USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 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 70 ASN : amide:sc= -0.856 K(o=-0.97,f=-5.4!) USER MOD Set 1.2: A 82 TYR OH : rot 130:sc= -0.11 USER MOD Single : A 3 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 0.325 (180deg=0.32) USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= -0.293 (180deg=-1.03) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.482 F(o=-1.6,f=-0.48) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 144:sc= -2.02 (180deg=-3.26!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.3) USER MOD Single : A 43 SER OG : rot 80:sc= 0.491 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 45 MET CE :methyl -145:sc= -0.0363 (180deg=-0.12) USER MOD Single : A 47 ASN : amide:sc= 0.0311 K(o=0.031,f=-0.61) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -108:sc= 0.515 USER MOD Single : A 72 THR OG1 : rot 86:sc= 0.709 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.52 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -76:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.777 9.660 4.078 1.00 0.00 N ATOM 21 CA VAL A 2 -9.323 9.522 4.087 1.00 0.00 C ATOM 22 C VAL A 2 -8.789 9.184 2.693 1.00 0.00 C ATOM 23 O VAL A 2 -9.024 8.091 2.174 1.00 0.00 O ATOM 24 CB VAL A 2 -8.856 8.452 5.104 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.418 7.079 4.758 1.00 0.00 C ATOM 26 CG2 VAL A 2 -7.335 8.413 5.179 1.00 0.00 C ATOM 0 HA VAL A 2 -8.916 10.486 4.394 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.241 8.729 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.072 6.349 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.507 7.118 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.077 6.786 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.026 7.655 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.928 8.169 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.961 9.387 5.494 1.00 0.00 H new ATOM 36 N ASN A 3 -8.075 10.136 2.091 1.00 0.00 N ATOM 37 CA ASN A 3 -7.510 9.946 0.756 1.00 0.00 C ATOM 38 C ASN A 3 -6.001 9.718 0.826 1.00 0.00 C ATOM 39 O ASN A 3 -5.268 10.526 1.399 1.00 0.00 O ATOM 40 CB ASN A 3 -7.816 11.154 -0.133 1.00 0.00 C ATOM 41 CG ASN A 3 -9.271 11.205 -0.565 1.00 0.00 C ATOM 42 OD1 ASN A 3 -9.962 12.198 -0.338 1.00 0.00 O ATOM 43 ND2 ASN A 3 -9.749 10.133 -1.193 1.00 0.00 N ATOM 0 H ASN A 3 -7.875 11.046 2.507 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.972 9.060 0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.568 12.069 0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.179 11.121 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.720 10.115 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.144 9.329 -1.362 1.00 0.00 H new ATOM 50 N VAL A 4 -5.548 8.610 0.242 1.00 0.00 N ATOM 51 CA VAL A 4 -4.130 8.265 0.239 1.00 0.00 C ATOM 52 C VAL A 4 -3.618 8.036 -1.183 1.00 0.00 C ATOM 53 O VAL A 4 -3.972 7.047 -1.829 1.00 0.00 O ATOM 54 CB VAL A 4 -3.868 7.002 1.085 1.00 0.00 C ATOM 55 CG1 VAL A 4 -2.378 6.718 1.188 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.487 7.144 2.470 1.00 0.00 C ATOM 0 H VAL A 4 -6.145 7.935 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.593 9.107 0.676 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.339 6.156 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.219 5.823 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.967 6.563 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.878 7.565 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.291 6.243 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.050 8.004 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.563 7.287 2.375 1.00 0.00 H new ATOM 66 N LYS A 5 -2.780 8.956 -1.664 1.00 0.00 N ATOM 67 CA LYS A 5 -2.213 8.854 -3.006 1.00 0.00 C ATOM 68 C LYS A 5 -0.987 7.947 -3.001 1.00 0.00 C ATOM 69 O LYS A 5 0.041 8.282 -2.409 1.00 0.00 O ATOM 70 CB LYS A 5 -1.839 10.243 -3.539 1.00 0.00 C ATOM 71 CG LYS A 5 -1.287 10.226 -4.958 1.00 0.00 C ATOM 72 CD LYS A 5 0.235 10.199 -4.967 1.00 0.00 C ATOM 73 CE LYS A 5 0.815 11.370 -5.747 1.00 0.00 C ATOM 74 NZ LYS A 5 2.045 11.915 -5.105 1.00 0.00 N ATOM 0 H LYS A 5 -2.480 9.780 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.967 8.419 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.721 10.883 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.098 10.690 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.670 9.354 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.639 11.106 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.605 10.225 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.580 9.263 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.048 11.049 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.067 12.159 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.388 12.732 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.826 12.214 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.780 11.180 -5.084 1.00 0.00 H new ATOM 88 N VAL A 6 -1.104 6.797 -3.663 1.00 0.00 N ATOM 89 CA VAL A 6 -0.004 5.838 -3.734 1.00 0.00 C ATOM 90 C VAL A 6 0.531 5.710 -5.160 1.00 0.00 C ATOM 91 O VAL A 6 -0.239 5.699 -6.122 1.00 0.00 O ATOM 92 CB VAL A 6 -0.423 4.442 -3.224 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.558 4.445 -1.708 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.719 3.990 -3.881 1.00 0.00 C ATOM 0 H VAL A 6 -1.948 6.507 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 6 0.783 6.225 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 6 0.357 3.732 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.854 3.453 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.398 4.713 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.315 5.171 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.993 3.004 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.512 4.700 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.582 3.941 -4.961 1.00 0.00 H new ATOM 104 N GLU A 7 1.855 5.615 -5.286 1.00 0.00 N ATOM 105 CA GLU A 7 2.495 5.490 -6.593 1.00 0.00 C ATOM 106 C GLU A 7 3.101 4.099 -6.779 1.00 0.00 C ATOM 107 O GLU A 7 4.026 3.715 -6.064 1.00 0.00 O ATOM 108 CB GLU A 7 3.571 6.567 -6.761 1.00 0.00 C ATOM 109 CG GLU A 7 3.063 7.819 -7.464 1.00 0.00 C ATOM 110 CD GLU A 7 3.556 9.105 -6.825 1.00 0.00 C ATOM 111 OE1 GLU A 7 3.414 9.253 -5.591 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.080 9.968 -7.559 1.00 0.00 O ATOM 0 H GLU A 7 2.504 5.622 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 7 1.732 5.630 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.958 6.841 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.405 6.153 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.378 7.795 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.973 7.813 -7.460 1.00 0.00 H new ATOM 119 N PHE A 8 2.565 3.349 -7.743 1.00 0.00 N ATOM 120 CA PHE A 8 3.041 1.996 -8.026 1.00 0.00 C ATOM 121 C PHE A 8 4.046 1.988 -9.174 1.00 0.00 C ATOM 122 O PHE A 8 3.754 2.466 -10.272 1.00 0.00 O ATOM 123 CB PHE A 8 1.862 1.077 -8.355 1.00 0.00 C ATOM 124 CG PHE A 8 0.942 0.848 -7.190 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.320 0.019 -6.145 1.00 0.00 C ATOM 126 CD2 PHE A 8 -0.298 1.464 -7.137 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.479 -0.193 -5.071 1.00 0.00 C ATOM 128 CE2 PHE A 8 -1.144 1.256 -6.065 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.755 0.426 -5.031 1.00 0.00 C ATOM 0 H PHE A 8 1.799 3.658 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 8 3.546 1.627 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.293 1.509 -9.179 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.245 0.117 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.284 -0.467 -6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.606 2.114 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.785 -0.842 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.108 1.741 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.415 0.261 -4.192 1.00 0.00 H new ATOM 139 N LEU A 9 5.233 1.445 -8.906 1.00 0.00 N ATOM 140 CA LEU A 9 6.294 1.373 -9.908 1.00 0.00 C ATOM 141 C LEU A 9 6.795 -0.060 -10.084 1.00 0.00 C ATOM 142 O LEU A 9 6.610 -0.908 -9.207 1.00 0.00 O ATOM 143 CB LEU A 9 7.458 2.282 -9.505 1.00 0.00 C ATOM 144 CG LEU A 9 7.308 3.749 -9.914 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.143 4.394 -9.180 1.00 0.00 C ATOM 146 CD2 LEU A 9 8.592 4.512 -9.638 1.00 0.00 C ATOM 0 H LEU A 9 5.484 1.048 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 9 5.881 1.709 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.579 2.233 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.374 1.890 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 9 7.104 3.786 -10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.053 5.437 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.222 3.864 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.318 4.344 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.467 5.553 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.823 4.463 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.409 4.068 -10.207 1.00 0.00 H new ATOM 158 N GLY A 10 7.435 -0.320 -11.226 1.00 0.00 N ATOM 159 CA GLY A 10 7.959 -1.645 -11.504 1.00 0.00 C ATOM 160 C GLY A 10 6.946 -2.533 -12.202 1.00 0.00 C ATOM 161 O GLY A 10 6.627 -2.316 -13.373 1.00 0.00 O ATOM 0 H GLY A 10 7.598 0.367 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.850 -1.557 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.267 -2.114 -10.570 1.00 0.00 H new ATOM 165 N GLY A 11 6.440 -3.530 -11.478 1.00 0.00 N ATOM 166 CA GLY A 11 5.458 -4.442 -12.041 1.00 0.00 C ATOM 167 C GLY A 11 4.207 -4.556 -11.183 1.00 0.00 C ATOM 168 O GLY A 11 3.614 -5.632 -11.086 1.00 0.00 O ATOM 0 H GLY A 11 6.694 -3.722 -10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.180 -4.101 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.907 -5.429 -12.155 1.00 0.00 H new ATOM 172 N LEU A 12 3.806 -3.446 -10.559 1.00 0.00 N ATOM 173 CA LEU A 12 2.619 -3.425 -9.704 1.00 0.00 C ATOM 174 C LEU A 12 1.443 -2.747 -10.408 1.00 0.00 C ATOM 175 O LEU A 12 0.313 -3.235 -10.349 1.00 0.00 O ATOM 176 CB LEU A 12 2.926 -2.715 -8.383 1.00 0.00 C ATOM 177 CG LEU A 12 3.341 -3.641 -7.239 1.00 0.00 C ATOM 178 CD1 LEU A 12 4.047 -2.854 -6.144 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.125 -4.372 -6.685 1.00 0.00 C ATOM 0 H LEU A 12 4.287 -2.549 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 12 2.338 -4.457 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.723 -1.991 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.044 -2.153 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 12 4.040 -4.383 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.335 -3.529 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.938 -2.378 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.375 -2.090 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.434 -5.028 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.403 -3.646 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.666 -4.966 -7.475 1.00 0.00 H new ATOM 191 N ASP A 13 1.718 -1.625 -11.079 1.00 0.00 N ATOM 192 CA ASP A 13 0.682 -0.882 -11.804 1.00 0.00 C ATOM 193 C ASP A 13 0.025 -1.750 -12.882 1.00 0.00 C ATOM 194 O ASP A 13 -1.141 -1.543 -13.223 1.00 0.00 O ATOM 195 CB ASP A 13 1.268 0.382 -12.446 1.00 0.00 C ATOM 196 CG ASP A 13 2.536 0.109 -13.235 1.00 0.00 C ATOM 197 OD1 ASP A 13 2.428 -0.237 -14.430 1.00 0.00 O ATOM 198 OD2 ASP A 13 3.636 0.235 -12.654 1.00 0.00 O ATOM 0 H ASP A 13 2.648 -1.211 -11.136 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.080 -0.594 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.524 0.827 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.481 1.114 -11.667 1.00 0.00 H new ATOM 203 N ALA A 14 0.777 -2.719 -13.413 1.00 0.00 N ATOM 204 CA ALA A 14 0.259 -3.615 -14.448 1.00 0.00 C ATOM 205 C ALA A 14 -0.914 -4.438 -13.923 1.00 0.00 C ATOM 206 O ALA A 14 -1.858 -4.728 -14.657 1.00 0.00 O ATOM 207 CB ALA A 14 1.361 -4.534 -14.962 1.00 0.00 C ATOM 0 H ALA A 14 1.744 -2.902 -13.143 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.098 -3.001 -15.275 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.957 -5.193 -15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.167 -3.934 -15.385 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.749 -5.133 -14.138 1.00 0.00 H new ATOM 213 N ILE A 15 -0.844 -4.807 -12.645 1.00 0.00 N ATOM 214 CA ILE A 15 -1.896 -5.593 -12.010 1.00 0.00 C ATOM 215 C ILE A 15 -3.138 -4.740 -11.739 1.00 0.00 C ATOM 216 O ILE A 15 -4.266 -5.213 -11.881 1.00 0.00 O ATOM 217 CB ILE A 15 -1.413 -6.214 -10.682 1.00 0.00 C ATOM 218 CG1 ILE A 15 -0.084 -6.950 -10.881 1.00 0.00 C ATOM 219 CG2 ILE A 15 -2.467 -7.159 -10.126 1.00 0.00 C ATOM 220 CD1 ILE A 15 0.571 -7.388 -9.586 1.00 0.00 C ATOM 0 H ILE A 15 -0.066 -4.572 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.153 -6.393 -12.704 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.254 -5.410 -9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.255 -7.827 -11.506 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.603 -6.301 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.112 -7.589 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.390 -6.609 -9.946 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.655 -7.957 -10.844 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.507 -7.902 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.774 -6.514 -8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.096 -8.064 -9.051 1.00 0.00 H new ATOM 232 N PHE A 16 -2.923 -3.483 -11.347 1.00 0.00 N ATOM 233 CA PHE A 16 -4.027 -2.571 -11.053 1.00 0.00 C ATOM 234 C PHE A 16 -4.779 -2.185 -12.328 1.00 0.00 C ATOM 235 O PHE A 16 -5.920 -2.602 -12.535 1.00 0.00 O ATOM 236 CB PHE A 16 -3.506 -1.310 -10.356 1.00 0.00 C ATOM 237 CG PHE A 16 -3.311 -1.472 -8.875 1.00 0.00 C ATOM 238 CD1 PHE A 16 -4.350 -1.215 -7.995 1.00 0.00 C ATOM 239 CD2 PHE A 16 -2.090 -1.882 -8.363 1.00 0.00 C ATOM 240 CE1 PHE A 16 -4.176 -1.363 -6.633 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.910 -2.032 -7.001 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.954 -1.772 -6.135 1.00 0.00 C ATOM 0 H PHE A 16 -1.996 -3.075 -11.226 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.719 -3.089 -10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.557 -1.022 -10.809 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.205 -0.493 -10.534 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.307 -0.895 -8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.270 -2.086 -9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.994 -1.159 -5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.954 -2.352 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.815 -1.888 -5.070 1.00 0.00 H new ATOM 252 N GLY A 17 -4.130 -1.385 -13.174 1.00 0.00 N ATOM 253 CA GLY A 17 -4.745 -0.949 -14.419 1.00 0.00 C ATOM 254 C GLY A 17 -3.878 0.037 -15.184 1.00 0.00 C ATOM 255 O GLY A 17 -4.371 1.053 -15.678 1.00 0.00 O ATOM 0 H GLY A 17 -3.186 -1.030 -13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.941 -1.818 -15.047 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.709 -0.488 -14.202 1.00 0.00 H new ATOM 259 N LYS A 18 -2.580 -0.265 -15.278 1.00 0.00 N ATOM 260 CA LYS A 18 -1.627 0.594 -15.982 1.00 0.00 C ATOM 261 C LYS A 18 -1.640 2.022 -15.421 1.00 0.00 C ATOM 262 O LYS A 18 -1.434 2.989 -16.159 1.00 0.00 O ATOM 263 CB LYS A 18 -1.934 0.606 -17.486 1.00 0.00 C ATOM 264 CG LYS A 18 -0.955 -0.211 -18.317 1.00 0.00 C ATOM 265 CD LYS A 18 0.088 0.674 -18.987 1.00 0.00 C ATOM 266 CE LYS A 18 0.735 -0.017 -20.181 1.00 0.00 C ATOM 267 NZ LYS A 18 -0.274 -0.523 -21.155 1.00 0.00 N ATOM 0 H LYS A 18 -2.164 -1.103 -14.872 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.628 0.186 -15.827 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.941 0.221 -17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.927 1.637 -17.841 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.457 -0.942 -17.679 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.501 -0.770 -19.077 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.380 1.603 -19.314 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.857 0.942 -18.262 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.404 0.681 -20.684 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.347 -0.848 -19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.048 -0.324 -22.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.391 -1.549 -21.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.185 -0.049 -20.989 1.00 0.00 H new ATOM 281 N GLN A 19 -1.875 2.151 -14.112 1.00 0.00 N ATOM 282 CA GLN A 19 -1.907 3.460 -13.462 1.00 0.00 C ATOM 283 C GLN A 19 -0.889 3.531 -12.327 1.00 0.00 C ATOM 284 O GLN A 19 -0.854 2.655 -11.459 1.00 0.00 O ATOM 285 CB GLN A 19 -3.311 3.760 -12.926 1.00 0.00 C ATOM 286 CG GLN A 19 -3.984 4.941 -13.611 1.00 0.00 C ATOM 287 CD GLN A 19 -4.052 6.172 -12.726 1.00 0.00 C ATOM 288 OE1 GLN A 19 -3.122 6.976 -12.693 1.00 0.00 O ATOM 289 NE2 GLN A 19 -5.157 6.327 -12.005 1.00 0.00 N ATOM 0 H GLN A 19 -2.045 1.365 -13.484 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.646 4.211 -14.208 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.935 2.875 -13.050 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.248 3.959 -11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.440 5.185 -14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.993 4.656 -13.908 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.905 5.636 -12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.258 7.138 -11.394 1.00 0.00 H new ATOM 298 N ARG A 20 -0.065 4.579 -12.339 1.00 0.00 N ATOM 299 CA ARG A 20 0.959 4.770 -11.312 1.00 0.00 C ATOM 300 C ARG A 20 0.372 5.439 -10.070 1.00 0.00 C ATOM 301 O ARG A 20 0.341 4.844 -8.991 1.00 0.00 O ATOM 302 CB ARG A 20 2.116 5.613 -11.862 1.00 0.00 C ATOM 303 CG ARG A 20 3.391 4.819 -12.095 1.00 0.00 C ATOM 304 CD ARG A 20 4.391 5.600 -12.933 1.00 0.00 C ATOM 305 NE ARG A 20 5.646 4.868 -13.121 1.00 0.00 N ATOM 306 CZ ARG A 20 6.630 5.272 -13.930 1.00 0.00 C ATOM 307 NH1 ARG A 20 6.511 6.399 -14.625 1.00 0.00 N ATOM 308 NH2 ARG A 20 7.738 4.545 -14.044 1.00 0.00 N ATOM 0 H ARG A 20 -0.087 5.310 -13.050 1.00 0.00 H new ATOM 0 HA ARG A 20 1.337 3.788 -11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.806 6.071 -12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.326 6.425 -11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.841 4.562 -11.136 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.150 3.881 -12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.952 5.822 -13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.598 6.556 -12.451 1.00 0.00 H new ATOM 0 HE ARG A 20 5.776 3.999 -12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.664 6.962 -14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.266 6.701 -15.240 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.837 3.679 -13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.489 4.853 -14.661 1.00 0.00 H new ATOM 322 N VAL A 21 -0.091 6.679 -10.231 1.00 0.00 N ATOM 323 CA VAL A 21 -0.675 7.434 -9.126 1.00 0.00 C ATOM 324 C VAL A 21 -2.120 7.005 -8.872 1.00 0.00 C ATOM 325 O VAL A 21 -3.023 7.343 -9.640 1.00 0.00 O ATOM 326 CB VAL A 21 -0.632 8.956 -9.393 1.00 0.00 C ATOM 327 CG1 VAL A 21 -1.085 9.734 -8.167 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.765 9.391 -9.816 1.00 0.00 C ATOM 0 H VAL A 21 -0.072 7.181 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.075 7.218 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.321 9.174 -10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.046 10.802 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.107 9.451 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.427 9.507 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.772 10.466 -9.999 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.475 9.153 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.049 8.866 -10.728 1.00 0.00 H new ATOM 338 N HIS A 22 -2.327 6.257 -7.789 1.00 0.00 N ATOM 339 CA HIS A 22 -3.657 5.774 -7.427 1.00 0.00 C ATOM 340 C HIS A 22 -4.166 6.456 -6.154 1.00 0.00 C ATOM 341 O HIS A 22 -3.435 7.209 -5.508 1.00 0.00 O ATOM 342 CB HIS A 22 -3.630 4.256 -7.236 1.00 0.00 C ATOM 343 CG HIS A 22 -4.160 3.496 -8.413 1.00 0.00 C ATOM 344 ND1 HIS A 22 -5.430 3.297 -8.839 1.00 0.00 N flip ATOM 345 CD2 HIS A 22 -3.349 2.826 -9.306 1.00 0.00 C flip ATOM 346 CE1 HIS A 22 -5.362 2.519 -9.968 1.00 0.00 C flip ATOM 347 NE2 HIS A 22 -4.098 2.248 -10.230 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.588 5.972 -7.146 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.340 6.022 -8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.605 3.940 -7.042 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.216 3.998 -6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.271 2.781 -9.258 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.208 2.183 -10.549 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -3.757 1.688 -11.012 1.00 0.00 H new ATOM 356 N LYS A 23 -5.426 6.187 -5.802 1.00 0.00 N ATOM 357 CA LYS A 23 -6.038 6.775 -4.609 1.00 0.00 C ATOM 358 C LYS A 23 -6.737 5.711 -3.761 1.00 0.00 C ATOM 359 O LYS A 23 -7.437 4.845 -4.290 1.00 0.00 O ATOM 360 CB LYS A 23 -7.037 7.870 -5.006 1.00 0.00 C ATOM 361 CG LYS A 23 -8.050 7.437 -6.061 1.00 0.00 C ATOM 362 CD LYS A 23 -8.506 8.613 -6.913 1.00 0.00 C ATOM 363 CE LYS A 23 -9.971 8.947 -6.670 1.00 0.00 C ATOM 364 NZ LYS A 23 -10.885 8.096 -7.487 1.00 0.00 N ATOM 0 H LYS A 23 -6.042 5.566 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.242 7.218 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.574 8.197 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.485 8.732 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.607 6.673 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.913 6.983 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.892 9.485 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.356 8.379 -7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.202 8.815 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.147 9.997 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.872 8.358 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.684 8.241 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.737 7.096 -7.244 1.00 0.00 H new ATOM 378 N ILE A 24 -6.540 5.782 -2.442 1.00 0.00 N ATOM 379 CA ILE A 24 -7.146 4.824 -1.516 1.00 0.00 C ATOM 380 C ILE A 24 -8.100 5.517 -0.538 1.00 0.00 C ATOM 381 O ILE A 24 -7.927 6.697 -0.220 1.00 0.00 O ATOM 382 CB ILE A 24 -6.072 4.059 -0.708 1.00 0.00 C ATOM 383 CG1 ILE A 24 -4.929 3.599 -1.620 1.00 0.00 C ATOM 384 CG2 ILE A 24 -6.688 2.866 0.011 1.00 0.00 C ATOM 385 CD1 ILE A 24 -5.368 2.657 -2.723 1.00 0.00 C ATOM 0 H ILE A 24 -5.965 6.494 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.707 4.117 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.663 4.740 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.459 4.475 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.169 3.105 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.915 2.342 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.462 3.214 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.128 2.188 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.505 2.376 -3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.811 1.763 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.105 3.154 -3.354 1.00 0.00 H new ATOM 397 N LYS A 25 -9.106 4.774 -0.063 1.00 0.00 N ATOM 398 CA LYS A 25 -10.088 5.310 0.882 1.00 0.00 C ATOM 399 C LYS A 25 -10.626 4.209 1.804 1.00 0.00 C ATOM 400 O LYS A 25 -11.513 3.444 1.418 1.00 0.00 O ATOM 401 CB LYS A 25 -11.244 5.971 0.119 1.00 0.00 C ATOM 402 CG LYS A 25 -12.104 6.888 0.976 1.00 0.00 C ATOM 403 CD LYS A 25 -13.443 7.179 0.310 1.00 0.00 C ATOM 404 CE LYS A 25 -13.773 8.664 0.333 1.00 0.00 C ATOM 405 NZ LYS A 25 -14.367 9.125 -0.954 1.00 0.00 N ATOM 0 H LYS A 25 -9.260 3.799 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.592 6.057 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.836 6.545 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.875 5.193 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.273 6.426 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.574 7.824 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.420 6.827 -0.721 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.231 6.623 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.469 8.868 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.867 9.233 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.577 10.142 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.694 8.955 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.246 8.601 -1.138 1.00 0.00 H new ATOM 419 N MET A 26 -10.085 4.139 3.024 1.00 0.00 N ATOM 420 CA MET A 26 -10.509 3.137 4.008 1.00 0.00 C ATOM 421 C MET A 26 -11.884 3.478 4.581 1.00 0.00 C ATOM 422 O MET A 26 -12.799 2.654 4.560 1.00 0.00 O ATOM 423 CB MET A 26 -9.485 3.035 5.147 1.00 0.00 C ATOM 424 CG MET A 26 -8.932 1.634 5.357 1.00 0.00 C ATOM 425 SD MET A 26 -10.176 0.473 5.958 1.00 0.00 S ATOM 426 CE MET A 26 -9.136 -0.859 6.554 1.00 0.00 C ATOM 0 H MET A 26 -9.351 4.765 3.355 1.00 0.00 H new ATOM 0 HA MET A 26 -10.573 2.176 3.497 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.658 3.714 4.940 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.951 3.373 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.522 1.266 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.108 1.677 6.069 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.581 -1.295 7.449 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.047 -1.624 5.783 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.147 -0.469 6.794 1.00 0.00 H new ATOM 436 N ASP A 27 -12.010 4.703 5.096 1.00 0.00 N ATOM 437 CA ASP A 27 -13.260 5.186 5.688 1.00 0.00 C ATOM 438 C ASP A 27 -13.726 4.263 6.819 1.00 0.00 C ATOM 439 O ASP A 27 -14.652 3.468 6.647 1.00 0.00 O ATOM 440 CB ASP A 27 -14.348 5.318 4.612 1.00 0.00 C ATOM 441 CG ASP A 27 -14.850 6.744 4.471 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.588 7.205 5.367 1.00 0.00 O ATOM 443 OD2 ASP A 27 -14.502 7.400 3.466 1.00 0.00 O ATOM 0 H ASP A 27 -11.252 5.386 5.115 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.074 6.172 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.952 4.978 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.184 4.664 4.861 1.00 0.00 H new ATOM 448 N LYS A 28 -13.068 4.374 7.975 1.00 0.00 N ATOM 449 CA LYS A 28 -13.403 3.550 9.136 1.00 0.00 C ATOM 450 C LYS A 28 -13.419 4.380 10.422 1.00 0.00 C ATOM 451 O LYS A 28 -14.472 4.580 11.027 1.00 0.00 O ATOM 452 CB LYS A 28 -12.409 2.388 9.260 1.00 0.00 C ATOM 453 CG LYS A 28 -12.683 1.462 10.436 1.00 0.00 C ATOM 454 CD LYS A 28 -12.042 0.098 10.231 1.00 0.00 C ATOM 455 CE LYS A 28 -11.871 -0.648 11.547 1.00 0.00 C ATOM 456 NZ LYS A 28 -10.675 -0.180 12.307 1.00 0.00 N ATOM 0 H LYS A 28 -12.300 5.027 8.131 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.405 3.147 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.430 1.805 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.402 2.794 9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.300 1.912 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.759 1.344 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.657 -0.495 9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.070 0.221 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.764 -0.513 12.158 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.779 -1.716 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.597 -0.715 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.819 -0.332 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.774 0.833 12.520 1.00 0.00 H new ATOM 470 N GLU A 29 -12.245 4.853 10.832 1.00 0.00 N ATOM 471 CA GLU A 29 -12.113 5.658 12.046 1.00 0.00 C ATOM 472 C GLU A 29 -11.104 6.789 11.843 1.00 0.00 C ATOM 473 O GLU A 29 -10.581 6.972 10.742 1.00 0.00 O ATOM 474 CB GLU A 29 -11.670 4.772 13.215 1.00 0.00 C ATOM 475 CG GLU A 29 -12.822 4.144 13.983 1.00 0.00 C ATOM 476 CD GLU A 29 -12.357 3.407 15.225 1.00 0.00 C ATOM 477 OE1 GLU A 29 -11.523 2.486 15.092 1.00 0.00 O ATOM 478 OE2 GLU A 29 -12.826 3.752 16.330 1.00 0.00 O ATOM 0 H GLU A 29 -11.366 4.692 10.339 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.084 6.098 12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.026 3.980 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.070 5.368 13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.531 4.921 14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.355 3.452 13.331 1.00 0.00 H new ATOM 485 N ASP A 30 -10.830 7.542 12.910 1.00 0.00 N ATOM 486 CA ASP A 30 -9.876 8.646 12.841 1.00 0.00 C ATOM 487 C ASP A 30 -8.436 8.139 12.970 1.00 0.00 C ATOM 488 O ASP A 30 -7.625 8.341 12.066 1.00 0.00 O ATOM 489 CB ASP A 30 -10.169 9.690 13.926 1.00 0.00 C ATOM 490 CG ASP A 30 -11.074 10.811 13.441 1.00 0.00 C ATOM 491 OD1 ASP A 30 -10.937 11.230 12.272 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.917 11.276 14.238 1.00 0.00 O ATOM 0 H ASP A 30 -11.254 7.407 13.828 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.987 9.119 11.865 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.635 9.198 14.780 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.229 10.115 14.277 1.00 0.00 H new ATOM 497 N PRO A 31 -8.090 7.471 14.094 1.00 0.00 N ATOM 498 CA PRO A 31 -6.736 6.946 14.314 1.00 0.00 C ATOM 499 C PRO A 31 -6.462 5.668 13.512 1.00 0.00 C ATOM 500 O PRO A 31 -6.173 4.614 14.083 1.00 0.00 O ATOM 501 CB PRO A 31 -6.716 6.665 15.818 1.00 0.00 C ATOM 502 CG PRO A 31 -8.130 6.340 16.155 1.00 0.00 C ATOM 503 CD PRO A 31 -8.984 7.176 15.237 1.00 0.00 C ATOM 0 HA PRO A 31 -5.965 7.643 13.986 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.050 5.836 16.058 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.363 7.530 16.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.330 5.278 16.013 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.343 6.567 17.199 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.876 6.636 14.918 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.322 8.089 15.727 1.00 0.00 H new ATOM 511 N VAL A 32 -6.552 5.773 12.186 1.00 0.00 N ATOM 512 CA VAL A 32 -6.312 4.630 11.306 1.00 0.00 C ATOM 513 C VAL A 32 -4.814 4.363 11.152 1.00 0.00 C ATOM 514 O VAL A 32 -4.013 5.297 11.084 1.00 0.00 O ATOM 515 CB VAL A 32 -6.934 4.845 9.908 1.00 0.00 C ATOM 516 CG1 VAL A 32 -6.809 3.582 9.067 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.392 5.266 10.024 1.00 0.00 C ATOM 0 H VAL A 32 -6.789 6.637 11.698 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.789 3.768 11.772 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.386 5.646 9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.253 3.753 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.756 3.326 8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.329 2.762 9.563 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.809 5.412 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.955 4.490 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.458 6.198 10.585 1.00 0.00 H new ATOM 527 N THR A 33 -4.445 3.083 11.097 1.00 0.00 N ATOM 528 CA THR A 33 -3.044 2.689 10.950 1.00 0.00 C ATOM 529 C THR A 33 -2.735 2.303 9.505 1.00 0.00 C ATOM 530 O THR A 33 -3.627 1.910 8.752 1.00 0.00 O ATOM 531 CB THR A 33 -2.706 1.522 11.886 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.599 1.474 12.986 1.00 0.00 O ATOM 533 CG2 THR A 33 -1.301 1.595 12.444 1.00 0.00 C ATOM 0 H THR A 33 -5.098 2.301 11.152 1.00 0.00 H new ATOM 0 HA THR A 33 -2.428 3.546 11.221 1.00 0.00 H new ATOM 0 HB THR A 33 -2.796 0.628 11.270 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.363 0.720 13.566 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.125 0.741 13.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.583 1.579 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.183 2.518 13.012 1.00 0.00 H new ATOM 541 N VAL A 34 -1.464 2.421 9.124 1.00 0.00 N ATOM 542 CA VAL A 34 -1.026 2.092 7.767 1.00 0.00 C ATOM 543 C VAL A 34 -1.360 0.645 7.397 1.00 0.00 C ATOM 544 O VAL A 34 -1.716 0.357 6.252 1.00 0.00 O ATOM 545 CB VAL A 34 0.485 2.341 7.597 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.303 1.384 8.450 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.894 2.250 6.133 1.00 0.00 C ATOM 0 H VAL A 34 -0.716 2.743 9.738 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.571 2.750 7.090 1.00 0.00 H new ATOM 0 HB VAL A 34 0.692 3.354 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.365 1.586 8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.045 1.522 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.086 0.357 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.965 2.430 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.659 1.257 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.351 2.998 5.556 1.00 0.00 H new ATOM 557 N GLY A 35 -1.266 -0.256 8.377 1.00 0.00 N ATOM 558 CA GLY A 35 -1.584 -1.651 8.136 1.00 0.00 C ATOM 559 C GLY A 35 -3.024 -1.837 7.691 1.00 0.00 C ATOM 560 O GLY A 35 -3.336 -2.780 6.963 1.00 0.00 O ATOM 0 H GLY A 35 -0.975 -0.042 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.915 -2.049 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.408 -2.225 9.046 1.00 0.00 H new ATOM 564 N ASP A 36 -3.897 -0.919 8.114 1.00 0.00 N ATOM 565 CA ASP A 36 -5.309 -0.972 7.741 1.00 0.00 C ATOM 566 C ASP A 36 -5.482 -0.571 6.277 1.00 0.00 C ATOM 567 O ASP A 36 -6.281 -1.165 5.550 1.00 0.00 O ATOM 568 CB ASP A 36 -6.142 -0.053 8.646 1.00 0.00 C ATOM 569 CG ASP A 36 -6.729 -0.785 9.838 1.00 0.00 C ATOM 570 OD1 ASP A 36 -5.982 -1.032 10.809 1.00 0.00 O ATOM 571 OD2 ASP A 36 -7.936 -1.109 9.803 1.00 0.00 O ATOM 0 H ASP A 36 -3.649 -0.132 8.714 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.663 -1.995 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.517 0.767 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.949 0.390 8.063 1.00 0.00 H new ATOM 576 N LEU A 37 -4.710 0.432 5.852 1.00 0.00 N ATOM 577 CA LEU A 37 -4.748 0.913 4.474 1.00 0.00 C ATOM 578 C LEU A 37 -4.500 -0.238 3.502 1.00 0.00 C ATOM 579 O LEU A 37 -5.277 -0.452 2.570 1.00 0.00 O ATOM 580 CB LEU A 37 -3.696 2.012 4.271 1.00 0.00 C ATOM 581 CG LEU A 37 -3.937 2.956 3.086 1.00 0.00 C ATOM 582 CD1 LEU A 37 -3.803 2.212 1.765 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.305 3.617 3.195 1.00 0.00 C ATOM 0 H LEU A 37 -4.048 0.928 6.449 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.736 1.328 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.641 2.609 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.723 1.538 4.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.177 3.736 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.978 2.902 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.799 1.795 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.535 1.406 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.456 4.282 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.080 2.851 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.359 4.192 4.120 1.00 0.00 H new ATOM 595 N ILE A 38 -3.418 -0.986 3.734 1.00 0.00 N ATOM 596 CA ILE A 38 -3.081 -2.125 2.880 1.00 0.00 C ATOM 597 C ILE A 38 -4.197 -3.166 2.907 1.00 0.00 C ATOM 598 O ILE A 38 -4.576 -3.708 1.867 1.00 0.00 O ATOM 599 CB ILE A 38 -1.749 -2.796 3.297 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.637 -1.752 3.439 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.350 -3.864 2.282 1.00 0.00 C ATOM 602 CD1 ILE A 38 -0.445 -0.897 2.204 1.00 0.00 C ATOM 0 H ILE A 38 -2.765 -0.824 4.501 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.963 -1.734 1.869 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.895 -3.274 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.864 -1.105 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.300 -2.260 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.412 -4.326 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.129 -4.625 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.224 -3.405 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.358 -0.181 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.187 -1.533 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.368 -0.360 1.986 1.00 0.00 H new ATOM 614 N ASP A 39 -4.723 -3.435 4.106 1.00 0.00 N ATOM 615 CA ASP A 39 -5.803 -4.404 4.273 1.00 0.00 C ATOM 616 C ASP A 39 -6.997 -4.041 3.398 1.00 0.00 C ATOM 617 O ASP A 39 -7.586 -4.905 2.755 1.00 0.00 O ATOM 618 CB ASP A 39 -6.247 -4.479 5.740 1.00 0.00 C ATOM 619 CG ASP A 39 -6.562 -5.898 6.187 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.003 -6.709 5.344 1.00 0.00 O ATOM 621 OD2 ASP A 39 -6.372 -6.195 7.384 1.00 0.00 O ATOM 0 H ASP A 39 -4.416 -2.994 4.973 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.422 -5.378 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.461 -4.069 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.129 -3.854 5.881 1.00 0.00 H new ATOM 626 N HIS A 40 -7.345 -2.755 3.379 1.00 0.00 N ATOM 627 CA HIS A 40 -8.470 -2.274 2.581 1.00 0.00 C ATOM 628 C HIS A 40 -8.265 -2.571 1.097 1.00 0.00 C ATOM 629 O HIS A 40 -9.173 -3.063 0.427 1.00 0.00 O ATOM 630 CB HIS A 40 -8.670 -0.773 2.786 1.00 0.00 C ATOM 631 CG HIS A 40 -9.977 -0.267 2.254 1.00 0.00 C ATOM 632 ND1 HIS A 40 -11.177 -0.458 2.904 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.267 0.428 1.128 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.149 0.097 2.202 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.624 0.643 1.120 1.00 0.00 N ATOM 0 H HIS A 40 -6.863 -2.028 3.908 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.362 -2.803 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.608 -0.548 3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.856 -0.236 2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.563 0.753 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.196 0.103 2.468 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.141 1.143 0.397 1.00 0.00 H new ATOM 644 N ILE A 41 -7.066 -2.275 0.591 1.00 0.00 N ATOM 645 CA ILE A 41 -6.745 -2.520 -0.814 1.00 0.00 C ATOM 646 C ILE A 41 -6.893 -4.005 -1.157 1.00 0.00 C ATOM 647 O ILE A 41 -7.240 -4.359 -2.283 1.00 0.00 O ATOM 648 CB ILE A 41 -5.311 -2.058 -1.163 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.103 -0.592 -0.765 1.00 0.00 C ATOM 650 CG2 ILE A 41 -5.043 -2.246 -2.649 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.705 -0.077 -1.040 1.00 0.00 C ATOM 0 H ILE A 41 -6.304 -1.867 1.132 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.452 -1.938 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.606 -2.670 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.821 0.027 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.319 -0.479 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.030 -1.917 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.150 -3.299 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.757 -1.657 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.635 0.966 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.982 -0.670 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.491 -0.156 -2.106 1.00 0.00 H new ATOM 663 N VAL A 42 -6.628 -4.869 -0.177 1.00 0.00 N ATOM 664 CA VAL A 42 -6.730 -6.314 -0.371 1.00 0.00 C ATOM 665 C VAL A 42 -8.074 -6.868 0.130 1.00 0.00 C ATOM 666 O VAL A 42 -8.349 -8.060 -0.016 1.00 0.00 O ATOM 667 CB VAL A 42 -5.580 -7.047 0.354 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.601 -8.538 0.042 1.00 0.00 C ATOM 669 CG2 VAL A 42 -4.235 -6.436 -0.021 1.00 0.00 C ATOM 0 H VAL A 42 -6.340 -4.591 0.761 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.661 -6.492 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.725 -6.927 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.781 -9.031 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.549 -8.965 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.488 -8.687 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.437 -6.966 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.085 -6.520 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.220 -5.385 0.266 1.00 0.00 H new ATOM 679 N SER A 43 -8.903 -6.010 0.732 1.00 0.00 N ATOM 680 CA SER A 43 -10.195 -6.438 1.259 1.00 0.00 C ATOM 681 C SER A 43 -11.315 -6.251 0.236 1.00 0.00 C ATOM 682 O SER A 43 -11.866 -7.230 -0.266 1.00 0.00 O ATOM 683 CB SER A 43 -10.520 -5.678 2.550 1.00 0.00 C ATOM 684 OG SER A 43 -9.905 -6.288 3.673 1.00 0.00 O ATOM 0 H SER A 43 -8.700 -5.019 0.865 1.00 0.00 H new ATOM 0 HA SER A 43 -10.125 -7.503 1.479 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.181 -4.646 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.600 -5.648 2.695 1.00 0.00 H new ATOM 0 HG SER A 43 -8.962 -6.024 3.713 1.00 0.00 H new ATOM 690 N THR A 44 -11.657 -4.999 -0.066 1.00 0.00 N ATOM 691 CA THR A 44 -12.721 -4.712 -1.035 1.00 0.00 C ATOM 692 C THR A 44 -12.145 -4.346 -2.401 1.00 0.00 C ATOM 693 O THR A 44 -12.657 -4.779 -3.434 1.00 0.00 O ATOM 694 CB THR A 44 -13.634 -3.588 -0.533 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.940 -2.713 0.346 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.863 -4.098 0.191 1.00 0.00 C ATOM 0 H THR A 44 -11.219 -4.172 0.340 1.00 0.00 H new ATOM 0 HA THR A 44 -13.313 -5.621 -1.144 1.00 0.00 H new ATOM 0 HB THR A 44 -13.952 -3.058 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.546 -2.005 0.649 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.468 -3.253 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.449 -4.723 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.558 -4.686 1.057 1.00 0.00 H new ATOM 704 N MET A 45 -11.078 -3.545 -2.400 1.00 0.00 N ATOM 705 CA MET A 45 -10.432 -3.118 -3.641 1.00 0.00 C ATOM 706 C MET A 45 -10.029 -4.321 -4.501 1.00 0.00 C ATOM 707 O MET A 45 -10.167 -4.288 -5.724 1.00 0.00 O ATOM 708 CB MET A 45 -9.204 -2.254 -3.329 1.00 0.00 C ATOM 709 CG MET A 45 -9.157 -0.953 -4.116 1.00 0.00 C ATOM 710 SD MET A 45 -7.558 -0.669 -4.899 1.00 0.00 S ATOM 711 CE MET A 45 -7.940 -1.067 -6.603 1.00 0.00 C ATOM 0 H MET A 45 -10.643 -3.179 -1.553 1.00 0.00 H new ATOM 0 HA MET A 45 -11.150 -2.525 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.193 -2.025 -2.263 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.303 -2.829 -3.540 1.00 0.00 H new ATOM 0 HG2 MET A 45 -9.934 -0.968 -4.881 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.383 -0.121 -3.449 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.075 -1.539 -7.069 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.788 -1.751 -6.636 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.190 -0.154 -7.143 1.00 0.00 H new ATOM 721 N ILE A 46 -9.531 -5.382 -3.854 1.00 0.00 N ATOM 722 CA ILE A 46 -9.112 -6.587 -4.565 1.00 0.00 C ATOM 723 C ILE A 46 -9.691 -7.841 -3.909 1.00 0.00 C ATOM 724 O ILE A 46 -9.574 -8.027 -2.697 1.00 0.00 O ATOM 725 CB ILE A 46 -7.575 -6.705 -4.609 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.953 -5.410 -5.137 1.00 0.00 C ATOM 727 CG2 ILE A 46 -7.154 -7.888 -5.469 1.00 0.00 C ATOM 728 CD1 ILE A 46 -5.459 -5.323 -4.918 1.00 0.00 C ATOM 0 H ILE A 46 -9.410 -5.427 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.492 -6.505 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.214 -6.872 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.161 -5.325 -6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.433 -4.561 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.066 -7.955 -5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.567 -8.806 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.527 -7.751 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.087 -4.379 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.244 -5.376 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.968 -6.151 -5.428 1.00 0.00 H new ATOM 740 N ASN A 47 -10.310 -8.701 -4.721 1.00 0.00 N ATOM 741 CA ASN A 47 -10.904 -9.942 -4.223 1.00 0.00 C ATOM 742 C ASN A 47 -10.737 -11.076 -5.239 1.00 0.00 C ATOM 743 O ASN A 47 -11.708 -11.745 -5.600 1.00 0.00 O ATOM 744 CB ASN A 47 -12.394 -9.735 -3.919 1.00 0.00 C ATOM 745 CG ASN A 47 -12.635 -9.006 -2.610 1.00 0.00 C ATOM 746 OD1 ASN A 47 -13.175 -7.901 -2.595 1.00 0.00 O ATOM 747 ND2 ASN A 47 -12.237 -9.622 -1.502 1.00 0.00 N ATOM 0 H ASN A 47 -10.413 -8.560 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.385 -10.218 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -12.850 -9.171 -4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.891 -10.705 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.375 -9.178 -0.594 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.793 -10.539 -1.559 1.00 0.00 H new ATOM 754 N ASN A 48 -9.505 -11.290 -5.707 1.00 0.00 N ATOM 755 CA ASN A 48 -9.235 -12.341 -6.686 1.00 0.00 C ATOM 756 C ASN A 48 -7.889 -13.016 -6.429 1.00 0.00 C ATOM 757 O ASN A 48 -6.850 -12.354 -6.426 1.00 0.00 O ATOM 758 CB ASN A 48 -9.262 -11.760 -8.102 1.00 0.00 C ATOM 759 CG ASN A 48 -9.706 -12.777 -9.135 1.00 0.00 C ATOM 760 OD1 ASN A 48 -10.897 -13.045 -9.286 1.00 0.00 O ATOM 761 ND2 ASN A 48 -8.747 -13.354 -9.851 1.00 0.00 N ATOM 0 H ASN A 48 -8.685 -10.753 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.015 -13.096 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.935 -10.903 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.269 -11.393 -8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.987 -14.049 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.771 -13.102 -9.693 1.00 0.00 H new ATOM 768 N PRO A 49 -7.888 -14.351 -6.210 1.00 0.00 N ATOM 769 CA PRO A 49 -6.660 -15.120 -5.955 1.00 0.00 C ATOM 770 C PRO A 49 -5.703 -15.094 -7.147 1.00 0.00 C ATOM 771 O PRO A 49 -5.571 -16.080 -7.878 1.00 0.00 O ATOM 772 CB PRO A 49 -7.165 -16.548 -5.700 1.00 0.00 C ATOM 773 CG PRO A 49 -8.613 -16.399 -5.391 1.00 0.00 C ATOM 774 CD PRO A 49 -9.079 -15.218 -6.192 1.00 0.00 C ATOM 0 HA PRO A 49 -6.091 -14.707 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.012 -17.182 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.631 -17.013 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.166 -17.299 -5.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.771 -16.236 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.386 -15.506 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.933 -14.724 -5.727 1.00 0.00 H new ATOM 782 N ASN A 50 -5.045 -13.954 -7.335 1.00 0.00 N ATOM 783 CA ASN A 50 -4.098 -13.767 -8.429 1.00 0.00 C ATOM 784 C ASN A 50 -3.284 -12.494 -8.215 1.00 0.00 C ATOM 785 O ASN A 50 -2.058 -12.542 -8.126 1.00 0.00 O ATOM 786 CB ASN A 50 -4.831 -13.703 -9.773 1.00 0.00 C ATOM 787 CG ASN A 50 -4.076 -14.422 -10.875 1.00 0.00 C ATOM 788 OD1 ASN A 50 -3.706 -13.820 -11.883 1.00 0.00 O ATOM 789 ND2 ASN A 50 -3.842 -15.716 -10.688 1.00 0.00 N ATOM 0 H ASN A 50 -5.153 -13.136 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.420 -14.620 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.821 -14.145 -9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.977 -12.660 -10.056 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.337 -16.250 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.167 -16.175 -9.837 1.00 0.00 H new ATOM 796 N ASP A 51 -3.977 -11.358 -8.111 1.00 0.00 N ATOM 797 CA ASP A 51 -3.320 -10.072 -7.885 1.00 0.00 C ATOM 798 C ASP A 51 -2.959 -9.902 -6.412 1.00 0.00 C ATOM 799 O ASP A 51 -1.914 -9.339 -6.081 1.00 0.00 O ATOM 800 CB ASP A 51 -4.201 -8.896 -8.350 1.00 0.00 C ATOM 801 CG ASP A 51 -5.690 -9.069 -8.077 1.00 0.00 C ATOM 802 OD1 ASP A 51 -6.059 -9.916 -7.240 1.00 0.00 O ATOM 803 OD2 ASP A 51 -6.489 -8.341 -8.698 1.00 0.00 O ATOM 0 H ASP A 51 -4.993 -11.304 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.406 -10.066 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.858 -7.986 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.056 -8.752 -9.421 1.00 0.00 H new ATOM 808 N VAL A 52 -3.824 -10.396 -5.528 1.00 0.00 N ATOM 809 CA VAL A 52 -3.585 -10.298 -4.094 1.00 0.00 C ATOM 810 C VAL A 52 -2.783 -11.499 -3.590 1.00 0.00 C ATOM 811 O VAL A 52 -1.952 -11.361 -2.693 1.00 0.00 O ATOM 812 CB VAL A 52 -4.916 -10.176 -3.318 1.00 0.00 C ATOM 813 CG1 VAL A 52 -4.834 -10.842 -1.954 1.00 0.00 C ATOM 814 CG2 VAL A 52 -5.306 -8.715 -3.175 1.00 0.00 C ATOM 0 H VAL A 52 -4.693 -10.866 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.000 -9.395 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.685 -10.696 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.789 -10.735 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.606 -11.900 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.049 -10.369 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.245 -8.641 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.526 -8.182 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.427 -8.272 -4.164 1.00 0.00 H new ATOM 824 N SER A 53 -3.033 -12.674 -4.176 1.00 0.00 N ATOM 825 CA SER A 53 -2.326 -13.895 -3.791 1.00 0.00 C ATOM 826 C SER A 53 -0.811 -13.703 -3.871 1.00 0.00 C ATOM 827 O SER A 53 -0.068 -14.239 -3.049 1.00 0.00 O ATOM 828 CB SER A 53 -2.748 -15.062 -4.686 1.00 0.00 C ATOM 829 OG SER A 53 -3.913 -15.696 -4.186 1.00 0.00 O ATOM 0 H SER A 53 -3.720 -12.803 -4.919 1.00 0.00 H new ATOM 0 HA SER A 53 -2.591 -14.122 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.933 -14.700 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.936 -15.786 -4.751 1.00 0.00 H new ATOM 0 HG SER A 53 -4.162 -16.437 -4.777 1.00 0.00 H new ATOM 835 N ILE A 54 -0.358 -12.936 -4.865 1.00 0.00 N ATOM 836 CA ILE A 54 1.070 -12.676 -5.044 1.00 0.00 C ATOM 837 C ILE A 54 1.537 -11.515 -4.161 1.00 0.00 C ATOM 838 O ILE A 54 2.640 -11.551 -3.612 1.00 0.00 O ATOM 839 CB ILE A 54 1.416 -12.371 -6.521 1.00 0.00 C ATOM 840 CG1 ILE A 54 0.809 -13.435 -7.443 1.00 0.00 C ATOM 841 CG2 ILE A 54 2.927 -12.304 -6.713 1.00 0.00 C ATOM 842 CD1 ILE A 54 0.777 -13.030 -8.902 1.00 0.00 C ATOM 0 H ILE A 54 -0.958 -12.486 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 54 1.593 -13.584 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 54 0.991 -11.402 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.381 -14.358 -7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.207 -13.652 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.152 -12.089 -7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.339 -11.516 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.372 -13.260 -6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.335 -13.832 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.181 -12.125 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.793 -12.841 -9.250 1.00 0.00 H new ATOM 854 N PHE A 55 0.691 -10.492 -4.022 1.00 0.00 N ATOM 855 CA PHE A 55 1.017 -9.326 -3.198 1.00 0.00 C ATOM 856 C PHE A 55 1.091 -9.705 -1.714 1.00 0.00 C ATOM 857 O PHE A 55 1.964 -9.224 -0.986 1.00 0.00 O ATOM 858 CB PHE A 55 -0.024 -8.220 -3.411 1.00 0.00 C ATOM 859 CG PHE A 55 0.434 -6.855 -2.973 1.00 0.00 C ATOM 860 CD1 PHE A 55 1.140 -6.036 -3.839 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.153 -6.388 -1.697 1.00 0.00 C ATOM 862 CE1 PHE A 55 1.558 -4.780 -3.443 1.00 0.00 C ATOM 863 CE2 PHE A 55 0.569 -5.132 -1.296 1.00 0.00 C ATOM 864 CZ PHE A 55 1.272 -4.327 -2.171 1.00 0.00 C ATOM 0 H PHE A 55 -0.225 -10.447 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 55 1.996 -8.956 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.287 -8.182 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.931 -8.480 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.366 -6.384 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.397 -7.013 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.108 -4.153 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.345 -4.781 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.597 -3.345 -1.860 1.00 0.00 H new ATOM 874 N ILE A 56 0.169 -10.567 -1.274 1.00 0.00 N ATOM 875 CA ILE A 56 0.123 -11.012 0.119 1.00 0.00 C ATOM 876 C ILE A 56 0.132 -12.542 0.209 1.00 0.00 C ATOM 877 O ILE A 56 -0.800 -13.205 -0.251 1.00 0.00 O ATOM 878 CB ILE A 56 -1.132 -10.472 0.845 1.00 0.00 C ATOM 879 CG1 ILE A 56 -1.255 -8.953 0.664 1.00 0.00 C ATOM 880 CG2 ILE A 56 -1.092 -10.833 2.325 1.00 0.00 C ATOM 881 CD1 ILE A 56 -0.157 -8.161 1.346 1.00 0.00 C ATOM 0 H ILE A 56 -0.557 -10.971 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 56 1.013 -10.615 0.607 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.010 -10.940 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.247 -8.722 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.220 -8.628 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.983 -10.445 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.060 -11.917 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.204 -10.396 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.314 -7.097 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.177 -8.360 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.810 -8.456 0.940 1.00 0.00 H new ATOM 893 N GLU A 57 1.191 -13.090 0.810 1.00 0.00 N ATOM 894 CA GLU A 57 1.331 -14.538 0.973 1.00 0.00 C ATOM 895 C GLU A 57 1.301 -14.919 2.453 1.00 0.00 C ATOM 896 O GLU A 57 2.007 -14.321 3.267 1.00 0.00 O ATOM 897 CB GLU A 57 2.641 -15.013 0.336 1.00 0.00 C ATOM 898 CG GLU A 57 2.560 -16.403 -0.278 1.00 0.00 C ATOM 899 CD GLU A 57 3.830 -16.797 -1.012 1.00 0.00 C ATOM 900 OE1 GLU A 57 4.930 -16.631 -0.439 1.00 0.00 O ATOM 901 OE2 GLU A 57 3.726 -17.271 -2.162 1.00 0.00 O ATOM 0 H GLU A 57 1.967 -12.550 1.193 1.00 0.00 H new ATOM 0 HA GLU A 57 0.493 -15.025 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.937 -14.302 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.425 -15.006 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.359 -17.131 0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.719 -16.441 -0.970 1.00 0.00 H new ATOM 908 N ASP A 58 0.476 -15.914 2.796 1.00 0.00 N ATOM 909 CA ASP A 58 0.343 -16.374 4.182 1.00 0.00 C ATOM 910 C ASP A 58 -0.109 -15.225 5.086 1.00 0.00 C ATOM 911 O ASP A 58 0.416 -15.039 6.186 1.00 0.00 O ATOM 912 CB ASP A 58 1.666 -16.965 4.692 1.00 0.00 C ATOM 913 CG ASP A 58 2.098 -18.190 3.909 1.00 0.00 C ATOM 914 OD1 ASP A 58 2.675 -18.021 2.814 1.00 0.00 O ATOM 915 OD2 ASP A 58 1.858 -19.318 4.389 1.00 0.00 O ATOM 0 H ASP A 58 -0.111 -16.417 2.131 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.414 -17.158 4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.446 -16.206 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.560 -17.230 5.744 1.00 0.00 H new ATOM 920 N ASP A 59 -1.088 -14.452 4.605 1.00 0.00 N ATOM 921 CA ASP A 59 -1.623 -13.311 5.351 1.00 0.00 C ATOM 922 C ASP A 59 -0.517 -12.314 5.723 1.00 0.00 C ATOM 923 O ASP A 59 -0.574 -11.670 6.773 1.00 0.00 O ATOM 924 CB ASP A 59 -2.349 -13.796 6.611 1.00 0.00 C ATOM 925 CG ASP A 59 -3.815 -14.104 6.361 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.480 -13.316 5.655 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.297 -15.136 6.872 1.00 0.00 O ATOM 0 H ASP A 59 -1.528 -14.598 3.696 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.334 -12.793 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.854 -14.690 6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.269 -13.035 7.387 1.00 0.00 H new ATOM 932 N SER A 60 0.488 -12.186 4.853 1.00 0.00 N ATOM 933 CA SER A 60 1.598 -11.267 5.091 1.00 0.00 C ATOM 934 C SER A 60 2.241 -10.836 3.774 1.00 0.00 C ATOM 935 O SER A 60 2.242 -11.589 2.800 1.00 0.00 O ATOM 936 CB SER A 60 2.644 -11.919 6.001 1.00 0.00 C ATOM 937 OG SER A 60 3.261 -10.955 6.839 1.00 0.00 O ATOM 0 H SER A 60 0.554 -12.708 3.979 1.00 0.00 H new ATOM 0 HA SER A 60 1.203 -10.380 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.171 -12.688 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.401 -12.416 5.394 1.00 0.00 H new ATOM 0 HG SER A 60 3.923 -11.395 7.412 1.00 0.00 H new ATOM 943 N ILE A 61 2.783 -9.618 3.751 1.00 0.00 N ATOM 944 CA ILE A 61 3.425 -9.090 2.548 1.00 0.00 C ATOM 945 C ILE A 61 4.692 -9.874 2.213 1.00 0.00 C ATOM 946 O ILE A 61 5.347 -10.425 3.100 1.00 0.00 O ATOM 947 CB ILE A 61 3.778 -7.591 2.692 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.552 -6.792 3.139 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.308 -7.043 1.374 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.725 -6.114 4.482 1.00 0.00 C ATOM 0 H ILE A 61 2.790 -8.981 4.548 1.00 0.00 H new ATOM 0 HA ILE A 61 2.705 -9.200 1.737 1.00 0.00 H new ATOM 0 HB ILE A 61 4.554 -7.492 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.328 -6.036 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.692 -7.460 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.552 -5.987 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.204 -7.593 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.548 -7.156 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.816 -5.567 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.919 -6.866 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.565 -5.420 4.434 1.00 0.00 H new ATOM 962 N ARG A 62 5.030 -9.917 0.927 1.00 0.00 N ATOM 963 CA ARG A 62 6.219 -10.632 0.470 1.00 0.00 C ATOM 964 C ARG A 62 7.425 -9.695 0.390 1.00 0.00 C ATOM 965 O ARG A 62 7.337 -8.614 -0.196 1.00 0.00 O ATOM 966 CB ARG A 62 5.967 -11.275 -0.898 1.00 0.00 C ATOM 967 CG ARG A 62 6.622 -12.638 -1.061 1.00 0.00 C ATOM 968 CD ARG A 62 6.638 -13.082 -2.515 1.00 0.00 C ATOM 969 NE ARG A 62 7.154 -14.444 -2.670 1.00 0.00 N ATOM 970 CZ ARG A 62 7.562 -14.961 -3.833 1.00 0.00 C ATOM 971 NH1 ARG A 62 7.507 -14.240 -4.949 1.00 0.00 N ATOM 972 NH2 ARG A 62 8.024 -16.206 -3.880 1.00 0.00 N ATOM 0 H ARG A 62 4.498 -9.466 0.183 1.00 0.00 H new ATOM 0 HA ARG A 62 6.437 -11.416 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.892 -11.377 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.337 -10.608 -1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.643 -12.599 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.086 -13.374 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.628 -13.029 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.251 -12.394 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 62 7.205 -15.034 -1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.151 -13.284 -4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.821 -14.643 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.067 -16.766 -3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.336 -16.601 -4.767 1.00 0.00 H new ATOM 986 N PRO A 63 8.570 -10.101 0.980 1.00 0.00 N ATOM 987 CA PRO A 63 9.800 -9.294 0.972 1.00 0.00 C ATOM 988 C PRO A 63 10.224 -8.897 -0.440 1.00 0.00 C ATOM 989 O PRO A 63 10.501 -9.757 -1.280 1.00 0.00 O ATOM 990 CB PRO A 63 10.844 -10.222 1.601 1.00 0.00 C ATOM 991 CG PRO A 63 10.056 -11.175 2.430 1.00 0.00 C ATOM 992 CD PRO A 63 8.756 -11.376 1.703 1.00 0.00 C ATOM 0 HA PRO A 63 9.671 -8.353 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.420 -10.745 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.555 -9.663 2.209 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.587 -12.120 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.887 -10.775 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.805 -12.223 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.935 -11.571 2.393 1.00 0.00 H new ATOM 1000 N GLY A 64 10.266 -7.590 -0.694 1.00 0.00 N ATOM 1001 CA GLY A 64 10.650 -7.094 -2.006 1.00 0.00 C ATOM 1002 C GLY A 64 9.984 -5.773 -2.347 1.00 0.00 C ATOM 1003 O GLY A 64 10.604 -4.899 -2.958 1.00 0.00 O ATOM 0 H GLY A 64 10.040 -6.865 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.732 -6.971 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.388 -7.835 -2.762 1.00 0.00 H new ATOM 1007 N ILE A 65 8.719 -5.626 -1.948 1.00 0.00 N ATOM 1008 CA ILE A 65 7.968 -4.401 -2.209 1.00 0.00 C ATOM 1009 C ILE A 65 8.439 -3.274 -1.293 1.00 0.00 C ATOM 1010 O ILE A 65 8.507 -3.437 -0.073 1.00 0.00 O ATOM 1011 CB ILE A 65 6.445 -4.603 -2.020 1.00 0.00 C ATOM 1012 CG1 ILE A 65 5.958 -5.832 -2.797 1.00 0.00 C ATOM 1013 CG2 ILE A 65 5.682 -3.361 -2.464 1.00 0.00 C ATOM 1014 CD1 ILE A 65 4.667 -6.413 -2.260 1.00 0.00 C ATOM 0 H ILE A 65 8.195 -6.341 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 65 8.154 -4.134 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 65 6.254 -4.769 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.817 -5.559 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.732 -6.599 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.613 -3.521 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.002 -2.506 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.885 -3.167 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.382 -7.279 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.809 -6.718 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.880 -5.661 -2.313 1.00 0.00 H new ATOM 1026 N ILE A 66 8.770 -2.135 -1.894 1.00 0.00 N ATOM 1027 CA ILE A 66 9.243 -0.975 -1.149 1.00 0.00 C ATOM 1028 C ILE A 66 8.141 0.077 -1.012 1.00 0.00 C ATOM 1029 O ILE A 66 7.539 0.486 -2.006 1.00 0.00 O ATOM 1030 CB ILE A 66 10.473 -0.344 -1.836 1.00 0.00 C ATOM 1031 CG1 ILE A 66 11.630 -1.350 -1.889 1.00 0.00 C ATOM 1032 CG2 ILE A 66 10.903 0.929 -1.117 1.00 0.00 C ATOM 1033 CD1 ILE A 66 12.138 -1.774 -0.525 1.00 0.00 C ATOM 0 H ILE A 66 8.718 -1.991 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 66 9.528 -1.320 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 66 10.196 -0.079 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.304 -2.235 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.454 -0.912 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.771 1.355 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.085 1.649 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.161 0.694 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.955 -2.485 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.496 -0.899 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.329 -2.243 0.035 1.00 0.00 H new ATOM 1045 N THR A 67 7.884 0.510 0.224 1.00 0.00 N ATOM 1046 CA THR A 67 6.855 1.515 0.487 1.00 0.00 C ATOM 1047 C THR A 67 7.444 2.741 1.187 1.00 0.00 C ATOM 1048 O THR A 67 8.219 2.612 2.137 1.00 0.00 O ATOM 1049 CB THR A 67 5.727 0.926 1.345 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.546 -0.456 1.077 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.396 1.613 1.129 1.00 0.00 C ATOM 0 H THR A 67 8.374 0.181 1.056 1.00 0.00 H new ATOM 0 HA THR A 67 6.448 1.825 -0.475 1.00 0.00 H new ATOM 0 HB THR A 67 6.042 1.083 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.714 -0.586 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.640 1.150 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.486 2.669 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.101 1.515 0.084 1.00 0.00 H new ATOM 1059 N LEU A 68 7.063 3.930 0.714 1.00 0.00 N ATOM 1060 CA LEU A 68 7.544 5.183 1.293 1.00 0.00 C ATOM 1061 C LEU A 68 6.414 5.910 2.021 1.00 0.00 C ATOM 1062 O LEU A 68 5.603 6.598 1.396 1.00 0.00 O ATOM 1063 CB LEU A 68 8.131 6.091 0.202 1.00 0.00 C ATOM 1064 CG LEU A 68 9.656 6.043 0.051 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.333 6.795 1.187 1.00 0.00 C ATOM 1066 CD2 LEU A 68 10.148 4.604 -0.006 1.00 0.00 C ATOM 0 H LEU A 68 6.422 4.050 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 68 8.327 4.944 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.680 5.820 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.837 7.119 0.413 1.00 0.00 H new ATOM 0 HG LEU A 68 9.919 6.531 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.415 6.748 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.011 7.836 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.059 6.340 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.233 4.594 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.870 4.088 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.695 4.098 -0.858 1.00 0.00 H new ATOM 1078 N ILE A 69 6.367 5.754 3.343 1.00 0.00 N ATOM 1079 CA ILE A 69 5.339 6.399 4.156 1.00 0.00 C ATOM 1080 C ILE A 69 5.712 7.853 4.435 1.00 0.00 C ATOM 1081 O ILE A 69 6.559 8.130 5.286 1.00 0.00 O ATOM 1082 CB ILE A 69 5.126 5.670 5.501 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.001 4.158 5.291 1.00 0.00 C ATOM 1084 CG2 ILE A 69 3.892 6.211 6.204 1.00 0.00 C ATOM 1085 CD1 ILE A 69 4.956 3.372 6.585 1.00 0.00 C ATOM 0 H ILE A 69 7.029 5.187 3.873 1.00 0.00 H new ATOM 0 HA ILE A 69 4.411 6.355 3.587 1.00 0.00 H new ATOM 0 HB ILE A 69 5.997 5.854 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.097 3.952 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.844 3.811 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.754 5.688 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.019 7.277 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.017 6.056 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.867 2.309 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.871 3.549 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.097 3.692 7.175 1.00 0.00 H new ATOM 1097 N ASN A 70 5.081 8.777 3.707 1.00 0.00 N ATOM 1098 CA ASN A 70 5.352 10.207 3.865 1.00 0.00 C ATOM 1099 C ASN A 70 6.832 10.504 3.627 1.00 0.00 C ATOM 1100 O ASN A 70 7.476 11.187 4.424 1.00 0.00 O ATOM 1101 CB ASN A 70 4.934 10.684 5.260 1.00 0.00 C ATOM 1102 CG ASN A 70 3.437 10.880 5.386 1.00 0.00 C ATOM 1103 OD1 ASN A 70 2.649 10.202 4.726 1.00 0.00 O ATOM 1104 ND2 ASN A 70 3.035 11.812 6.243 1.00 0.00 N ATOM 0 H ASN A 70 4.378 8.560 3.001 1.00 0.00 H new ATOM 0 HA ASN A 70 4.766 10.748 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.265 9.958 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.440 11.623 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.039 11.989 6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.722 12.351 6.770 1.00 0.00 H new ATOM 1111 N ASP A 71 7.365 9.973 2.526 1.00 0.00 N ATOM 1112 CA ASP A 71 8.771 10.164 2.174 1.00 0.00 C ATOM 1113 C ASP A 71 9.698 9.565 3.239 1.00 0.00 C ATOM 1114 O ASP A 71 10.799 10.069 3.474 1.00 0.00 O ATOM 1115 CB ASP A 71 9.076 11.655 1.979 1.00 0.00 C ATOM 1116 CG ASP A 71 10.117 11.905 0.903 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.148 11.144 -0.090 1.00 0.00 O ATOM 1118 OD2 ASP A 71 10.902 12.865 1.049 1.00 0.00 O ATOM 0 H ASP A 71 6.841 9.405 1.860 1.00 0.00 H new ATOM 0 HA ASP A 71 8.955 9.641 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.156 12.178 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.425 12.076 2.922 1.00 0.00 H new ATOM 1123 N THR A 72 9.247 8.481 3.873 1.00 0.00 N ATOM 1124 CA THR A 72 10.031 7.803 4.902 1.00 0.00 C ATOM 1125 C THR A 72 10.123 6.308 4.597 1.00 0.00 C ATOM 1126 O THR A 72 9.350 5.785 3.793 1.00 0.00 O ATOM 1127 CB THR A 72 9.410 8.027 6.289 1.00 0.00 C ATOM 1128 OG1 THR A 72 8.829 9.319 6.388 1.00 0.00 O ATOM 1129 CG2 THR A 72 10.405 7.891 7.421 1.00 0.00 C ATOM 0 H THR A 72 8.339 8.054 3.689 1.00 0.00 H new ATOM 0 HA THR A 72 11.037 8.223 4.903 1.00 0.00 H new ATOM 0 HB THR A 72 8.655 7.247 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.910 9.291 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.900 8.061 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.832 6.888 7.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.201 8.625 7.296 1.00 0.00 H new ATOM 1137 N ASP A 73 11.075 5.626 5.231 1.00 0.00 N ATOM 1138 CA ASP A 73 11.267 4.194 5.009 1.00 0.00 C ATOM 1139 C ASP A 73 10.254 3.361 5.791 1.00 0.00 C ATOM 1140 O ASP A 73 10.013 3.607 6.974 1.00 0.00 O ATOM 1141 CB ASP A 73 12.689 3.783 5.401 1.00 0.00 C ATOM 1142 CG ASP A 73 13.599 3.621 4.201 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.842 4.626 3.500 1.00 0.00 O ATOM 1144 OD2 ASP A 73 14.067 2.489 3.960 1.00 0.00 O ATOM 0 H ASP A 73 11.724 6.040 5.900 1.00 0.00 H new ATOM 0 HA ASP A 73 11.112 4.003 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.108 4.533 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.653 2.845 5.954 1.00 0.00 H new ATOM 1149 N TRP A 74 9.671 2.367 5.117 1.00 0.00 N ATOM 1150 CA TRP A 74 8.685 1.481 5.739 1.00 0.00 C ATOM 1151 C TRP A 74 9.273 0.789 6.968 1.00 0.00 C ATOM 1152 O TRP A 74 8.699 0.849 8.055 1.00 0.00 O ATOM 1153 CB TRP A 74 8.203 0.430 4.731 1.00 0.00 C ATOM 1154 CG TRP A 74 6.788 -0.014 4.956 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.669 0.767 4.927 1.00 0.00 C ATOM 1156 CD2 TRP A 74 6.339 -1.346 5.241 1.00 0.00 C ATOM 1157 NE1 TRP A 74 4.553 0.005 5.177 1.00 0.00 N ATOM 1158 CE2 TRP A 74 4.939 -1.296 5.373 1.00 0.00 C ATOM 1159 CE3 TRP A 74 6.987 -2.576 5.397 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 4.176 -2.426 5.653 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 6.228 -3.697 5.675 1.00 0.00 C ATOM 1162 CH2 TRP A 74 4.836 -3.615 5.800 1.00 0.00 C ATOM 0 H TRP A 74 9.865 2.155 4.138 1.00 0.00 H new ATOM 0 HA TRP A 74 7.837 2.088 6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.291 0.837 3.724 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.860 -0.438 4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.662 1.830 4.735 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.594 0.351 5.211 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.060 -2.648 5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.102 -2.366 5.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.717 -4.652 5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 74 4.271 -4.510 6.017 1.00 0.00 H new ATOM 1173 N GLU A 75 10.424 0.135 6.784 1.00 0.00 N ATOM 1174 CA GLU A 75 11.095 -0.570 7.878 1.00 0.00 C ATOM 1175 C GLU A 75 11.598 0.406 8.942 1.00 0.00 C ATOM 1176 O GLU A 75 11.558 0.102 10.136 1.00 0.00 O ATOM 1177 CB GLU A 75 12.257 -1.421 7.349 1.00 0.00 C ATOM 1178 CG GLU A 75 13.206 -0.678 6.417 1.00 0.00 C ATOM 1179 CD GLU A 75 14.593 -1.293 6.385 1.00 0.00 C ATOM 1180 OE1 GLU A 75 15.391 -1.009 7.303 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.879 -2.062 5.443 1.00 0.00 O ATOM 0 H GLU A 75 10.909 0.080 5.889 1.00 0.00 H new ATOM 0 HA GLU A 75 10.361 -1.230 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.825 -1.805 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.849 -2.283 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.791 -0.674 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.281 0.362 6.735 1.00 0.00 H new ATOM 1188 N LEU A 76 12.066 1.579 8.507 1.00 0.00 N ATOM 1189 CA LEU A 76 12.568 2.596 9.431 1.00 0.00 C ATOM 1190 C LEU A 76 11.501 2.958 10.462 1.00 0.00 C ATOM 1191 O LEU A 76 11.754 2.918 11.666 1.00 0.00 O ATOM 1192 CB LEU A 76 13.001 3.851 8.663 1.00 0.00 C ATOM 1193 CG LEU A 76 13.964 4.783 9.408 1.00 0.00 C ATOM 1194 CD1 LEU A 76 14.542 5.821 8.455 1.00 0.00 C ATOM 1195 CD2 LEU A 76 13.261 5.464 10.576 1.00 0.00 C ATOM 0 H LEU A 76 12.107 1.846 7.523 1.00 0.00 H new ATOM 0 HA LEU A 76 13.433 2.186 9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.473 3.540 7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.109 4.418 8.396 1.00 0.00 H new ATOM 0 HG LEU A 76 14.782 4.183 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.224 6.475 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.084 5.318 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.733 6.414 8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.963 6.120 11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.422 6.051 10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.895 4.708 11.271 1.00 0.00 H new ATOM 1207 N GLU A 77 10.306 3.304 9.981 1.00 0.00 N ATOM 1208 CA GLU A 77 9.198 3.666 10.865 1.00 0.00 C ATOM 1209 C GLU A 77 8.754 2.469 11.704 1.00 0.00 C ATOM 1210 O GLU A 77 8.381 2.623 12.867 1.00 0.00 O ATOM 1211 CB GLU A 77 8.017 4.201 10.049 1.00 0.00 C ATOM 1212 CG GLU A 77 8.313 5.513 9.332 1.00 0.00 C ATOM 1213 CD GLU A 77 7.762 6.728 10.059 1.00 0.00 C ATOM 1214 OE1 GLU A 77 7.750 6.723 11.309 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.346 7.687 9.376 1.00 0.00 O ATOM 0 H GLU A 77 10.081 3.341 8.987 1.00 0.00 H new ATOM 0 HA GLU A 77 9.547 4.448 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.727 3.452 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.164 4.344 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.392 5.623 9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.890 5.475 8.328 1.00 0.00 H new ATOM 1222 N GLY A 78 8.806 1.277 11.106 1.00 0.00 N ATOM 1223 CA GLY A 78 8.415 0.068 11.811 1.00 0.00 C ATOM 1224 C GLY A 78 7.312 -0.706 11.106 1.00 0.00 C ATOM 1225 O GLY A 78 6.470 -1.319 11.763 1.00 0.00 O ATOM 0 H GLY A 78 9.113 1.130 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.287 -0.577 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.081 0.332 12.814 1.00 0.00 H new ATOM 1229 N GLU A 79 7.319 -0.679 9.767 1.00 0.00 N ATOM 1230 CA GLU A 79 6.320 -1.380 8.958 1.00 0.00 C ATOM 1231 C GLU A 79 4.908 -0.849 9.228 1.00 0.00 C ATOM 1232 O GLU A 79 4.378 -0.063 8.442 1.00 0.00 O ATOM 1233 CB GLU A 79 6.383 -2.889 9.211 1.00 0.00 C ATOM 1234 CG GLU A 79 7.672 -3.531 8.720 1.00 0.00 C ATOM 1235 CD GLU A 79 8.317 -4.426 9.760 1.00 0.00 C ATOM 1236 OE1 GLU A 79 8.690 -3.915 10.837 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.450 -5.639 9.495 1.00 0.00 O ATOM 0 H GLU A 79 8.014 -0.173 9.219 1.00 0.00 H new ATOM 0 HA GLU A 79 6.552 -1.192 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.277 -3.075 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.537 -3.368 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.463 -4.115 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.376 -2.749 8.434 1.00 0.00 H new ATOM 1244 N LYS A 80 4.307 -1.275 10.341 1.00 0.00 N ATOM 1245 CA LYS A 80 2.963 -0.833 10.709 1.00 0.00 C ATOM 1246 C LYS A 80 2.991 0.109 11.919 1.00 0.00 C ATOM 1247 O LYS A 80 1.959 0.340 12.554 1.00 0.00 O ATOM 1248 CB LYS A 80 2.076 -2.042 11.014 1.00 0.00 C ATOM 1249 CG LYS A 80 0.625 -1.840 10.608 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.300 -2.849 11.272 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.169 -4.226 10.640 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.484 -4.919 10.533 1.00 0.00 N ATOM 0 H LYS A 80 4.731 -1.926 11.002 1.00 0.00 H new ATOM 0 HA LYS A 80 2.552 -0.283 9.862 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.473 -2.915 10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.121 -2.257 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.311 -0.831 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.537 -1.925 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.068 -2.912 12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.332 -2.507 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.271 -4.129 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.514 -4.834 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.349 -5.854 10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.893 -5.035 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.128 -4.352 9.945 1.00 0.00 H new ATOM 1266 N ASP A 81 4.169 0.655 12.232 1.00 0.00 N ATOM 1267 CA ASP A 81 4.319 1.571 13.361 1.00 0.00 C ATOM 1268 C ASP A 81 4.176 3.027 12.903 1.00 0.00 C ATOM 1269 O ASP A 81 4.988 3.887 13.256 1.00 0.00 O ATOM 1270 CB ASP A 81 5.678 1.352 14.042 1.00 0.00 C ATOM 1271 CG ASP A 81 5.591 1.417 15.555 1.00 0.00 C ATOM 1272 OD1 ASP A 81 5.584 2.540 16.102 1.00 0.00 O ATOM 1273 OD2 ASP A 81 5.532 0.345 16.193 1.00 0.00 O ATOM 0 H ASP A 81 5.032 0.477 11.718 1.00 0.00 H new ATOM 0 HA ASP A 81 3.528 1.364 14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.076 0.381 13.746 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.382 2.106 13.690 1.00 0.00 H new ATOM 1278 N TYR A 82 3.132 3.294 12.114 1.00 0.00 N ATOM 1279 CA TYR A 82 2.867 4.634 11.600 1.00 0.00 C ATOM 1280 C TYR A 82 1.360 4.895 11.532 1.00 0.00 C ATOM 1281 O TYR A 82 0.588 4.022 11.127 1.00 0.00 O ATOM 1282 CB TYR A 82 3.503 4.802 10.214 1.00 0.00 C ATOM 1283 CG TYR A 82 3.050 6.044 9.474 1.00 0.00 C ATOM 1284 CD1 TYR A 82 1.894 6.030 8.704 1.00 0.00 C ATOM 1285 CD2 TYR A 82 3.775 7.228 9.550 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.473 7.158 8.028 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.360 8.362 8.877 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.208 8.322 8.118 1.00 0.00 C ATOM 1289 OH TYR A 82 1.789 9.449 7.447 1.00 0.00 O ATOM 0 H TYR A 82 2.454 2.592 11.817 1.00 0.00 H new ATOM 0 HA TYR A 82 3.310 5.362 12.280 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.587 4.833 10.324 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.269 3.926 9.610 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.315 5.121 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.676 7.262 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.573 7.129 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.934 9.274 8.945 1.00 0.00 H new ATOM 0 HH TYR A 82 1.778 10.211 8.063 1.00 0.00 H new ATOM 1299 N ILE A 83 0.951 6.102 11.928 1.00 0.00 N ATOM 1300 CA ILE A 83 -0.461 6.483 11.918 1.00 0.00 C ATOM 1301 C ILE A 83 -0.832 7.176 10.607 1.00 0.00 C ATOM 1302 O ILE A 83 -0.153 8.110 10.179 1.00 0.00 O ATOM 1303 CB ILE A 83 -0.803 7.419 13.103 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -0.300 6.823 14.423 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -2.305 7.668 13.170 1.00 0.00 C ATOM 1306 CD1 ILE A 83 1.126 7.203 14.762 1.00 0.00 C ATOM 0 H ILE A 83 1.580 6.833 12.260 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.039 5.564 12.016 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.301 8.373 12.943 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.955 7.149 15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.374 5.737 14.372 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.527 8.328 14.009 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.638 8.135 12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.825 6.720 13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.410 6.744 15.709 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.793 6.852 13.974 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.203 8.287 14.847 1.00 0.00 H new ATOM 1318 N LEU A 84 -1.917 6.714 9.976 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.381 7.291 8.716 1.00 0.00 C ATOM 1320 C LEU A 84 -2.713 8.775 8.882 1.00 0.00 C ATOM 1321 O LEU A 84 -2.687 9.308 9.994 1.00 0.00 O ATOM 1322 CB LEU A 84 -3.606 6.528 8.192 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.306 5.188 7.504 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -4.575 4.593 6.907 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.240 5.355 6.427 1.00 0.00 C ATOM 0 H LEU A 84 -2.488 5.942 10.320 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.575 7.200 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.282 6.344 9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.136 7.168 7.487 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.924 4.501 8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.340 3.644 6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.306 4.426 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.988 5.282 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.046 4.392 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.590 6.063 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.322 5.729 6.879 1.00 0.00 H new ATOM 1337 N GLU A 85 -3.023 9.434 7.770 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.353 10.850 7.776 1.00 0.00 C ATOM 1339 C GLU A 85 -4.086 11.220 6.494 1.00 0.00 C ATOM 1340 O GLU A 85 -3.464 11.389 5.444 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.081 11.694 7.911 1.00 0.00 C ATOM 1342 CG GLU A 85 -2.190 12.806 8.939 1.00 0.00 C ATOM 1343 CD GLU A 85 -1.320 13.998 8.596 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -1.729 14.804 7.733 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -0.225 14.123 9.184 1.00 0.00 O ATOM 0 H GLU A 85 -3.052 9.003 6.846 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.001 11.053 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.250 11.042 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.841 12.130 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.229 13.127 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.904 12.421 9.918 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.410 11.328 6.583 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.238 11.671 5.422 1.00 0.00 C ATOM 1354 C ASP A 86 -5.599 12.797 4.610 1.00 0.00 C ATOM 1355 O ASP A 86 -5.615 13.957 5.019 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.659 12.070 5.853 1.00 0.00 C ATOM 1357 CG ASP A 86 -7.695 13.268 6.787 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.067 13.205 7.865 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -8.359 14.268 6.441 1.00 0.00 O ATOM 0 H ASP A 86 -5.935 11.184 7.445 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.306 10.784 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.250 12.294 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.133 11.221 6.346 1.00 0.00 H new ATOM 1364 N GLY A 87 -5.025 12.435 3.465 1.00 0.00 N ATOM 1365 CA GLY A 87 -4.371 13.414 2.613 1.00 0.00 C ATOM 1366 C GLY A 87 -2.854 13.290 2.642 1.00 0.00 C ATOM 1367 O GLY A 87 -2.145 14.271 2.414 1.00 0.00 O ATOM 0 H GLY A 87 -5.001 11.479 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.723 13.292 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.657 14.417 2.931 1.00 0.00 H new ATOM 1371 N ASP A 88 -2.357 12.079 2.923 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.917 11.829 2.983 1.00 0.00 C ATOM 1373 C ASP A 88 -0.396 11.285 1.649 1.00 0.00 C ATOM 1374 O ASP A 88 -1.175 11.025 0.729 1.00 0.00 O ATOM 1375 CB ASP A 88 -0.586 10.855 4.132 1.00 0.00 C ATOM 1376 CG ASP A 88 -1.254 9.494 3.988 1.00 0.00 C ATOM 1377 OD1 ASP A 88 -1.066 8.840 2.942 1.00 0.00 O ATOM 1378 OD2 ASP A 88 -1.954 9.076 4.932 1.00 0.00 O ATOM 0 H ASP A 88 -2.933 11.259 3.112 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.417 12.778 3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.494 10.717 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.893 11.303 5.077 1.00 0.00 H new ATOM 1383 N ILE A 89 0.926 11.121 1.550 1.00 0.00 N ATOM 1384 CA ILE A 89 1.554 10.614 0.328 1.00 0.00 C ATOM 1385 C ILE A 89 2.312 9.309 0.587 1.00 0.00 C ATOM 1386 O ILE A 89 3.110 9.217 1.523 1.00 0.00 O ATOM 1387 CB ILE A 89 2.531 11.651 -0.273 1.00 0.00 C ATOM 1388 CG1 ILE A 89 1.870 13.032 -0.362 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.014 11.200 -1.647 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.599 13.052 -1.188 1.00 0.00 C ATOM 0 H ILE A 89 1.582 11.332 2.302 1.00 0.00 H new ATOM 0 HA ILE A 89 0.749 10.424 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 89 3.395 11.727 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.643 13.381 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.582 13.738 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.700 11.943 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.527 10.243 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.160 11.091 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.191 14.063 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.822 12.735 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.131 12.373 -0.748 1.00 0.00 H new ATOM 1402 N ILE A 90 2.055 8.303 -0.253 1.00 0.00 N ATOM 1403 CA ILE A 90 2.708 6.999 -0.125 1.00 0.00 C ATOM 1404 C ILE A 90 3.227 6.499 -1.477 1.00 0.00 C ATOM 1405 O ILE A 90 2.693 6.857 -2.528 1.00 0.00 O ATOM 1406 CB ILE A 90 1.737 5.950 0.468 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.151 6.455 1.790 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.440 4.613 0.670 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.205 5.475 2.453 1.00 0.00 C ATOM 0 H ILE A 90 1.398 8.368 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 90 3.554 7.130 0.550 1.00 0.00 H new ATOM 0 HB ILE A 90 0.921 5.800 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.967 6.679 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.622 7.390 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.737 3.892 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.809 4.247 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.278 4.742 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.169 5.903 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.632 5.269 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.734 4.547 2.668 1.00 0.00 H new ATOM 1421 N SER A 91 4.270 5.666 -1.442 1.00 0.00 N ATOM 1422 CA SER A 91 4.855 5.113 -2.665 1.00 0.00 C ATOM 1423 C SER A 91 4.952 3.588 -2.587 1.00 0.00 C ATOM 1424 O SER A 91 4.982 3.016 -1.496 1.00 0.00 O ATOM 1425 CB SER A 91 6.245 5.707 -2.921 1.00 0.00 C ATOM 1426 OG SER A 91 6.397 6.966 -2.287 1.00 0.00 O ATOM 0 H SER A 91 4.726 5.360 -0.582 1.00 0.00 H new ATOM 0 HA SER A 91 4.198 5.380 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.008 5.020 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.403 5.817 -3.994 1.00 0.00 H new ATOM 0 HG SER A 91 7.294 7.317 -2.468 1.00 0.00 H new ATOM 1432 N PHE A 92 4.996 2.938 -3.752 1.00 0.00 N ATOM 1433 CA PHE A 92 5.086 1.479 -3.826 1.00 0.00 C ATOM 1434 C PHE A 92 5.959 1.037 -5.001 1.00 0.00 C ATOM 1435 O PHE A 92 5.540 1.108 -6.158 1.00 0.00 O ATOM 1436 CB PHE A 92 3.689 0.868 -3.963 1.00 0.00 C ATOM 1437 CG PHE A 92 2.988 0.665 -2.651 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.309 -0.410 -1.838 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.006 1.548 -2.232 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.665 -0.600 -0.632 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.359 1.364 -1.027 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.688 0.289 -0.225 1.00 0.00 C ATOM 0 H PHE A 92 4.971 3.402 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 92 5.547 1.126 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.080 1.515 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.770 -0.091 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.072 -1.107 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.744 2.390 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.924 -1.442 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.596 2.060 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.183 0.143 0.718 1.00 0.00 H new ATOM 1452 N THR A 93 7.173 0.578 -4.697 1.00 0.00 N ATOM 1453 CA THR A 93 8.105 0.121 -5.728 1.00 0.00 C ATOM 1454 C THR A 93 8.282 -1.398 -5.674 1.00 0.00 C ATOM 1455 O THR A 93 8.319 -1.989 -4.594 1.00 0.00 O ATOM 1456 CB THR A 93 9.466 0.808 -5.569 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.311 2.166 -5.186 1.00 0.00 O ATOM 1458 CG2 THR A 93 10.300 0.779 -6.833 1.00 0.00 C ATOM 0 H THR A 93 7.534 0.513 -3.745 1.00 0.00 H new ATOM 0 HA THR A 93 7.684 0.388 -6.697 1.00 0.00 H new ATOM 0 HB THR A 93 9.983 0.241 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.193 2.581 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.250 1.281 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.485 -0.255 -7.123 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.765 1.290 -7.634 1.00 0.00 H new ATOM 1466 N SER A 94 8.395 -2.021 -6.849 1.00 0.00 N ATOM 1467 CA SER A 94 8.574 -3.470 -6.946 1.00 0.00 C ATOM 1468 C SER A 94 9.924 -3.803 -7.581 1.00 0.00 C ATOM 1469 O SER A 94 10.064 -3.790 -8.806 1.00 0.00 O ATOM 1470 CB SER A 94 7.437 -4.087 -7.765 1.00 0.00 C ATOM 1471 OG SER A 94 7.689 -5.452 -8.057 1.00 0.00 O ATOM 0 H SER A 94 8.365 -1.542 -7.749 1.00 0.00 H new ATOM 0 HA SER A 94 8.553 -3.890 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.501 -3.998 -7.214 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.314 -3.532 -8.695 1.00 0.00 H new ATOM 0 HG SER A 94 6.945 -5.818 -8.579 1.00 0.00 H new ATOM 1477 N THR A 95 10.917 -4.095 -6.740 1.00 0.00 N ATOM 1478 CA THR A 95 12.260 -4.425 -7.220 1.00 0.00 C ATOM 1479 C THR A 95 12.294 -5.828 -7.833 1.00 0.00 C ATOM 1480 O THR A 95 12.486 -5.978 -9.040 1.00 0.00 O ATOM 1481 CB THR A 95 13.282 -4.311 -6.078 1.00 0.00 C ATOM 1482 OG1 THR A 95 12.955 -5.187 -5.008 1.00 0.00 O ATOM 1483 CG2 THR A 95 13.391 -2.908 -5.514 1.00 0.00 C ATOM 0 H THR A 95 10.817 -4.110 -5.725 1.00 0.00 H new ATOM 0 HA THR A 95 12.527 -3.710 -7.998 1.00 0.00 H new ATOM 0 HB THR A 95 14.239 -4.584 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.210 -4.811 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.129 -2.895 -4.712 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.700 -2.222 -6.303 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.423 -2.597 -5.122 1.00 0.00 H new