 0.00 C ATOM 483 CG LYS A 57 10.990 3.604 -10.825 1.00 0.00 C ATOM 484 CD LYS A 57 12.401 3.110 -10.539 1.00 0.00 C ATOM 485 CE LYS A 57 12.657 1.744 -11.164 1.00 0.00 C ATOM 486 NZ LYS A 57 12.964 0.708 -10.138 1.00 0.00 N ATOM 0 H LYS A 57 8.336 2.457 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 57 8.638 4.418 -10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.292 2.473 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.861 1.792 -10.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.818 3.615 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.885 4.631 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.124 3.828 -10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.555 3.052 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.782 1.438 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.488 1.817 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.767 -0.236 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.967 0.770 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.372 0.866 -9.297 1.00 0.00 H new ATOM 500 N LYS A 58 7.788 2.817 -12.298 1.00 0.00 N ATOM 501 CA LYS A 58 6.903 2.190 -13.279 1.00 0.00 C ATOM 502 C LYS A 58 7.530 0.936 -13.895 1.00 0.00 C ATOM 503 O LYS A 58 8.748 0.854 -14.059 1.00 0.00 O ATOM 504 CB LYS A 58 6.536 3.184 -14.384 1.00 0.00 C ATOM 505 CG LYS A 58 5.371 2.718 -15.243 1.00 0.00 C ATOM 506 CD LYS A 58 5.083 3.681 -16.382 1.00 0.00 C ATOM 507 CE LYS A 58 5.632 3.167 -17.705 1.00 0.00 C ATOM 508 NZ LYS A 58 4.548 2.701 -18.616 1.00 0.00 N ATOM 0 H LYS A 58 8.550 3.363 -12.701 1.00 0.00 H new ATOM 0 HA LYS A 58 5.999 1.888 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.285 4.144 -13.932 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.406 3.348 -15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.592 1.731 -15.650 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.481 2.615 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.007 3.831 -16.468 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.524 4.652 -16.158 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.201 3.958 -18.193 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.324 2.347 -17.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.966 2.191 -19.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.908 2.065 -18.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.012 3.521 -18.966 1.00 0.00 H new ATOM 522 N SER A 59 6.671 -0.038 -14.221 1.00 0.00 N ATOM 523 CA SER A 59 7.085 -1.314 -14.828 1.00 0.00 C ATOM 524 C SER A 59 7.949 -2.141 -13.873 1.00 0.00 C ATOM 525 O SER A 59 8.679 -3.041 -14.294 1.00 0.00 O ATOM 526 CB SER A 59 7.832 -1.074 -16.148 1.00 0.00 C ATOM 527 OG SER A 59 8.179 -2.299 -16.769 1.00 0.00 O ATOM 0 H SER A 59 5.665 0.035 -14.071 1.00 0.00 H new ATOM 0 HA SER A 59 6.178 -1.882 -15.036 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.208 -0.486 -16.821 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.733 -0.491 -15.958 1.00 0.00 H new ATOM 0 HG SER A 59 8.525 -2.921 -16.095 1.00 0.00 H new ATOM 533 N VAL A 60 7.851 -1.840 -12.583 1.00 0.00 N ATOM 534 CA VAL A 60 8.621 -2.548 -11.568 1.00 0.00 C ATOM 535 C VAL A 60 7.699 -3.156 -10.503 1.00 0.00 C ATOM 536 O VAL A 60 6.731 -2.524 -10.076 1.00 0.00 O ATOM 537 CB VAL A 60 9.655 -1.599 -10.904 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.980 -0.621 -9.954 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.737 -2.380 -10.174 1.00 0.00 C ATOM 0 H VAL A 60 7.244 -1.108 -12.215 1.00 0.00 H new ATOM 0 HA VAL A 60 9.157 -3.359 -12.060 1.00 0.00 H new ATOM 0 HB VAL A 60 10.126 -1.029 -11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.732 0.029 -9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.260 -0.016 -10.505 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.464 -1.174 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.444 -1.685 -9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.281 -2.993 -9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.262 -3.022 -10.881 1.00 0.00 H new ATOM 549 N PRO A 61 7.953 -4.413 -10.093 1.00 0.00 N ATOM 550 CA PRO A 61 7.150 -5.069 -9.056 1.00 0.00 C ATOM 551 C PRO A 61 7.289 -4.358 -7.709 1.00 0.00 C ATOM 552 O PRO A 61 8.393 -4.191 -7.194 1.00 0.00 O ATOM 553 CB PRO A 61 7.729 -6.488 -8.984 1.00 0.00 C ATOM 554 CG PRO A 61 9.089 -6.387 -9.589 1.00 0.00 C ATOM 555 CD PRO A 61 9.007 -5.296 -10.619 1.00 0.00 C ATOM 0 HA PRO A 61 6.085 -5.056 -9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.782 -6.840 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.106 -7.196 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.836 -6.152 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.384 -7.332 -10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.956 -4.771 -10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.749 -5.689 -11.602 1.00 0.00 H new ATOM 563 N ALA A 62 6.171 -3.921 -7.150 1.00 0.00 N ATOM 564 CA ALA A 62 6.196 -3.220 -5.872 1.00 0.00 C ATOM 565 C ALA A 62 5.274 -3.880 -4.852 1.00 0.00 C ATOM 566 O ALA A 62 4.159 -4.289 -5.176 1.00 0.00 O ATOM 567 CB ALA A 62 5.815 -1.763 -6.073 1.00 0.00 C ATOM 0 H ALA A 62 5.242 -4.037 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 62 7.210 -3.273 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.836 -1.246 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.524 -1.292 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.812 -1.704 -6.495 1.00 0.00 H new ATOM 573 N ARG A 63 5.745 -3.979 -3.615 1.00 0.00 N ATOM 574 CA ARG A 63 4.957 -4.590 -2.556 1.00 0.00 C ATOM 575 C ARG A 63 4.708 -3.608 -1.406 1.00 0.00 C ATOM 576 O ARG A 63 5.629 -2.978 -0.880 1.00 0.00 O ATOM 577 CB ARG A 63 5.629 -5.877 -2.059 1.00 0.00 C ATOM 578 CG ARG A 63 6.870 -5.661 -1.211 1.00 0.00 C ATOM 579 CD ARG A 63 7.772 -6.885 -1.224 1.00 0.00 C ATOM 580 NE ARG A 63 8.730 -6.869 -0.118 1.00 0.00 N ATOM 581 CZ ARG A 63 9.051 -7.930 0.602 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.528 -9.104 0.336 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.901 -7.816 1.592 1.00 0.00 N ATOM 0 H ARG A 63 6.664 -3.646 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 63 3.983 -4.855 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.904 -6.448 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.897 -6.487 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.421 -4.797 -1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.577 -5.434 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.162 -7.786 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.311 -6.929 -2.170 1.00 0.00 H new ATOM 0 HE ARG A 63 9.179 -5.982 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.866 -9.205 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.783 -9.915 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.315 -6.909 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.149 -8.634 2.148 1.00 0.00 H new ATOM 597 N ILE A 64 3.441 -3.466 -1.045 1.00 0.00 N ATOM 598 CA ILE A 64 3.038 -2.571 0.038 1.00 0.00 C ATOM 599 C ILE A 64 2.812 -3.356 1.329 1.00 0.00 C ATOM 600 O ILE A 64 1.901 -4.179 1.411 1.00 0.00 O ATOM 601 CB ILE A 64 1.748 -1.795 -0.317 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.722 -1.423 -1.808 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.621 -0.551 0.550 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.632 -0.265 -2.175 1.00 0.00 C ATOM 0 H ILE A 64 2.667 -3.961 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 64 3.847 -1.855 0.182 1.00 0.00 H new ATOM 0 HB ILE A 64 0.895 -2.444 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.009 -2.296 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.700 -1.171 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.708 -0.016 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.582 -0.842 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.481 0.097 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.555 -0.066 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.333 0.623 -1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.662 -0.519 -1.927 1.00 0.00 H new ATOM 616 N VAL A 65 3.642 -3.099 2.336 1.00 0.00 N ATOM 617 CA VAL A 65 3.536 -3.798 3.618 1.00 0.00 C ATOM 618 C VAL A 65 2.649 -3.037 4.600 1.00 0.00 C ATOM 619 O VAL A 65 3.022 -1.973 5.087 1.00 0.00 O ATOM 620 CB VAL A 65 4.923 -4.009 4.266 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.854 -5.076 5.350 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.961 -4.377 3.217 1.00 0.00 C ATOM 0 H VAL A 65 4.396 -2.413 2.292 1.00 0.00 H new ATOM 0 HA VAL A 65 3.087 -4.767 3.402 1.00 0.00 H new ATOM 0 HB VAL A 65 5.226 -3.070 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.841 -5.209 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.149 -4.766 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.523 -6.018 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.929 -4.520 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.663 -5.299 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.036 -3.575 2.482 1.00 0.00 H new ATOM 632 N PHE A 66 1.478 -3.587 4.895 1.00 0.00 N ATOM 633 CA PHE A 66 0.548 -2.951 5.824 1.00 0.00 C ATOM 634 C PHE A 66 0.680 -3.539 7.229 1.00 0.00 C ATOM 635 O PHE A 66 0.487 -4.738 7.436 1.00 0.00 O ATOM 636 CB PHE A 66 -0.891 -3.104 5.328 1.00 0.00 C ATOM 637 CG PHE A 66 -1.186 -2.311 4.086 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.367 -0.939 4.152 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.280 -2.936 2.853 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.635 -0.206 3.013 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.546 -2.209 1.710 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.725 -0.841 1.792 1.00 0.00 C ATOM 0 H PHE A 66 1.149 -4.471 4.506 1.00 0.00 H new ATOM 0 HA PHE A 66 0.798 -1.891 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.089 -4.158 5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.574 -2.793 6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.298 -0.437 5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.143 -4.005 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.774 0.863 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.614 -2.708 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.935 -0.269 0.900 1.00 0.00 H new ATOM 652 N ASP A 67 1.017 -2.683 8.188 1.00 0.00 N ATOM 653 CA ASP A 67 1.173 -3.103 9.579 1.00 0.00 C ATOM 654 C ASP A 67 -0.036 -2.663 10.409 1.00 0.00 C ATOM 655 O ASP A 67 -0.169 -1.486 10.743 1.00 0.00 O ATOM 656 CB ASP A 67 2.459 -2.504 10.162 1.00 0.00 C ATOM 657 CG ASP A 67 3.071 -3.367 11.250 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.312 -3.888 12.094 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.312 -3.527 11.256 1.00 0.00 O ATOM 0 H ASP A 67 1.188 -1.690 8.028 1.00 0.00 H new ATOM 0 HA ASP A 67 1.238 -4.191 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.186 -2.368 9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.242 -1.516 10.568 1.00 0.00 H new ATOM 664 N ARG A 68 -0.907 -3.612 10.746 1.00 0.00 N ATOM 665 CA ARG A 68 -2.106 -3.303 11.528 1.00 0.00 C ATOM 666 C ARG A 68 -1.780 -3.125 13.013 1.00 0.00 C ATOM 667 O ARG A 68 -1.671 -4.097 13.763 1.00 0.00 O ATOM 668 CB ARG A 68 -3.165 -4.396 11.349 1.00 0.00 C ATOM 669 CG ARG A 68 -4.530 -4.011 11.903 1.00 0.00 C ATOM 670 CD ARG A 68 -5.548 -3.800 10.793 1.00 0.00 C ATOM 671 NE ARG A 68 -6.876 -3.483 11.317 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.837 -4.377 11.498 1.00 0.00 C ATOM 673 NH1 ARG A 68 -7.647 -5.640 11.204 1.00 0.00 N ATOM 674 NH2 ARG A 68 -9.005 -4.003 11.954 1.00 0.00 N ATOM 0 H ARG A 68 -0.808 -4.595 10.493 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.504 -2.359 11.155 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.263 -4.626 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.824 -5.306 11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.883 -4.792 12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.440 -3.098 12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.213 -2.992 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.606 -4.699 10.179 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.075 -2.512 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.749 -5.947 10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.397 -6.316 11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.177 -3.021 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.743 -4.693 12.092 1.00 0.00 H new ATOM 688 N LYS A 69 -1.633 -1.870 13.421 1.00 0.00 N ATOM 689 CA LYS A 69 -1.333 -1.533 14.808 1.00 0.00 C ATOM 690 C LYS A 69 -2.625 -1.248 15.580 1.00 0.00 C ATOM 691 O LYS A 69 -2.733 -1.534 16.775 1.00 0.00 O ATOM 692 CB LYS A 69 -0.391 -0.320 14.854 1.00 0.00 C ATOM 693 CG LYS A 69 -0.343 0.394 16.198 1.00 0.00 C ATOM 694 CD LYS A 69 0.379 -0.437 17.246 1.00 0.00 C ATOM 695 CE LYS A 69 -0.104 -0.108 18.649 1.00 0.00 C ATOM 696 NZ LYS A 69 -1.324 -0.883 19.012 1.00 0.00 N ATOM 0 H LYS A 69 -1.718 -1.062 12.805 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.837 -2.380 15.282 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.616 -0.648 14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.700 0.393 14.089 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.161 1.354 16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.358 0.605 16.535 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.220 -1.496 17.045 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.452 -0.257 17.178 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.689 -0.322 19.366 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.317 0.959 18.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.748 -0.480 19.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.010 -0.835 18.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.066 -1.875 19.186 1.00 0.00 H new ATOM 710 N ASP A 70 -3.609 -0.690 14.883 1.00 0.00 N ATOM 711 CA ASP A 70 -4.896 -0.372 15.493 1.00 0.00 C ATOM 712 C ASP A 70 -5.999 -1.279 14.937 1.00 0.00 C ATOM 713 O ASP A 70 -6.133 -1.432 13.725 1.00 0.00 O ATOM 714 CB ASP A 70 -5.242 1.101 15.246 1.00 0.00 C ATOM 715 CG ASP A 70 -6.100 1.692 16.348 1.00 0.00 C ATOM 716 OD1 ASP A 70 -5.530 2.224 17.323 1.00 0.00 O ATOM 717 OD2 ASP A 70 -7.344 1.621 16.233 1.00 0.00 O ATOM 0 H ASP A 70 -3.540 -0.448 13.894 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.824 -0.544 16.567 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.321 1.677 15.160 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.766 1.193 14.294 1.00 0.00 H new ATOM 722 N PRO A 71 -6.818 -1.876 15.826 1.00 0.00 N ATOM 723 CA PRO A 71 -7.911 -2.777 15.431 1.00 0.00 C ATOM 724 C PRO A 71 -9.165 -2.029 14.969 1.00 0.00 C ATOM 725 O PRO A 71 -10.289 -2.429 15.274 1.00 0.00 O ATOM 726 CB PRO A 71 -8.192 -3.539 16.724 1.00 0.00 C ATOM 727 CG PRO A 71 -7.900 -2.549 17.797 1.00 0.00 C ATOM 728 CD PRO A 71 -6.748 -1.716 17.291 1.00 0.00 C ATOM 0 HA PRO A 71 -7.640 -3.405 14.582 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.226 -3.882 16.768 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.559 -4.422 16.813 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.771 -1.927 18.002 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.640 -3.050 18.730 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.850 -0.671 17.585 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.795 -2.067 17.687 1.00 0.00 H new ATOM 736 N SER A 72 -8.964 -0.942 14.234 1.00 0.00 N ATOM 737 CA SER A 72 -10.071 -0.134 13.724 1.00 0.00 C ATOM 738 C SER A 72 -10.868 -0.896 12.663 1.00 0.00 C ATOM 739 O SER A 72 -10.287 -1.518 11.773 1.00 0.00 O ATOM 740 CB SER A 72 -9.541 1.174 13.129 1.00 0.00 C ATOM 741 OG SER A 72 -8.282 1.522 13.685 1.00 0.00 O ATOM 0 H SER A 72 -8.040 -0.596 13.975 1.00 0.00 H new ATOM 0 HA SER A 72 -10.734 0.090 14.559 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.448 1.072 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.256 1.976 13.313 1.00 0.00 H new ATOM 0 HG SER A 72 -8.330 1.469 14.662 1.00 0.00 H new ATOM 747 N PRO A 73 -12.214 -0.843 12.732 1.00 0.00 N ATOM 748 CA PRO A 73 -13.090 -1.540 11.773 1.00 0.00 C ATOM 749 C PRO A 73 -12.949 -1.010 10.345 1.00 0.00 C ATOM 750 O PRO A 73 -13.060 -1.763 9.380 1.00 0.00 O ATOM 751 CB PRO A 73 -14.500 -1.262 12.307 1.00 0.00 C ATOM 752 CG PRO A 73 -14.359 -0.028 13.132 1.00 0.00 C ATOM 753 CD PRO A 73 -12.989 -0.102 13.744 1.00 0.00 C ATOM 0 HA PRO A 73 -12.843 -2.599 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.209 -1.114 11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.869 -2.097 12.903 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.466 0.867 12.519 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.130 0.019 13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.573 0.889 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.002 -0.621 14.702 1.00 0.00 H new ATOM 761 N CYS A 74 -12.686 0.290 10.220 1.00 0.00 N ATOM 762 CA CYS A 74 -12.521 0.927 8.912 1.00 0.00 C ATOM 763 C CYS A 74 -11.145 0.626 8.309 1.00 0.00 C ATOM 764 O CYS A 74 -10.837 1.056 7.201 1.00 0.00 O ATOM 765 CB CYS A 74 -12.708 2.441 9.034 1.00 0.00 C ATOM 766 SG CYS A 74 -12.273 3.111 10.657 1.00 0.00 S ATOM 0 H CYS A 74 -12.582 0.926 11.011 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.281 0.517 8.248 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.100 2.934 8.275 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.748 2.686 8.818 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.115 2.675 11.546 1.00 0.00 H new ATOM 772 N LEU A 75 -10.321 -0.106 9.053 1.00 0.00 N ATOM 773 CA LEU A 75 -8.979 -0.459 8.597 1.00 0.00 C ATOM 774 C LEU A 75 -8.805 -1.978 8.489 1.00 0.00 C ATOM 775 O LEU A 75 -7.697 -2.467 8.272 1.00 0.00 O ATOM 776 CB LEU A 75 -7.941 0.118 9.560 1.00 0.00 C ATOM 777 CG LEU A 75 -7.620 1.601 9.357 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.840 2.138 10.544 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.842 1.808 8.066 1.00 0.00 C ATOM 0 H LEU A 75 -10.559 -0.467 9.977 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.835 -0.035 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.296 -0.024 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.019 -0.454 9.461 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.558 2.152 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.618 3.194 10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.433 2.023 11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.908 1.583 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.623 2.868 7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.908 1.247 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.437 1.457 7.223 1.00 0.00 H new ATOM 791 N ASP A 76 -9.907 -2.714 8.630 1.00 0.00 N ATOM 792 CA ASP A 76 -9.874 -4.178 8.562 1.00 0.00 C ATOM 793 C ASP A 76 -9.561 -4.681 7.149 1.00 0.00 C ATOM 794 O ASP A 76 -8.805 -5.639 6.973 1.00 0.00 O ATOM 795 CB ASP A 76 -11.213 -4.751 9.034 1.00 0.00 C ATOM 796 CG ASP A 76 -11.052 -6.037 9.822 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.833 -5.959 11.052 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.149 -7.121 9.213 1.00 0.00 O ATOM 0 H ASP A 76 -10.835 -2.322 8.792 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.073 -4.520 9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.723 -4.012 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.850 -4.937 8.169 1.00 0.00 H new ATOM 803 N GLN A 77 -10.149 -4.040 6.143 1.00 0.00 N ATOM 804 CA GLN A 77 -9.932 -4.440 4.756 1.00 0.00 C ATOM 805 C GLN A 77 -9.370 -3.291 3.921 1.00 0.00 C ATOM 806 O GLN A 77 -9.647 -2.121 4.184 1.00 0.00 O ATOM 807 CB GLN A 77 -11.242 -4.934 4.138 1.00 0.00 C ATOM 808 CG GLN A 77 -11.455 -6.435 4.275 1.00 0.00 C ATOM 809 CD GLN A 77 -12.650 -6.931 3.482 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.653 -6.238 3.344 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.551 -8.141 2.956 1.00 0.00 N ATOM 0 H GLN A 77 -10.777 -3.245 6.261 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.201 -5.248 4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.075 -4.413 4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.258 -4.669 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.559 -6.957 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.594 -6.684 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.701 -8.688 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.325 -8.527 2.415 1.00 0.00 H new ATOM 820 N ILE A 78 -8.576 -3.638 2.915 1.00 0.00 N ATOM 821 CA ILE A 78 -7.983 -2.644 2.026 1.00 0.00 C ATOM 822 C ILE A 78 -8.188 -3.042 0.563 1.00 0.00 C ATOM 823 O ILE A 78 -7.907 -4.175 0.165 1.00 0.00 O ATOM 824 CB ILE A 78 -6.472 -2.441 2.309 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.868 -1.456 1.304 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.722 -3.767 2.272 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.184 -0.275 1.953 1.00 0.00 C ATOM 0 H ILE A 78 -8.327 -4.602 2.694 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.490 -1.698 2.218 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.370 -2.025 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.148 -1.984 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.657 -1.092 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.665 -3.593 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.130 -4.437 3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.833 -4.221 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.780 0.380 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.905 0.276 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.373 -0.629 2.590 1.00 0.00 H new ATOM 839 N VAL A 79 -8.700 -2.115 -0.236 1.00 0.00 N ATOM 840 CA VAL A 79 -8.938 -2.389 -1.647 1.00 0.00 C ATOM 841 C VAL A 79 -8.405 -1.262 -2.533 1.00 0.00 C ATOM 842 O VAL A 79 -8.640 -0.081 -2.280 1.00 0.00 O ATOM 843 CB VAL A 79 -10.443 -2.631 -1.935 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.313 -1.661 -1.152 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.746 -2.542 -3.427 1.00 0.00 C ATOM 0 H VAL A 79 -8.957 -1.175 0.065 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.394 -3.302 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.679 -3.643 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.363 -1.854 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.137 -1.794 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -11.064 -0.638 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.809 -2.717 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.479 -1.551 -3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.167 -3.295 -3.961 1.00 0.00 H new ATOM 855 N PHE A 80 -7.659 -1.652 -3.559 1.00 0.00 N ATOM 856 CA PHE A 80 -7.097 -0.711 -4.517 1.00 0.00 C ATOM 857 C PHE A 80 -8.054 -0.558 -5.703 1.00 0.00 C ATOM 858 O PHE A 80 -8.089 -1.413 -6.588 1.00 0.00 O ATOM 859 CB PHE A 80 -5.733 -1.216 -5.005 1.00 0.00 C ATOM 860 CG PHE A 80 -4.585 -0.875 -4.095 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.431 -1.517 -2.876 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.653 0.083 -4.465 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.372 -1.211 -2.043 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.593 0.395 -3.636 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.452 -0.252 -2.423 1.00 0.00 C ATOM 0 H PHE A 80 -7.428 -2.627 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.962 0.258 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.780 -2.299 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.536 -0.798 -5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.148 -2.266 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.757 0.591 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.263 -1.720 -1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.875 1.144 -3.936 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.624 -0.009 -1.773 1.00 0.00 H new ATOM 875 N PRO A 81 -8.832 0.542 -5.752 1.00 0.00 N ATOM 876 CA PRO A 81 -9.809 0.775 -6.826 1.00 0.00 C ATOM 877 C PRO A 81 -9.170 1.016 -8.196 1.00 0.00 C ATOM 878 O PRO A 81 -9.841 0.941 -9.223 1.00 0.00 O ATOM 879 CB PRO A 81 -10.564 2.023 -6.360 1.00 0.00 C ATOM 880 CG PRO A 81 -9.627 2.719 -5.436 1.00 0.00 C ATOM 881 CD PRO A 81 -8.814 1.643 -4.772 1.00 0.00 C ATOM 0 HA PRO A 81 -10.442 -0.100 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.832 2.660 -7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.492 1.757 -5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.985 3.411 -5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.173 3.306 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.798 1.979 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.251 1.340 -3.820 1.00 0.00 H new ATOM 889 N ASP A 82 -7.873 1.303 -8.209 1.00 0.00 N ATOM 890 CA ASP A 82 -7.164 1.551 -9.459 1.00 0.00 C ATOM 891 C ASP A 82 -6.372 0.320 -9.923 1.00 0.00 C ATOM 892 O ASP A 82 -5.860 0.293 -11.041 1.00 0.00 O ATOM 893 CB ASP A 82 -6.223 2.746 -9.299 1.00 0.00 C ATOM 894 CG ASP A 82 -6.969 4.059 -9.160 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.901 4.301 -9.956 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.618 4.844 -8.254 1.00 0.00 O ATOM 0 H ASP A 82 -7.293 1.370 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.910 1.771 -10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.595 2.594 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.559 2.799 -10.161 1.00 0.00 H new ATOM 901 N PHE A 83 -6.273 -0.695 -9.063 1.00 0.00 N ATOM 902 CA PHE A 83 -5.534 -1.913 -9.406 1.00 0.00 C ATOM 903 C PHE A 83 -6.432 -3.156 -9.380 1.00 0.00 C ATOM 904 O PHE A 83 -6.112 -4.171 -9.998 1.00 0.00 O ATOM 905 CB PHE A 83 -4.354 -2.098 -8.446 1.00 0.00 C ATOM 906 CG PHE A 83 -3.188 -1.200 -8.750 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.154 0.101 -8.273 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.128 -1.655 -9.519 1.00 0.00 C ATOM 909 CE1 PHE A 83 -2.088 0.929 -8.557 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.057 -0.830 -9.803 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.039 0.465 -9.322 1.00 0.00 C ATOM 0 H PHE A 83 -6.691 -0.700 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.163 -1.797 -10.424 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.692 -1.909 -7.427 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.023 -3.136 -8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.972 0.471 -7.672 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.140 -2.665 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.075 1.941 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.235 -1.197 -10.400 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.204 1.113 -9.545 1.00 0.00 H new ATOM 921 N GLY A 84 -7.551 -3.072 -8.664 1.00 0.00 N ATOM 922 CA GLY A 84 -8.467 -4.203 -8.569 1.00 0.00 C ATOM 923 C GLY A 84 -8.009 -5.224 -7.541 1.00 0.00 C ATOM 924 O GLY A 84 -8.313 -6.413 -7.650 1.00 0.00 O ATOM 0 H GLY A 84 -7.842 -2.242 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.461 -3.843 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.552 -4.683 -9.544 1.00 0.00 H new ATOM 928 N VAL A 85 -7.287 -4.750 -6.532 1.00 0.00 N ATOM 929 CA VAL A 85 -6.760 -5.616 -5.482 1.00 0.00 C ATOM 930 C VAL A 85 -7.479 -5.392 -4.148 1.00 0.00 C ATOM 931 O VAL A 85 -7.433 -4.303 -3.585 1.00 0.00 O ATOM 932 CB VAL A 85 -5.244 -5.376 -5.298 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.722 -6.057 -4.043 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.478 -5.852 -6.523 1.00 0.00 C ATOM 0 H VAL A 85 -7.052 -3.764 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.933 -6.646 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.087 -4.304 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.653 -5.868 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.243 -5.661 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.896 -7.131 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.412 -5.676 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.653 -6.918 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.819 -5.304 -7.401 1.00 0.00 H new ATOM 944 N HIS A 86 -8.146 -6.432 -3.654 1.00 0.00 N ATOM 945 CA HIS A 86 -8.868 -6.354 -2.379 1.00 0.00 C ATOM 946 C HIS A 86 -8.322 -7.390 -1.391 1.00 0.00 C ATOM 947 O HIS A 86 -8.365 -8.594 -1.654 1.00 0.00 O ATOM 948 CB HIS A 86 -10.379 -6.562 -2.586 1.00 0.00 C ATOM 949 CG HIS A 86 -10.734 -7.598 -3.617 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.258 -8.893 -3.583 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.529 -7.523 -4.711 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.743 -9.568 -4.608 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.516 -8.760 -5.308 1.00 0.00 N ATOM 0 H HIS A 86 -8.204 -7.340 -4.114 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.714 -5.357 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.827 -6.848 -1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.827 -5.612 -2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.628 -9.270 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.072 -6.653 -5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.542 -10.604 -4.835 1.00 0.00 H new ATOM 961 N ALA A 87 -7.811 -6.923 -0.253 1.00 0.00 N ATOM 962 CA ALA A 87 -7.248 -7.821 0.754 1.00 0.00 C ATOM 963 C ALA A 87 -7.654 -7.428 2.176 1.00 0.00 C ATOM 964 O ALA A 87 -8.186 -6.343 2.410 1.00 0.00 O ATOM 965 CB ALA A 87 -5.729 -7.848 0.632 1.00 0.00 C ATOM 0 H ALA A 87 -7.775 -5.934 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.652 -8.816 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.315 -8.519 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.450 -8.201 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.334 -6.844 0.785 1.00 0.00 H new ATOM 971 N ASN A 88 -7.395 -8.327 3.122 1.00 0.00 N ATOM 972 CA ASN A 88 -7.718 -8.088 4.530 1.00 0.00 C ATOM 973 C ASN A 88 -6.437 -7.977 5.357 1.00 0.00 C ATOM 974 O ASN A 88 -5.465 -8.686 5.103 1.00 0.00 O ATOM 975 CB ASN A 88 -8.600 -9.213 5.088 1.00 0.00 C ATOM 976 CG ASN A 88 -9.275 -10.034 4.005 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.248 -9.598 3.392 1.00 0.00 O ATOM 978 ND2 ASN A 88 -8.766 -11.230 3.763 1.00 0.00 N ATOM 0 H ASN A 88 -6.961 -9.232 2.940 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.269 -7.150 4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.990 -9.871 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.362 -8.781 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.181 -11.826 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.958 -11.557 4.293 1.00 0.00 H new ATOM 985 N LEU A 89 -6.441 -7.093 6.350 1.00 0.00 N ATOM 986 CA LEU A 89 -5.263 -6.898 7.194 1.00 0.00 C ATOM 987 C LEU A 89 -5.432 -7.567 8.561 1.00 0.00 C ATOM 988 O LEU A 89 -6.388 -7.295 9.287 1.00 0.00 O ATOM 989 CB LEU A 89 -4.972 -5.405 7.375 1.00 0.00 C ATOM 990 CG LEU A 89 -4.963 -4.582 6.085 1.00 0.00 C ATOM 991 CD1 LEU A 89 -4.793 -3.103 6.396 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.859 -5.062 5.154 1.00 0.00 C ATOM 0 H LEU A 89 -7.238 -6.504 6.590 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.419 -7.368 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.718 -4.985 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.003 -5.296 7.863 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.921 -4.719 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.789 -2.534 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.618 -2.766 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.850 -2.948 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.867 -4.466 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.894 -4.955 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.024 -6.110 4.904 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.489 -8.453 8.928 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.525 -9.165 10.208 1.00 0.00 C ATOM 1006 C PRO A 90 -4.036 -8.304 11.376 1.00 0.00 C ATOM 1007 O PRO A 90 -2.970 -7.692 11.309 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.587 -10.348 9.970 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.612 -9.872 8.943 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.316 -8.825 8.119 1.00 0.00 C ATOM 0 HA PRO A 90 -5.537 -9.455 10.490 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.080 -10.640 10.890 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.136 -11.221 9.618 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.724 -9.456 9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.280 -10.698 8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.672 -7.965 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.612 -9.217 7.146 1.00 0.00 H new ATOM 1018 N MET A 91 -4.821 -8.269 12.449 1.00 0.00 N ATOM 1019 CA MET A 91 -4.477 -7.479 13.631 1.00 0.00 C ATOM 1020 C MET A 91 -3.246 -8.037 14.347 1.00 0.00 C ATOM 1021 O MET A 91 -3.202 -9.211 14.717 1.00 0.00 O ATOM 1022 CB MET A 91 -5.668 -7.423 14.592 1.00 0.00 C ATOM 1023 CG MET A 91 -5.388 -6.646 15.867 1.00 0.00 C ATOM 1024 SD MET A 91 -4.810 -4.967 15.551 1.00 0.00 S ATOM 1025 CE MET A 91 -3.868 -4.654 17.042 1.00 0.00 C ATOM 0 H MET A 91 -5.701 -8.779 12.526 1.00 0.00 H new ATOM 0 HA MET A 91 -4.235 -6.470 13.297 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.516 -6.969 14.079 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.961 -8.440 14.854 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.296 -6.605 16.469 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.640 -7.178 16.454 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.067 -3.641 17.392 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.159 -5.368 17.813 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.804 -4.762 16.830 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.244 -7.178 14.534 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.018 -7.586 15.202 1.00 0.00 C ATOM 1037 C GLY A 92 -0.031 -8.267 14.267 1.00 0.00 C ATOM 1038 O GLY A 92 0.971 -8.827 14.715 1.00 0.00 O ATOM 0 H GLY A 92 -2.261 -6.203 14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.544 -6.711 15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.264 -8.265 16.019 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.311 -8.223 12.968 1.00 0.00 N ATOM 1043 CA GLU A 93 0.555 -8.849 11.972 1.00 0.00 C ATOM 1044 C GLU A 93 0.763 -7.934 10.763 1.00 0.00 C ATOM 1045 O GLU A 93 0.188 -6.845 10.687 1.00 0.00 O ATOM 1046 CB GLU A 93 -0.033 -10.190 11.522 1.00 0.00 C ATOM 1047 CG GLU A 93 -0.128 -11.226 12.633 1.00 0.00 C ATOM 1048 CD GLU A 93 1.177 -11.972 12.861 1.00 0.00 C ATOM 1049 OE1 GLU A 93 2.119 -11.785 12.060 1.00 0.00 O ATOM 1050 OE2 GLU A 93 1.254 -12.744 13.839 1.00 0.00 O ATOM 0 H GLU A 93 -1.132 -7.760 12.579 1.00 0.00 H new ATOM 0 HA GLU A 93 1.526 -9.023 12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.028 -10.020 11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.580 -10.592 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.425 -10.732 13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.912 -11.943 12.388 1.00 0.00 H new ATOM 1057 N GLU A 94 1.593 -8.379 9.823 1.00 0.00 N ATOM 1058 CA GLU A 94 1.880 -7.595 8.622 1.00 0.00 C ATOM 1059 C GLU A 94 1.350 -8.281 7.363 1.00 0.00 C ATOM 1060 O GLU A 94 1.529 -9.485 7.173 1.00 0.00 O ATOM 1061 CB GLU A 94 3.387 -7.370 8.480 1.00 0.00 C ATOM 1062 CG GLU A 94 3.972 -6.427 9.520 1.00 0.00 C ATOM 1063 CD GLU A 94 5.124 -7.046 10.289 1.00 0.00 C ATOM 1064 OE1 GLU A 94 4.866 -7.675 11.337 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.280 -6.908 9.839 1.00 0.00 O ATOM 0 H GLU A 94 2.078 -9.275 9.868 1.00 0.00 H new ATOM 0 HA GLU A 94 1.374 -6.636 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.896 -8.332 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.593 -6.971 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.316 -5.518 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.189 -6.134 10.220 1.00 0.00 H new ATOM 1072 N TYR A 95 0.702 -7.502 6.505 1.00 0.00 N ATOM 1073 CA TYR A 95 0.162 -8.019 5.249 1.00 0.00 C ATOM 1074 C TYR A 95 0.746 -7.245 4.071 1.00 0.00 C ATOM 1075 O TYR A 95 0.642 -6.020 4.011 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.367 -7.924 5.239 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.029 -8.943 4.339 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.285 -10.232 4.788 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.400 -8.615 3.040 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.890 -11.167 3.969 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -3.006 -9.544 2.216 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.248 -10.817 2.685 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.852 -11.743 1.866 1.00 0.00 O ATOM 0 H TYR A 95 0.536 -6.507 6.655 1.00 0.00 H new ATOM 0 HA TYR A 95 0.442 -9.069 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.738 -8.054 6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.659 -6.924 4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.007 -10.509 5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.212 -7.618 2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.081 -12.166 4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.289 -9.274 1.209 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.041 -11.336 0.995 1.00 0.00 H new ATOM 1093 N VAL A 96 1.362 -7.957 3.134 1.00 0.00 N ATOM 1094 CA VAL A 96 1.974 -7.306 1.981 1.00 0.00 C ATOM 1095 C VAL A 96 1.141 -7.470 0.702 1.00 0.00 C ATOM 1096 O VAL A 96 0.595 -8.539 0.420 1.00 0.00 O ATOM 1097 CB VAL A 96 3.424 -7.816 1.758 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.456 -9.132 0.990 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.258 -6.762 1.048 1.00 0.00 C ATOM 0 H VAL A 96 1.451 -8.973 3.148 1.00 0.00 H new ATOM 0 HA VAL A 96 2.009 -6.240 2.206 1.00 0.00 H new ATOM 0 HB VAL A 96 3.856 -8.004 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.490 -9.451 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.911 -9.893 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.990 -8.995 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.271 -7.138 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.811 -6.535 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.292 -5.856 1.653 1.00 0.00 H new ATOM 1109 N VAL A 97 1.022 -6.378 -0.048 1.00 0.00 N ATOM 1110 CA VAL A 97 0.280 -6.371 -1.307 1.00 0.00 C ATOM 1111 C VAL A 97 1.235 -6.153 -2.480 1.00 0.00 C ATOM 1112 O VAL A 97 1.821 -5.079 -2.625 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.813 -5.276 -1.318 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.425 -5.119 -2.706 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.892 -5.593 -0.295 1.00 0.00 C ATOM 0 H VAL A 97 1.434 -5.478 0.197 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.209 -7.340 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.342 -4.330 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.189 -4.342 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.647 -4.840 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.876 -6.062 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.653 -4.813 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.350 -6.553 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.448 -5.641 0.699 1.00 0.00 H new ATOM 1125 N GLU A 98 1.399 -7.179 -3.306 1.00 0.00 N ATOM 1126 CA GLU A 98 2.295 -7.100 -4.459 1.00 0.00 C ATOM 1127 C GLU A 98 1.545 -6.678 -5.725 1.00 0.00 C ATOM 1128 O GLU A 98 0.621 -7.360 -6.168 1.00 0.00 O ATOM 1129 CB GLU A 98 2.986 -8.446 -4.685 1.00 0.00 C ATOM 1130 CG GLU A 98 4.333 -8.560 -3.987 1.00 0.00 C ATOM 1131 CD GLU A 98 4.715 -9.996 -3.676 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.562 -10.859 -4.567 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.171 -10.256 -2.543 1.00 0.00 O ATOM 0 H GLU A 98 0.925 -8.076 -3.201 1.00 0.00 H new ATOM 0 HA GLU A 98 3.046 -6.340 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.334 -9.244 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.126 -8.599 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.102 -8.112 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.306 -7.987 -3.060 1.00 0.00 H new ATOM 1140 N ILE A 99 1.952 -5.550 -6.299 1.00 0.00 N ATOM 1141 CA ILE A 99 1.325 -5.030 -7.516 1.00 0.00 C ATOM 1142 C ILE A 99 2.376 -4.557 -8.521 1.00 0.00 C ATOM 1143 O ILE A 99 3.514 -4.260 -8.157 1.00 0.00 O ATOM 1144 CB ILE A 99 0.357 -3.862 -7.215 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.795 -3.098 -5.960 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.064 -4.380 -7.057 1.00 0.00 C ATOM 1147 CD1 ILE A 99 0.037 -1.808 -5.736 1.00 0.00 C ATOM 0 H ILE A 99 2.715 -4.975 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 99 0.756 -5.855 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 99 0.383 -3.171 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.664 -3.741 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.859 -2.875 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.734 -3.546 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.377 -4.872 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.102 -5.094 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.402 -1.324 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.188 -1.145 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.026 -2.024 -5.629 1.00 0.00 H new ATOM 1159 N THR A 100 1.987 -4.490 -9.789 1.00 0.00 N ATOM 1160 CA THR A 100 2.898 -4.056 -10.845 1.00 0.00 C ATOM 1161 C THR A 100 2.356 -2.831 -11.586 1.00 0.00 C ATOM 1162 O THR A 100 1.539 -2.958 -12.500 1.00 0.00 O ATOM 1163 CB THR A 100 3.160 -5.182 -11.866 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.344 -6.432 -11.187 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.387 -4.876 -12.712 1.00 0.00 C ATOM 0 H THR A 100 1.050 -4.730 -10.112 1.00 0.00 H new ATOM 0 HA THR A 100 3.835 -3.793 -10.354 1.00 0.00 H new ATOM 0 HB THR A 100 2.293 -5.250 -12.523 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.508 -7.140 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.549 -5.686 -13.424 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.232 -3.943 -13.253 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.260 -4.780 -12.066 1.00 0.00 H new ATOM 1173 N PRO A 101 2.807 -1.625 -11.196 1.00 0.00 N ATOM 1174 CA PRO A 101 2.374 -0.370 -11.826 1.00 0.00 C ATOM 1175 C PRO A 101 2.976 -0.181 -13.222 1.00 0.00 C ATOM 1176 O PRO A 101 4.133 0.210 -13.365 1.00 0.00 O ATOM 1177 CB PRO A 101 2.900 0.697 -10.865 1.00 0.00 C ATOM 1178 CG PRO A 101 4.097 0.072 -10.236 1.00 0.00 C ATOM 1179 CD PRO A 101 3.771 -1.389 -10.104 1.00 0.00 C ATOM 0 HA PRO A 101 1.295 -0.336 -11.979 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.162 1.613 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.152 0.963 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.985 0.221 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.305 0.516 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.660 -2.010 -10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.339 -1.618 -9.130 1.00 0.00 H new ATOM 1187 N GLU A 102 2.186 -0.457 -14.254 1.00 0.00 N ATOM 1188 CA GLU A 102 2.659 -0.324 -15.635 1.00 0.00 C ATOM 1189 C GLU A 102 2.280 1.032 -16.241 1.00 0.00 C ATOM 1190 O GLU A 102 2.521 1.283 -17.424 1.00 0.00 O ATOM 1191 CB GLU A 102 2.099 -1.460 -16.493 1.00 0.00 C ATOM 1192 CG GLU A 102 2.531 -2.845 -16.030 1.00 0.00 C ATOM 1193 CD GLU A 102 1.375 -3.825 -15.946 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.212 -3.371 -15.882 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.634 -5.047 -15.944 1.00 0.00 O ATOM 0 H GLU A 102 1.220 -0.773 -14.166 1.00 0.00 H new ATOM 0 HA GLU A 102 3.747 -0.384 -15.619 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.010 -1.407 -16.485 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.418 -1.315 -17.525 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.282 -3.235 -16.717 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.005 -2.765 -15.052 1.00 0.00 H new ATOM 1202 N GLN A 103 1.702 1.908 -15.424 1.00 0.00 N ATOM 1203 CA GLN A 103 1.295 3.233 -15.881 1.00 0.00 C ATOM 1204 C GLN A 103 1.766 4.310 -14.906 1.00 0.00 C ATOM 1205 O GLN A 103 1.618 4.169 -13.694 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.227 3.300 -16.035 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.685 3.582 -17.457 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.173 3.355 -17.649 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.999 4.079 -17.104 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -2.522 2.343 -18.425 1.00 0.00 N ATOM 0 H GLN A 103 1.505 1.724 -14.440 1.00 0.00 H new ATOM 0 HA GLN A 103 1.758 3.414 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.659 2.355 -15.704 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.616 4.077 -15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.443 4.613 -17.715 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.132 2.943 -18.146 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.805 1.763 -18.861 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.509 2.142 -18.588 1.00 0.00 H new ATOM 1219 N ALA A 104 2.339 5.384 -15.442 1.00 0.00 N ATOM 1220 CA ALA A 104 2.833 6.479 -14.614 1.00 0.00 C ATOM 1221 C ALA A 104 1.756 7.538 -14.395 1.00 0.00 C ATOM 1222 O ALA A 104 1.145 8.027 -15.346 1.00 0.00 O ATOM 1223 CB ALA A 104 4.070 7.103 -15.243 1.00 0.00 C ATOM 0 H ALA A 104 2.472 5.519 -16.444 1.00 0.00 H new ATOM 0 HA ALA A 104 3.102 6.068 -13.641 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.426 7.918 -14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.851 6.348 -15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.820 7.490 -16.231 1.00 0.00 H new ATOM 1229 N GLY A 105 1.529 7.886 -13.134 1.00 0.00 N ATOM 1230 CA GLY A 105 0.525 8.881 -12.807 1.00 0.00 C ATOM 1231 C GLY A 105 0.117 8.843 -11.345 1.00 0.00 C ATOM 1232 O GLY A 105 0.875 8.378 -10.491 1.00 0.00 O ATOM 0 H GLY A 105 2.023 7.496 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.910 9.872 -13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.355 8.722 -13.430 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.087 9.329 -11.059 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.601 9.358 -9.693 1.00 0.00 C ATOM 1238 C GLU A 106 -2.606 8.231 -9.449 1.00 0.00 C ATOM 1239 O GLU A 106 -3.577 8.070 -10.190 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.252 10.711 -9.401 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.366 11.653 -8.603 1.00 0.00 C ATOM 1242 CD GLU A 106 -1.750 13.110 -8.781 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.698 13.602 -9.928 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.103 13.760 -7.771 1.00 0.00 O ATOM 0 H GLU A 106 -1.727 9.709 -11.757 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.758 9.210 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.518 11.188 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.180 10.548 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.425 11.393 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.329 11.515 -8.908 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.358 7.457 -8.400 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.224 6.340 -8.026 1.00 0.00 C ATOM 1253 C PHE A 107 -3.760 6.549 -6.607 1.00 0.00 C ATOM 1254 O PHE A 107 -3.352 7.486 -5.917 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.447 5.022 -8.121 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.110 4.626 -9.531 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.942 5.069 -10.130 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.963 3.817 -10.258 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.634 4.709 -11.428 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.662 3.452 -11.555 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.495 3.899 -12.142 1.00 0.00 C ATOM 0 H PHE A 107 -1.554 7.583 -7.785 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.069 6.294 -8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.525 5.111 -7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.035 4.229 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.265 5.703 -9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.878 3.465 -9.805 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.280 5.061 -11.884 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.338 2.818 -12.109 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.256 3.616 -13.157 1.00 0.00 H new ATOM 1271 N SER A 108 -4.673 5.692 -6.162 1.00 0.00 N ATOM 1272 CA SER A 108 -5.240 5.837 -4.820 1.00 0.00 C ATOM 1273 C SER A 108 -5.759 4.513 -4.261 1.00 0.00 C ATOM 1274 O SER A 108 -6.073 3.585 -5.007 1.00 0.00 O ATOM 1275 CB SER A 108 -6.373 6.866 -4.832 1.00 0.00 C ATOM 1276 OG SER A 108 -5.861 8.188 -4.868 1.00 0.00 O ATOM 0 H SER A 108 -5.033 4.902 -6.697 1.00 0.00 H new ATOM 0 HA SER A 108 -4.434 6.178 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.013 6.697 -5.698 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.995 6.737 -3.946 1.00 0.00 H new ATOM 0 HG SER A 108 -4.952 8.177 -5.234 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.838 4.445 -2.934 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.329 3.257 -2.235 1.00 0.00 C ATOM 1284 C PHE A 109 -7.080 3.650 -0.961 1.00 0.00 C ATOM 1285 O PHE A 109 -6.692 4.592 -0.268 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.176 2.297 -1.901 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.058 2.909 -1.094 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -3.029 3.597 -1.718 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -4.031 2.782 0.286 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -2.000 4.151 -0.981 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -3.004 3.332 1.028 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.986 4.017 0.393 1.00 0.00 C ATOM 0 H PHE A 109 -5.565 5.208 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.021 2.740 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.578 1.446 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.763 1.909 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.032 3.701 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.823 2.246 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.207 4.689 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.997 3.227 2.103 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.181 4.447 0.970 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.158 2.930 -0.659 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.964 3.217 0.527 1.00 0.00 C ATOM 1304 C ALA A 110 -9.859 2.037 0.900 1.00 0.00 C ATOM 1305 O ALA A 110 -9.873 1.014 0.219 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.818 4.455 0.294 1.00 0.00 C ATOM 0 H ALA A 110 -8.494 2.145 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.278 3.396 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.414 4.659 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.173 5.308 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.480 4.286 -0.555 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.991 7.809 -1.097 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.607 8.156 -2.465 1.00 0.00 C ATOM 1421 C LYS A 119 -1.283 7.505 -2.873 1.00 0.00 C ATOM 1422 O LYS A 119 -0.422 7.234 -2.035 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.507 9.677 -2.607 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.730 10.181 -4.026 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.010 11.677 -4.049 1.00 0.00 C ATOM 1426 CE LYS A 119 -1.817 12.463 -4.569 1.00 0.00 C ATOM 1427 NZ LYS A 119 -2.213 13.810 -5.065 1.00 0.00 N ATOM 0 HA LYS A 119 -3.380 7.773 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.240 10.142 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.523 10.000 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.850 9.965 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.566 9.646 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.879 11.875 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.259 12.016 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.079 12.571 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.338 11.906 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.407 14.462 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.499 13.742 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.010 14.168 -4.500 1.00 0.00 H new ATOM 1441 N MET A 120 -1.134 7.257 -4.169 1.00 0.00 N ATOM 1442 CA MET A 120 0.080 6.646 -4.706 1.00 0.00 C ATOM 1443 C MET A 120 0.535 7.367 -5.977 1.00 0.00 C ATOM 1444 O MET A 120 -0.282 7.753 -6.806 1.00 0.00 O ATOM 1445 CB MET A 120 -0.168 5.163 -5.005 1.00 0.00 C ATOM 1446 CG MET A 120 1.053 4.432 -5.539 1.00 0.00 C ATOM 1447 SD MET A 120 0.669 3.380 -6.950 1.00 0.00 S ATOM 1448 CE MET A 120 0.199 1.867 -6.121 1.00 0.00 C ATOM 0 H MET A 120 -1.842 7.470 -4.872 1.00 0.00 H new ATOM 0 HA MET A 120 0.869 6.735 -3.959 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.505 4.670 -4.093 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.977 5.079 -5.731 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.810 5.161 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.484 3.824 -4.744 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.276 1.032 -6.817 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.862 1.695 -5.273 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.828 1.950 -5.767 1.00 0.00 H new ATOM 1458 N ILE A 121 1.842 7.557 -6.120 1.00 0.00 N ATOM 1459 CA ILE A 121 2.388 8.227 -7.300 1.00 0.00 C ATOM 1460 C ILE A 121 3.427 7.342 -7.991 1.00 0.00 C ATOM 1461 O ILE A 121 4.433 6.959 -7.393 1.00 0.00 O ATOM 1462 CB ILE A 121 3.021 9.594 -6.943 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.953 10.556 -6.414 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.716 10.199 -8.157 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.934 10.673 -4.907 1.00 0.00 C ATOM 0 H ILE A 121 2.541 7.260 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 121 1.556 8.406 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 121 3.765 9.431 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.121 11.543 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.974 10.221 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.154 11.159 -7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.502 9.526 -8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.990 10.345 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.153 11.371 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.735 9.695 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.900 11.037 -4.558 1.00 0.00 H new ATOM 1477 N VAL A 122 3.172 7.018 -9.254 1.00 0.00 N ATOM 1478 CA VAL A 122 4.082 6.176 -10.026 1.00 0.00 C ATOM 1479 C VAL A 122 4.919 7.010 -11.000 1.00 0.00 C ATOM 1480 O VAL A 122 4.384 7.726 -11.843 1.00 0.00 O ATOM 1481 CB VAL A 122 3.313 5.086 -10.801 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.259 4.244 -11.644 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.528 4.204 -9.841 1.00 0.00 C ATOM 0 H VAL A 122 2.344 7.324 -9.765 1.00 0.00 H new ATOM 0 HA VAL A 122 4.752 5.693 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 122 2.612 5.581 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.690 3.484 -12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.775 4.883 -12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.991 3.761 -10.997 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.991 3.441 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.215 3.725 -9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.815 4.814 -9.287 1.00 0.00 H new ATOM 1493 N GLU A 123 6.238 6.899 -10.881 1.00 0.00 N ATOM 1494 CA GLU A 123 7.157 7.647 -11.741 1.00 0.00 C ATOM 1495 C GLU A 123 7.363 6.943 -13.085 1.00 0.00 C ATOM 1496 O GLU A 123 8.092 5.926 -13.114 1.00 0.00 O ATOM 1497 CB GLU A 123 8.505 7.835 -11.038 1.00 0.00 C ATOM 1498 CG GLU A 123 8.450 8.783 -9.849 1.00 0.00 C ATOM 1499 CD GLU A 123 9.803 9.392 -9.521 1.00 0.00 C ATOM 1500 OE1 GLU A 123 10.439 9.951 -10.439 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.224 9.311 -8.344 1.00 0.00 O ATOM 0 H GLU A 123 6.698 6.298 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 123 6.712 8.623 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.867 6.864 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.231 8.212 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.738 9.581 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.078 8.245 -8.977 1.00 0.00 H new