USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 83 SER OG : rot 180:sc=-0.00305 USER MOD Set 1.2: A 86 MET CE :methyl -125:sc= -0.301 (180deg=-2.71!) USER MOD Set 2.1: A 56 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.832) USER MOD Set 3.1: A 53 HIS :FLIP no HD1:sc= -5.02! C(o=-8.5!,f=-5.6!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.615 K(o=-5.6,f=-6.1) USER MOD Set 4.1: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 18 GLN : amide:sc= -2.17 K(o=-3.1,f=-4.5!) USER MOD Set 5.2: A 19 SER OG : rot 70:sc= -0.958 USER MOD Single : A 7 SER OG : rot -36:sc= 0.176 USER MOD Single : A 8 TYR OH : rot 39:sc= 0.452 USER MOD Single : A 13 THR OG1 : rot 85:sc= 1.16 USER MOD Single : A 14 MET CE :methyl -171:sc= -1.23 (180deg=-1.78!) USER MOD Single : A 21 GLN : amide:sc= -0.0612 K(o=-0.061,f=-1.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 27 SER OG : rot 169:sc= 0.116 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.354 USER MOD Single : A 34 SER OG : rot 170:sc= -1.58 USER MOD Single : A 35 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.6) USER MOD Single : A 49 ASN : amide:sc= -2.91! C(o=-2.9!,f=-7.1!) USER MOD Single : A 50 SER OG : rot -124:sc= 1.34 USER MOD Single : A 58 ASN : amide:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.758 F(o=-2!,f=-0.76) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -4.77! C(o=-4.8!,f=-8.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 82 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -1.568 12.430 5.248 1.00 0.00 N ATOM 89 CA SER A 7 -1.914 12.842 6.598 1.00 0.00 C ATOM 90 C SER A 7 -3.389 12.546 6.874 1.00 0.00 C ATOM 91 O SER A 7 -4.272 13.146 6.263 1.00 0.00 O ATOM 92 CB SER A 7 -1.623 14.329 6.812 1.00 0.00 C ATOM 93 OG SER A 7 -2.147 15.133 5.758 1.00 0.00 O ATOM 0 HA SER A 7 -1.299 12.274 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.053 14.650 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.546 14.481 6.883 1.00 0.00 H new ATOM 0 HG SER A 7 -2.059 14.655 4.907 1.00 0.00 H new ATOM 99 N TYR A 8 -3.611 11.620 7.796 1.00 0.00 N ATOM 100 CA TYR A 8 -4.964 11.236 8.160 1.00 0.00 C ATOM 101 C TYR A 8 -5.777 12.452 8.609 1.00 0.00 C ATOM 102 O TYR A 8 -6.968 12.548 8.318 1.00 0.00 O ATOM 103 CB TYR A 8 -4.825 10.268 9.337 1.00 0.00 C ATOM 104 CG TYR A 8 -5.044 8.800 8.965 1.00 0.00 C ATOM 105 CD1 TYR A 8 -3.976 8.024 8.564 1.00 0.00 C ATOM 106 CD2 TYR A 8 -6.309 8.253 9.030 1.00 0.00 C ATOM 107 CE1 TYR A 8 -4.182 6.642 8.213 1.00 0.00 C ATOM 108 CE2 TYR A 8 -6.515 6.871 8.680 1.00 0.00 C ATOM 109 CZ TYR A 8 -5.441 6.134 8.289 1.00 0.00 C ATOM 110 OH TYR A 8 -5.636 4.830 7.958 1.00 0.00 O ATOM 0 H TYR A 8 -2.876 11.125 8.302 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.478 10.789 7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.830 10.378 9.769 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.541 10.547 10.110 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.986 8.452 8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -7.145 8.861 9.343 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.355 6.023 7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.500 6.430 8.727 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.883 4.294 8.284 1.00 0.00 H new ATOM 120 N ILE A 9 -5.100 13.351 9.309 1.00 0.00 N ATOM 121 CA ILE A 9 -5.745 14.557 9.801 1.00 0.00 C ATOM 122 C ILE A 9 -6.697 15.093 8.730 1.00 0.00 C ATOM 123 O ILE A 9 -7.767 15.609 9.048 1.00 0.00 O ATOM 124 CB ILE A 9 -4.698 15.574 10.259 1.00 0.00 C ATOM 125 CG1 ILE A 9 -4.087 16.309 9.064 1.00 0.00 C ATOM 126 CG2 ILE A 9 -3.631 14.908 11.130 1.00 0.00 C ATOM 127 CD1 ILE A 9 -4.467 17.791 9.080 1.00 0.00 C ATOM 0 H ILE A 9 -4.112 13.268 9.547 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.348 14.336 10.682 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.196 16.322 10.876 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.002 16.208 9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.431 15.852 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.899 15.653 11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.101 14.470 12.011 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.131 14.126 10.559 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.020 18.290 8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.552 17.889 9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.100 18.251 9.998 1.00 0.00 H new ATOM 139 N ALA A 10 -6.272 14.954 7.482 1.00 0.00 N ATOM 140 CA ALA A 10 -7.074 15.418 6.363 1.00 0.00 C ATOM 141 C ALA A 10 -8.121 14.358 6.017 1.00 0.00 C ATOM 142 O ALA A 10 -9.316 14.650 5.979 1.00 0.00 O ATOM 143 CB ALA A 10 -6.159 15.742 5.180 1.00 0.00 C ATOM 0 H ALA A 10 -5.383 14.527 7.222 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.606 16.333 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.760 16.090 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.453 16.521 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.611 14.846 4.888 1.00 0.00 H new ATOM 149 N LEU A 11 -7.636 13.150 5.773 1.00 0.00 N ATOM 150 CA LEU A 11 -8.515 12.045 5.431 1.00 0.00 C ATOM 151 C LEU A 11 -9.691 12.014 6.409 1.00 0.00 C ATOM 152 O LEU A 11 -10.804 11.643 6.036 1.00 0.00 O ATOM 153 CB LEU A 11 -7.730 10.734 5.371 1.00 0.00 C ATOM 154 CG LEU A 11 -6.662 10.640 4.280 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.460 9.823 4.757 1.00 0.00 C ATOM 156 CD2 LEU A 11 -7.252 10.087 2.981 1.00 0.00 C ATOM 0 H LEU A 11 -6.645 12.912 5.805 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.932 12.185 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.249 10.577 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.437 9.916 5.231 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.302 11.647 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.716 9.772 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.022 10.299 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.785 8.815 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.472 10.030 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.657 9.091 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.049 10.745 2.634 1.00 0.00 H new ATOM 168 N ILE A 12 -9.406 12.408 7.641 1.00 0.00 N ATOM 169 CA ILE A 12 -10.426 12.429 8.675 1.00 0.00 C ATOM 170 C ILE A 12 -11.281 13.688 8.516 1.00 0.00 C ATOM 171 O ILE A 12 -12.506 13.626 8.603 1.00 0.00 O ATOM 172 CB ILE A 12 -9.789 12.290 10.059 1.00 0.00 C ATOM 173 CG1 ILE A 12 -9.039 10.962 10.186 1.00 0.00 C ATOM 174 CG2 ILE A 12 -10.833 12.466 11.164 1.00 0.00 C ATOM 175 CD1 ILE A 12 -9.971 9.778 9.920 1.00 0.00 C ATOM 0 H ILE A 12 -8.483 12.715 7.947 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.093 11.574 8.569 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.056 13.088 10.179 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.208 10.941 9.481 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.612 10.876 11.185 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.354 12.362 12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.283 13.455 11.085 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.607 11.706 11.058 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.413 8.847 10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.788 9.788 10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.377 9.854 8.912 1.00 0.00 H new ATOM 187 N THR A 13 -10.600 14.802 8.286 1.00 0.00 N ATOM 188 CA THR A 13 -11.282 16.073 8.114 1.00 0.00 C ATOM 189 C THR A 13 -12.485 15.912 7.183 1.00 0.00 C ATOM 190 O THR A 13 -13.567 16.423 7.467 1.00 0.00 O ATOM 191 CB THR A 13 -10.259 17.094 7.613 1.00 0.00 C ATOM 192 OG1 THR A 13 -9.646 17.585 8.803 1.00 0.00 O ATOM 193 CG2 THR A 13 -10.918 18.330 6.996 1.00 0.00 C ATOM 0 H THR A 13 -9.584 14.850 8.215 1.00 0.00 H new ATOM 0 HA THR A 13 -11.688 16.434 9.059 1.00 0.00 H new ATOM 0 HB THR A 13 -9.609 16.623 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.916 16.986 9.066 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.147 19.022 6.657 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.534 18.029 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.543 18.820 7.743 1.00 0.00 H new ATOM 201 N MET A 14 -12.255 15.199 6.090 1.00 0.00 N ATOM 202 CA MET A 14 -13.307 14.964 5.115 1.00 0.00 C ATOM 203 C MET A 14 -14.205 13.803 5.547 1.00 0.00 C ATOM 204 O MET A 14 -15.417 13.840 5.339 1.00 0.00 O ATOM 205 CB MET A 14 -12.681 14.647 3.755 1.00 0.00 C ATOM 206 CG MET A 14 -11.992 13.282 3.774 1.00 0.00 C ATOM 207 SD MET A 14 -10.926 13.116 2.351 1.00 0.00 S ATOM 208 CE MET A 14 -11.025 11.353 2.093 1.00 0.00 C ATOM 0 H MET A 14 -11.356 14.776 5.858 1.00 0.00 H new ATOM 0 HA MET A 14 -13.918 15.864 5.043 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.452 14.659 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 14 -11.958 15.420 3.494 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.410 13.172 4.689 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.739 12.488 3.774 1.00 0.00 H new ATOM 0 HE1 MET A 14 -10.294 11.054 1.342 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.816 10.836 3.030 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.026 11.091 1.749 1.00 0.00 H new ATOM 218 N ALA A 15 -13.576 12.799 6.140 1.00 0.00 N ATOM 219 CA ALA A 15 -14.303 11.629 6.602 1.00 0.00 C ATOM 220 C ALA A 15 -15.411 12.069 7.562 1.00 0.00 C ATOM 221 O ALA A 15 -16.469 11.444 7.622 1.00 0.00 O ATOM 222 CB ALA A 15 -13.327 10.645 7.251 1.00 0.00 C ATOM 0 H ALA A 15 -12.571 12.772 6.311 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.776 11.116 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.872 9.767 7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.577 10.341 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.836 11.125 8.098 1.00 0.00 H new ATOM 228 N ILE A 16 -15.130 13.141 8.287 1.00 0.00 N ATOM 229 CA ILE A 16 -16.090 13.672 9.241 1.00 0.00 C ATOM 230 C ILE A 16 -17.041 14.630 8.521 1.00 0.00 C ATOM 231 O ILE A 16 -18.259 14.501 8.631 1.00 0.00 O ATOM 232 CB ILE A 16 -15.368 14.303 10.433 1.00 0.00 C ATOM 233 CG1 ILE A 16 -14.551 13.258 11.195 1.00 0.00 C ATOM 234 CG2 ILE A 16 -16.353 15.037 11.345 1.00 0.00 C ATOM 235 CD1 ILE A 16 -15.465 12.303 11.966 1.00 0.00 C ATOM 0 H ILE A 16 -14.252 13.657 8.234 1.00 0.00 H new ATOM 0 HA ILE A 16 -16.699 12.869 9.656 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.666 15.046 10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.935 12.692 10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.872 13.756 11.887 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.814 15.476 12.184 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.852 15.826 10.782 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -17.096 14.333 11.720 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.859 11.570 12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.062 12.869 12.681 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.126 11.789 11.268 1.00 0.00 H new ATOM 247 N LEU A 17 -16.448 15.570 7.799 1.00 0.00 N ATOM 248 CA LEU A 17 -17.228 16.549 7.061 1.00 0.00 C ATOM 249 C LEU A 17 -18.195 15.824 6.123 1.00 0.00 C ATOM 250 O LEU A 17 -19.349 16.226 5.983 1.00 0.00 O ATOM 251 CB LEU A 17 -16.306 17.540 6.346 1.00 0.00 C ATOM 252 CG LEU A 17 -15.996 18.833 7.103 1.00 0.00 C ATOM 253 CD1 LEU A 17 -15.650 18.545 8.564 1.00 0.00 C ATOM 254 CD2 LEU A 17 -14.895 19.630 6.399 1.00 0.00 C ATOM 0 H LEU A 17 -15.437 15.674 7.710 1.00 0.00 H new ATOM 0 HA LEU A 17 -17.833 17.146 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.365 17.036 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.758 17.802 5.390 1.00 0.00 H new ATOM 0 HG LEU A 17 -16.893 19.452 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.434 19.482 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -16.493 18.052 9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.775 17.896 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.694 20.544 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.987 19.029 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.219 19.885 5.390 1.00 0.00 H new ATOM 266 N GLN A 18 -17.689 14.766 5.506 1.00 0.00 N ATOM 267 CA GLN A 18 -18.494 13.980 4.586 1.00 0.00 C ATOM 268 C GLN A 18 -19.916 13.821 5.128 1.00 0.00 C ATOM 269 O GLN A 18 -20.880 13.838 4.364 1.00 0.00 O ATOM 270 CB GLN A 18 -17.851 12.617 4.323 1.00 0.00 C ATOM 271 CG GLN A 18 -17.967 11.710 5.550 1.00 0.00 C ATOM 272 CD GLN A 18 -19.249 10.877 5.498 1.00 0.00 C ATOM 273 OE1 GLN A 18 -20.058 10.992 4.592 1.00 0.00 O ATOM 274 NE2 GLN A 18 -19.388 10.034 6.517 1.00 0.00 N ATOM 0 H GLN A 18 -16.732 14.435 5.625 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.546 14.510 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.333 12.142 3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.801 12.750 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.102 11.049 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.959 12.316 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.672 9.988 7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.210 9.433 6.573 1.00 0.00 H new ATOM 283 N SER A 19 -20.001 13.671 6.441 1.00 0.00 N ATOM 284 CA SER A 19 -21.289 13.509 7.094 1.00 0.00 C ATOM 285 C SER A 19 -22.023 14.850 7.143 1.00 0.00 C ATOM 286 O SER A 19 -21.594 15.772 7.835 1.00 0.00 O ATOM 287 CB SER A 19 -21.124 12.942 8.505 1.00 0.00 C ATOM 288 OG SER A 19 -20.278 11.796 8.525 1.00 0.00 O ATOM 0 H SER A 19 -19.199 13.658 7.071 1.00 0.00 H new ATOM 0 HA SER A 19 -21.880 12.800 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.709 13.710 9.158 1.00 0.00 H new ATOM 0 HB3 SER A 19 -22.102 12.677 8.906 1.00 0.00 H new ATOM 0 HG SER A 19 -19.355 12.068 8.341 1.00 0.00 H new ATOM 294 N PRO A 20 -23.147 14.919 6.379 1.00 0.00 N ATOM 295 CA PRO A 20 -23.945 16.132 6.329 1.00 0.00 C ATOM 296 C PRO A 20 -24.763 16.304 7.611 1.00 0.00 C ATOM 297 O PRO A 20 -25.500 17.278 7.755 1.00 0.00 O ATOM 298 CB PRO A 20 -24.809 15.984 5.088 1.00 0.00 C ATOM 299 CG PRO A 20 -24.802 14.502 4.750 1.00 0.00 C ATOM 300 CD PRO A 20 -23.685 13.847 5.547 1.00 0.00 C ATOM 0 HA PRO A 20 -23.336 17.034 6.268 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -25.823 16.337 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -24.412 16.575 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -25.763 14.050 4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -24.645 14.355 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -24.062 13.025 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -22.920 13.433 4.890 1.00 0.00 H new ATOM 308 N GLN A 21 -24.606 15.342 8.508 1.00 0.00 N ATOM 309 CA GLN A 21 -25.321 15.374 9.772 1.00 0.00 C ATOM 310 C GLN A 21 -24.334 15.383 10.941 1.00 0.00 C ATOM 311 O GLN A 21 -24.698 15.052 12.068 1.00 0.00 O ATOM 312 CB GLN A 21 -26.292 14.196 9.883 1.00 0.00 C ATOM 313 CG GLN A 21 -27.724 14.685 10.108 1.00 0.00 C ATOM 314 CD GLN A 21 -28.388 15.064 8.783 1.00 0.00 C ATOM 315 OE1 GLN A 21 -28.122 14.490 7.739 1.00 0.00 O ATOM 316 NE2 GLN A 21 -29.266 16.058 8.882 1.00 0.00 N ATOM 0 H GLN A 21 -23.994 14.535 8.384 1.00 0.00 H new ATOM 0 HA GLN A 21 -25.908 16.291 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -26.247 13.596 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -25.991 13.549 10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -28.305 13.905 10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -27.717 15.547 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -29.442 16.495 9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -29.764 16.383 8.053 1.00 0.00 H new ATOM 325 N LYS A 22 -23.103 15.765 10.631 1.00 0.00 N ATOM 326 CA LYS A 22 -22.061 15.821 11.642 1.00 0.00 C ATOM 327 C LYS A 22 -22.261 14.679 12.640 1.00 0.00 C ATOM 328 O LYS A 22 -22.349 14.910 13.845 1.00 0.00 O ATOM 329 CB LYS A 22 -22.018 17.205 12.292 1.00 0.00 C ATOM 330 CG LYS A 22 -23.317 17.496 13.046 1.00 0.00 C ATOM 331 CD LYS A 22 -24.304 18.264 12.164 1.00 0.00 C ATOM 332 CE LYS A 22 -24.035 19.769 12.223 1.00 0.00 C ATOM 333 NZ LYS A 22 -23.975 20.338 10.858 1.00 0.00 N ATOM 0 H LYS A 22 -22.805 16.038 9.695 1.00 0.00 H new ATOM 0 HA LYS A 22 -21.081 15.678 11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -21.174 17.262 12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -21.859 17.965 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -23.769 16.560 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -23.099 18.075 13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -24.223 17.917 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -25.324 18.060 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -24.820 20.263 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -23.096 19.957 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -23.792 21.360 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -23.210 19.879 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -24.881 20.176 10.374 1.00 0.00 H new ATOM 347 N LYS A 23 -22.329 13.470 12.101 1.00 0.00 N ATOM 348 CA LYS A 23 -22.517 12.291 12.930 1.00 0.00 C ATOM 349 C LYS A 23 -22.188 11.040 12.112 1.00 0.00 C ATOM 350 O LYS A 23 -22.592 10.926 10.956 1.00 0.00 O ATOM 351 CB LYS A 23 -23.924 12.279 13.532 1.00 0.00 C ATOM 352 CG LYS A 23 -24.972 11.943 12.469 1.00 0.00 C ATOM 353 CD LYS A 23 -25.409 10.481 12.572 1.00 0.00 C ATOM 354 CE LYS A 23 -26.560 10.183 11.610 1.00 0.00 C ATOM 355 NZ LYS A 23 -27.655 9.477 12.313 1.00 0.00 N ATOM 0 H LYS A 23 -22.257 13.282 11.101 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.832 12.308 13.778 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -23.972 11.548 14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -24.144 13.252 13.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -25.838 12.594 12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.563 12.135 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.565 9.829 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -25.718 10.262 13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -26.935 11.113 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -26.200 9.574 10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -28.428 9.283 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -27.298 8.580 12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -28.010 10.072 13.089 1.00 0.00 H new ATOM 369 N LEU A 24 -21.457 10.135 12.745 1.00 0.00 N ATOM 370 CA LEU A 24 -21.068 8.897 12.091 1.00 0.00 C ATOM 371 C LEU A 24 -20.450 7.952 13.123 1.00 0.00 C ATOM 372 O LEU A 24 -20.394 8.273 14.309 1.00 0.00 O ATOM 373 CB LEU A 24 -20.155 9.185 10.897 1.00 0.00 C ATOM 374 CG LEU A 24 -18.793 9.799 11.227 1.00 0.00 C ATOM 375 CD1 LEU A 24 -17.769 9.481 10.137 1.00 0.00 C ATOM 376 CD2 LEU A 24 -18.916 11.304 11.476 1.00 0.00 C ATOM 0 H LEU A 24 -21.124 10.234 13.704 1.00 0.00 H new ATOM 0 HA LEU A 24 -21.943 8.393 11.680 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -19.990 8.252 10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -20.679 9.857 10.218 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.430 9.348 12.151 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.810 9.929 10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.653 8.401 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.113 9.886 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.934 11.716 11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -19.311 11.789 10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.591 11.480 12.314 1.00 0.00 H new ATOM 388 N THR A 25 -20.002 6.805 12.634 1.00 0.00 N ATOM 389 CA THR A 25 -19.390 5.810 13.500 1.00 0.00 C ATOM 390 C THR A 25 -17.933 5.577 13.097 1.00 0.00 C ATOM 391 O THR A 25 -17.625 5.451 11.913 1.00 0.00 O ATOM 392 CB THR A 25 -20.247 4.544 13.444 1.00 0.00 C ATOM 393 OG1 THR A 25 -19.997 4.013 12.145 1.00 0.00 O ATOM 394 CG2 THR A 25 -21.746 4.850 13.440 1.00 0.00 C ATOM 0 H THR A 25 -20.050 6.542 11.650 1.00 0.00 H new ATOM 0 HA THR A 25 -19.357 6.152 14.535 1.00 0.00 H new ATOM 0 HB THR A 25 -20.010 3.908 14.296 1.00 0.00 H new ATOM 0 HG1 THR A 25 -20.512 3.188 12.024 1.00 0.00 H new ATOM 0 HG21 THR A 25 -22.308 3.917 13.399 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.009 5.393 14.348 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.991 5.459 12.570 1.00 0.00 H new ATOM 402 N LEU A 26 -17.075 5.526 14.105 1.00 0.00 N ATOM 403 CA LEU A 26 -15.657 5.309 13.871 1.00 0.00 C ATOM 404 C LEU A 26 -15.476 4.116 12.930 1.00 0.00 C ATOM 405 O LEU A 26 -14.701 4.184 11.978 1.00 0.00 O ATOM 406 CB LEU A 26 -14.911 5.164 15.199 1.00 0.00 C ATOM 407 CG LEU A 26 -14.313 3.785 15.485 1.00 0.00 C ATOM 408 CD1 LEU A 26 -13.049 3.552 14.656 1.00 0.00 C ATOM 409 CD2 LEU A 26 -14.059 3.598 16.982 1.00 0.00 C ATOM 0 H LEU A 26 -17.334 5.631 15.086 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.216 6.175 13.377 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.107 5.899 15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.597 5.415 16.008 1.00 0.00 H new ATOM 0 HG LEU A 26 -15.039 3.029 15.184 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.645 2.565 14.879 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.293 3.613 13.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.307 4.312 14.902 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.634 2.610 17.158 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.362 4.360 17.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.000 3.690 17.525 1.00 0.00 H new ATOM 421 N SER A 27 -16.205 3.051 13.230 1.00 0.00 N ATOM 422 CA SER A 27 -16.135 1.845 12.424 1.00 0.00 C ATOM 423 C SER A 27 -16.273 2.198 10.941 1.00 0.00 C ATOM 424 O SER A 27 -15.469 1.763 10.118 1.00 0.00 O ATOM 425 CB SER A 27 -17.217 0.844 12.834 1.00 0.00 C ATOM 426 OG SER A 27 -17.260 -0.283 11.963 1.00 0.00 O ATOM 0 H SER A 27 -16.847 2.999 14.021 1.00 0.00 H new ATOM 0 HA SER A 27 -15.164 1.378 12.591 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.031 0.507 13.854 1.00 0.00 H new ATOM 0 HB3 SER A 27 -18.188 1.339 12.834 1.00 0.00 H new ATOM 0 HG SER A 27 -17.835 -0.975 12.351 1.00 0.00 H new ATOM 432 N GLY A 28 -17.298 2.983 10.646 1.00 0.00 N ATOM 433 CA GLY A 28 -17.552 3.400 9.277 1.00 0.00 C ATOM 434 C GLY A 28 -16.341 4.130 8.693 1.00 0.00 C ATOM 435 O GLY A 28 -16.132 4.121 7.481 1.00 0.00 O ATOM 0 H GLY A 28 -17.963 3.342 11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.786 2.529 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -18.424 4.053 9.248 1.00 0.00 H new ATOM 439 N ILE A 29 -15.576 4.745 9.582 1.00 0.00 N ATOM 440 CA ILE A 29 -14.391 5.479 9.170 1.00 0.00 C ATOM 441 C ILE A 29 -13.303 4.489 8.750 1.00 0.00 C ATOM 442 O ILE A 29 -12.715 4.625 7.679 1.00 0.00 O ATOM 443 CB ILE A 29 -13.950 6.447 10.270 1.00 0.00 C ATOM 444 CG1 ILE A 29 -13.902 7.885 9.749 1.00 0.00 C ATOM 445 CG2 ILE A 29 -12.616 6.013 10.880 1.00 0.00 C ATOM 446 CD1 ILE A 29 -15.195 8.246 9.016 1.00 0.00 C ATOM 0 H ILE A 29 -15.753 4.750 10.586 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.611 6.099 8.301 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.693 6.419 11.067 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.748 8.572 10.581 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.053 8.004 9.076 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.326 6.718 11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.720 5.018 11.312 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.850 5.994 10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.135 9.273 8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.334 7.573 8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.039 8.150 9.699 1.00 0.00 H new ATOM 458 N CYS A 30 -13.069 3.514 9.616 1.00 0.00 N ATOM 459 CA CYS A 30 -12.062 2.501 9.348 1.00 0.00 C ATOM 460 C CYS A 30 -12.307 1.939 7.947 1.00 0.00 C ATOM 461 O CYS A 30 -11.367 1.746 7.178 1.00 0.00 O ATOM 462 CB CYS A 30 -12.068 1.402 10.413 1.00 0.00 C ATOM 463 SG CYS A 30 -10.694 1.667 11.593 1.00 0.00 S ATOM 0 H CYS A 30 -13.559 3.404 10.504 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.070 2.951 9.389 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -13.020 1.404 10.944 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.969 0.425 9.940 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.709 0.730 12.494 1.00 0.00 H new ATOM 469 N GLU A 31 -13.576 1.691 7.657 1.00 0.00 N ATOM 470 CA GLU A 31 -13.957 1.155 6.361 1.00 0.00 C ATOM 471 C GLU A 31 -13.808 2.226 5.279 1.00 0.00 C ATOM 472 O GLU A 31 -13.407 1.927 4.155 1.00 0.00 O ATOM 473 CB GLU A 31 -15.383 0.603 6.394 1.00 0.00 C ATOM 474 CG GLU A 31 -15.418 -0.855 5.931 1.00 0.00 C ATOM 475 CD GLU A 31 -14.889 -1.789 7.021 1.00 0.00 C ATOM 476 OE1 GLU A 31 -15.663 -2.053 7.967 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.723 -2.218 6.884 1.00 0.00 O ATOM 0 H GLU A 31 -14.354 1.851 8.297 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.288 0.328 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.782 0.677 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.025 1.207 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.440 -1.134 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.818 -0.968 5.028 1.00 0.00 H new ATOM 484 N PHE A 32 -14.139 3.453 5.655 1.00 0.00 N ATOM 485 CA PHE A 32 -14.047 4.570 4.730 1.00 0.00 C ATOM 486 C PHE A 32 -12.603 4.787 4.275 1.00 0.00 C ATOM 487 O PHE A 32 -12.362 5.229 3.153 1.00 0.00 O ATOM 488 CB PHE A 32 -14.525 5.813 5.483 1.00 0.00 C ATOM 489 CG PHE A 32 -14.050 7.132 4.870 1.00 0.00 C ATOM 490 CD1 PHE A 32 -14.758 7.708 3.861 1.00 0.00 C ATOM 491 CD2 PHE A 32 -12.919 7.729 5.334 1.00 0.00 C ATOM 492 CE1 PHE A 32 -14.316 8.932 3.293 1.00 0.00 C ATOM 493 CE2 PHE A 32 -12.478 8.953 4.766 1.00 0.00 C ATOM 494 CZ PHE A 32 -13.186 9.529 3.757 1.00 0.00 C ATOM 0 H PHE A 32 -14.471 3.698 6.588 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.652 4.372 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -15.615 5.810 5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -14.177 5.757 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -15.656 7.234 3.492 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.357 7.272 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -14.878 9.389 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.580 9.427 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.851 10.460 3.325 1.00 0.00 H new ATOM 504 N ILE A 33 -11.680 4.467 5.170 1.00 0.00 N ATOM 505 CA ILE A 33 -10.266 4.622 4.874 1.00 0.00 C ATOM 506 C ILE A 33 -9.779 3.409 4.079 1.00 0.00 C ATOM 507 O ILE A 33 -9.061 3.557 3.091 1.00 0.00 O ATOM 508 CB ILE A 33 -9.474 4.872 6.159 1.00 0.00 C ATOM 509 CG1 ILE A 33 -9.985 6.118 6.885 1.00 0.00 C ATOM 510 CG2 ILE A 33 -7.973 4.951 5.872 1.00 0.00 C ATOM 511 CD1 ILE A 33 -9.923 7.346 5.974 1.00 0.00 C ATOM 0 H ILE A 33 -11.884 4.101 6.100 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.102 5.500 4.249 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.630 4.024 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.011 5.956 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.387 6.293 7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.434 5.129 6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.637 4.012 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.778 5.768 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.292 8.218 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.892 7.519 5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.541 7.177 5.092 1.00 0.00 H new ATOM 523 N SER A 34 -10.191 2.236 4.538 1.00 0.00 N ATOM 524 CA SER A 34 -9.806 0.998 3.882 1.00 0.00 C ATOM 525 C SER A 34 -10.286 1.006 2.429 1.00 0.00 C ATOM 526 O SER A 34 -9.489 0.834 1.507 1.00 0.00 O ATOM 527 CB SER A 34 -10.371 -0.216 4.621 1.00 0.00 C ATOM 528 OG SER A 34 -11.796 -0.223 4.625 1.00 0.00 O ATOM 0 H SER A 34 -10.788 2.117 5.357 1.00 0.00 H new ATOM 0 HA SER A 34 -8.719 0.925 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.005 -1.129 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.006 -0.218 5.648 1.00 0.00 H new ATOM 0 HG SER A 34 -12.118 -1.086 4.961 1.00 0.00 H new ATOM 534 N ASN A 35 -11.586 1.206 2.269 1.00 0.00 N ATOM 535 CA ASN A 35 -12.181 1.238 0.944 1.00 0.00 C ATOM 536 C ASN A 35 -11.365 2.169 0.045 1.00 0.00 C ATOM 537 O ASN A 35 -11.235 1.925 -1.153 1.00 0.00 O ATOM 538 CB ASN A 35 -13.615 1.770 0.997 1.00 0.00 C ATOM 539 CG ASN A 35 -14.568 0.853 0.227 1.00 0.00 C ATOM 540 OD1 ASN A 35 -14.221 0.259 -0.780 1.00 0.00 O ATOM 541 ND2 ASN A 35 -15.785 0.772 0.756 1.00 0.00 N ATOM 0 H ASN A 35 -12.244 1.348 3.035 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.187 0.221 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.939 1.849 2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.650 2.774 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.494 0.186 0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.009 1.296 1.602 1.00 0.00 H new ATOM 548 N ARG A 36 -10.835 3.217 0.659 1.00 0.00 N ATOM 549 CA ARG A 36 -10.035 4.186 -0.071 1.00 0.00 C ATOM 550 C ARG A 36 -8.671 3.589 -0.425 1.00 0.00 C ATOM 551 O ARG A 36 -8.264 3.606 -1.585 1.00 0.00 O ATOM 552 CB ARG A 36 -9.829 5.460 0.750 1.00 0.00 C ATOM 553 CG ARG A 36 -10.971 6.452 0.521 1.00 0.00 C ATOM 554 CD ARG A 36 -10.731 7.283 -0.741 1.00 0.00 C ATOM 555 NE ARG A 36 -11.806 8.287 -0.898 1.00 0.00 N ATOM 556 CZ ARG A 36 -11.702 9.387 -1.657 1.00 0.00 C ATOM 557 NH1 ARG A 36 -10.571 9.630 -2.333 1.00 0.00 N ATOM 558 NH2 ARG A 36 -12.730 10.243 -1.740 1.00 0.00 N ATOM 0 H ARG A 36 -10.944 3.416 1.653 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.573 4.439 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.768 5.208 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.881 5.923 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.914 5.912 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.062 7.112 1.383 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.763 7.781 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.700 6.632 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.681 8.133 -0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.789 8.978 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.492 10.467 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.591 10.057 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.651 11.080 -2.317 1.00 0.00 H new ATOM 572 N PHE A 37 -8.003 3.076 0.598 1.00 0.00 N ATOM 573 CA PHE A 37 -6.693 2.475 0.409 1.00 0.00 C ATOM 574 C PHE A 37 -6.722 0.982 0.743 1.00 0.00 C ATOM 575 O PHE A 37 -7.077 0.597 1.856 1.00 0.00 O ATOM 576 CB PHE A 37 -5.734 3.181 1.369 1.00 0.00 C ATOM 577 CG PHE A 37 -5.739 4.706 1.244 1.00 0.00 C ATOM 578 CD1 PHE A 37 -5.485 5.290 0.043 1.00 0.00 C ATOM 579 CD2 PHE A 37 -5.998 5.477 2.334 1.00 0.00 C ATOM 580 CE1 PHE A 37 -5.490 6.705 -0.074 1.00 0.00 C ATOM 581 CE2 PHE A 37 -6.003 6.892 2.218 1.00 0.00 C ATOM 582 CZ PHE A 37 -5.748 7.477 1.016 1.00 0.00 C ATOM 0 H PHE A 37 -8.344 3.064 1.559 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.381 2.582 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.995 2.910 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.723 2.815 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.279 4.677 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.200 5.013 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.289 7.169 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.209 7.504 3.084 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.750 8.553 0.928 1.00 0.00 H new ATOM 592 N PRO A 38 -6.334 0.159 -0.269 1.00 0.00 N ATOM 593 CA PRO A 38 -6.312 -1.283 -0.094 1.00 0.00 C ATOM 594 C PRO A 38 -5.118 -1.714 0.760 1.00 0.00 C ATOM 595 O PRO A 38 -5.256 -2.556 1.646 1.00 0.00 O ATOM 596 CB PRO A 38 -6.269 -1.850 -1.504 1.00 0.00 C ATOM 597 CG PRO A 38 -5.800 -0.712 -2.396 1.00 0.00 C ATOM 598 CD PRO A 38 -5.908 0.579 -1.600 1.00 0.00 C ATOM 0 HA PRO A 38 -7.184 -1.654 0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.588 -2.699 -1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.252 -2.208 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.772 -0.878 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.410 -0.657 -3.297 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.953 1.103 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.629 1.262 -2.049 1.00 0.00 H new ATOM 606 N TYR A 39 -3.973 -1.116 0.464 1.00 0.00 N ATOM 607 CA TYR A 39 -2.756 -1.427 1.194 1.00 0.00 C ATOM 608 C TYR A 39 -2.953 -1.230 2.699 1.00 0.00 C ATOM 609 O TYR A 39 -2.417 -1.989 3.504 1.00 0.00 O ATOM 610 CB TYR A 39 -1.701 -0.438 0.696 1.00 0.00 C ATOM 611 CG TYR A 39 -0.694 -0.011 1.766 1.00 0.00 C ATOM 612 CD1 TYR A 39 0.078 -0.960 2.404 1.00 0.00 C ATOM 613 CD2 TYR A 39 -0.557 1.323 2.092 1.00 0.00 C ATOM 614 CE1 TYR A 39 1.026 -0.559 3.411 1.00 0.00 C ATOM 615 CE2 TYR A 39 0.391 1.724 3.099 1.00 0.00 C ATOM 616 CZ TYR A 39 1.136 0.764 3.709 1.00 0.00 C ATOM 617 OH TYR A 39 2.031 1.143 4.660 1.00 0.00 O ATOM 0 H TYR A 39 -3.863 -0.418 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.466 -2.465 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.161 -0.887 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.203 0.449 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.029 -2.004 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.161 2.066 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.636 -1.292 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.508 2.764 3.364 1.00 0.00 H new ATOM 0 HH TYR A 39 2.002 2.117 4.767 1.00 0.00 H new ATOM 627 N TYR A 40 -3.725 -0.205 3.033 1.00 0.00 N ATOM 628 CA TYR A 40 -3.999 0.102 4.426 1.00 0.00 C ATOM 629 C TYR A 40 -4.788 -1.028 5.091 1.00 0.00 C ATOM 630 O TYR A 40 -4.528 -1.379 6.241 1.00 0.00 O ATOM 631 CB TYR A 40 -4.855 1.370 4.417 1.00 0.00 C ATOM 632 CG TYR A 40 -4.046 2.667 4.463 1.00 0.00 C ATOM 633 CD1 TYR A 40 -2.921 2.807 3.677 1.00 0.00 C ATOM 634 CD2 TYR A 40 -4.441 3.698 5.291 1.00 0.00 C ATOM 635 CE1 TYR A 40 -2.159 4.028 3.720 1.00 0.00 C ATOM 636 CE2 TYR A 40 -3.680 4.919 5.334 1.00 0.00 C ATOM 637 CZ TYR A 40 -2.576 5.024 4.546 1.00 0.00 C ATOM 638 OH TYR A 40 -1.857 6.178 4.587 1.00 0.00 O ATOM 0 H TYR A 40 -4.169 0.423 2.363 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.070 0.229 4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.474 1.372 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.532 1.345 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.612 2.000 3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.321 3.589 5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.276 4.150 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.979 5.733 5.977 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.273 6.800 5.220 1.00 0.00 H new ATOM 648 N ARG A 41 -5.738 -1.566 4.339 1.00 0.00 N ATOM 649 CA ARG A 41 -6.567 -2.648 4.842 1.00 0.00 C ATOM 650 C ARG A 41 -5.784 -3.963 4.836 1.00 0.00 C ATOM 651 O ARG A 41 -6.104 -4.883 5.587 1.00 0.00 O ATOM 652 CB ARG A 41 -7.831 -2.812 3.996 1.00 0.00 C ATOM 653 CG ARG A 41 -8.891 -3.622 4.745 1.00 0.00 C ATOM 654 CD ARG A 41 -8.984 -5.046 4.192 1.00 0.00 C ATOM 655 NE ARG A 41 -9.956 -5.093 3.076 1.00 0.00 N ATOM 656 CZ ARG A 41 -11.275 -5.263 3.236 1.00 0.00 C ATOM 657 NH1 ARG A 41 -11.789 -5.403 4.465 1.00 0.00 N ATOM 658 NH2 ARG A 41 -12.082 -5.292 2.166 1.00 0.00 N ATOM 0 H ARG A 41 -5.952 -1.273 3.386 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.856 -2.397 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.231 -1.831 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.583 -3.310 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.646 -3.655 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.860 -3.130 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.004 -5.375 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.291 -5.732 4.981 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.599 -4.989 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.176 -5.380 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.793 -5.532 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.692 -5.185 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.086 -5.421 2.288 1.00 0.00 H new ATOM 672 N GLU A 42 -4.773 -4.009 3.981 1.00 0.00 N ATOM 673 CA GLU A 42 -3.942 -5.195 3.868 1.00 0.00 C ATOM 674 C GLU A 42 -3.075 -5.358 5.119 1.00 0.00 C ATOM 675 O GLU A 42 -3.145 -6.381 5.798 1.00 0.00 O ATOM 676 CB GLU A 42 -3.078 -5.142 2.607 1.00 0.00 C ATOM 677 CG GLU A 42 -3.628 -6.074 1.526 1.00 0.00 C ATOM 678 CD GLU A 42 -2.689 -7.260 1.295 1.00 0.00 C ATOM 679 OE1 GLU A 42 -2.652 -8.136 2.186 1.00 0.00 O ATOM 680 OE2 GLU A 42 -2.030 -7.264 0.233 1.00 0.00 O ATOM 0 H GLU A 42 -4.511 -3.244 3.360 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.595 -6.064 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.043 -4.121 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.054 -5.426 2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.613 -6.437 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.757 -5.521 0.595 1.00 0.00 H new ATOM 687 N LYS A 43 -2.279 -4.333 5.386 1.00 0.00 N ATOM 688 CA LYS A 43 -1.400 -4.349 6.543 1.00 0.00 C ATOM 689 C LYS A 43 -2.241 -4.252 7.817 1.00 0.00 C ATOM 690 O LYS A 43 -2.150 -5.112 8.692 1.00 0.00 O ATOM 691 CB LYS A 43 -0.336 -3.256 6.423 1.00 0.00 C ATOM 692 CG LYS A 43 1.020 -3.753 6.928 1.00 0.00 C ATOM 693 CD LYS A 43 2.118 -2.724 6.653 1.00 0.00 C ATOM 694 CE LYS A 43 2.306 -1.790 7.850 1.00 0.00 C ATOM 695 NZ LYS A 43 3.303 -0.741 7.538 1.00 0.00 N ATOM 0 H LYS A 43 -2.224 -3.486 4.821 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.852 -5.290 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.248 -2.942 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.643 -2.381 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.963 -3.952 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.270 -4.696 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.055 -3.236 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.861 -2.141 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.354 -1.329 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.632 -2.363 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.418 -0.116 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.215 -1.186 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.977 -0.183 6.723 1.00 0.00 H new ATOM 709 N PHE A 44 -3.040 -3.198 7.882 1.00 0.00 N ATOM 710 CA PHE A 44 -3.896 -2.978 9.035 1.00 0.00 C ATOM 711 C PHE A 44 -3.250 -3.524 10.310 1.00 0.00 C ATOM 712 O PHE A 44 -3.767 -4.458 10.921 1.00 0.00 O ATOM 713 CB PHE A 44 -5.201 -3.733 8.775 1.00 0.00 C ATOM 714 CG PHE A 44 -6.421 -3.129 9.473 1.00 0.00 C ATOM 715 CD1 PHE A 44 -6.426 -2.980 10.825 1.00 0.00 C ATOM 716 CD2 PHE A 44 -7.500 -2.740 8.742 1.00 0.00 C ATOM 717 CE1 PHE A 44 -7.558 -2.418 11.473 1.00 0.00 C ATOM 718 CE2 PHE A 44 -8.631 -2.179 9.390 1.00 0.00 C ATOM 719 CZ PHE A 44 -8.637 -2.030 10.742 1.00 0.00 C ATOM 0 H PHE A 44 -3.113 -2.487 7.155 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.065 -1.910 9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.386 -3.759 7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.082 -4.766 9.103 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.569 -3.289 11.406 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.496 -2.858 7.668 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.562 -2.299 12.546 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.488 -1.870 8.809 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.498 -1.604 11.235 1.00 0.00 H new ATOM 729 N PRO A 45 -2.101 -2.901 10.684 1.00 0.00 N ATOM 730 CA PRO A 45 -1.379 -3.314 11.875 1.00 0.00 C ATOM 731 C PRO A 45 -2.091 -2.836 13.142 1.00 0.00 C ATOM 732 O PRO A 45 -1.906 -3.406 14.216 1.00 0.00 O ATOM 733 CB PRO A 45 0.013 -2.724 11.717 1.00 0.00 C ATOM 734 CG PRO A 45 -0.118 -1.621 10.679 1.00 0.00 C ATOM 735 CD PRO A 45 -1.460 -1.790 9.985 1.00 0.00 C ATOM 0 HA PRO A 45 -1.328 -4.398 11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.379 -2.328 12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.725 -3.483 11.393 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.054 -0.641 11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.696 -1.679 9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.058 -0.881 10.053 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.333 -2.009 8.925 1.00 0.00 H new ATOM 743 N ALA A 46 -2.890 -1.792 12.974 1.00 0.00 N ATOM 744 CA ALA A 46 -3.631 -1.230 14.091 1.00 0.00 C ATOM 745 C ALA A 46 -4.361 0.033 13.629 1.00 0.00 C ATOM 746 O ALA A 46 -4.206 1.097 14.227 1.00 0.00 O ATOM 747 CB ALA A 46 -2.674 -0.959 15.254 1.00 0.00 C ATOM 0 H ALA A 46 -3.040 -1.321 12.082 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.384 -1.934 14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.230 -0.538 16.092 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.204 -1.892 15.563 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.906 -0.254 14.936 1.00 0.00 H new ATOM 753 N TRP A 47 -5.140 -0.127 12.570 1.00 0.00 N ATOM 754 CA TRP A 47 -5.894 0.988 12.021 1.00 0.00 C ATOM 755 C TRP A 47 -7.009 1.337 13.010 1.00 0.00 C ATOM 756 O TRP A 47 -7.751 2.295 12.801 1.00 0.00 O ATOM 757 CB TRP A 47 -6.418 0.659 10.622 1.00 0.00 C ATOM 758 CG TRP A 47 -5.387 0.860 9.509 1.00 0.00 C ATOM 759 CD1 TRP A 47 -5.079 0.023 8.509 1.00 0.00 C ATOM 760 CD2 TRP A 47 -4.536 2.011 9.323 1.00 0.00 C ATOM 761 NE1 TRP A 47 -4.096 0.548 7.695 1.00 0.00 N ATOM 762 CE2 TRP A 47 -3.755 1.795 8.205 1.00 0.00 C ATOM 763 CE3 TRP A 47 -4.430 3.195 10.073 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -2.813 2.719 7.739 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -3.483 4.108 9.594 1.00 0.00 C ATOM 766 CH2 TRP A 47 -2.690 3.906 8.471 1.00 0.00 C ATOM 0 H TRP A 47 -5.266 -1.011 12.077 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.254 1.861 11.895 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.757 -0.377 10.606 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.288 1.283 10.415 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.542 -0.941 8.359 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.694 0.103 6.870 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.032 3.385 10.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.213 2.527 6.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.360 5.034 10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.982 4.661 8.164 1.00 0.00 H new ATOM 777 N GLN A 48 -7.092 0.539 14.065 1.00 0.00 N ATOM 778 CA GLN A 48 -8.103 0.752 15.086 1.00 0.00 C ATOM 779 C GLN A 48 -7.824 2.049 15.848 1.00 0.00 C ATOM 780 O GLN A 48 -8.493 3.058 15.631 1.00 0.00 O ATOM 781 CB GLN A 48 -8.177 -0.440 16.041 1.00 0.00 C ATOM 782 CG GLN A 48 -9.090 -0.135 17.231 1.00 0.00 C ATOM 783 CD GLN A 48 -8.480 -0.648 18.536 1.00 0.00 C ATOM 784 OE1 GLN A 48 -7.450 -0.182 18.996 1.00 0.00 O ATOM 785 NE2 GLN A 48 -9.170 -1.632 19.106 1.00 0.00 N ATOM 0 H GLN A 48 -6.476 -0.256 14.234 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.072 0.844 14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.549 -1.315 15.508 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.177 -0.686 16.399 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.255 0.940 17.301 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.064 -0.598 17.074 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.025 -1.976 18.668 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.844 -2.043 19.981 1.00 0.00 H new ATOM 794 N ASN A 49 -6.833 1.981 16.725 1.00 0.00 N ATOM 795 CA ASN A 49 -6.457 3.137 17.521 1.00 0.00 C ATOM 796 C ASN A 49 -5.691 4.128 16.642 1.00 0.00 C ATOM 797 O ASN A 49 -5.722 5.333 16.887 1.00 0.00 O ATOM 798 CB ASN A 49 -5.546 2.733 18.682 1.00 0.00 C ATOM 799 CG ASN A 49 -4.206 2.203 18.170 1.00 0.00 C ATOM 800 OD1 ASN A 49 -3.481 2.869 17.449 1.00 0.00 O ATOM 801 ND2 ASN A 49 -3.918 0.972 18.581 1.00 0.00 N ATOM 0 H ASN A 49 -6.279 1.143 16.902 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.368 3.585 17.917 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.377 3.592 19.332 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.037 1.969 19.285 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.045 0.529 18.293 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.570 0.470 19.184 1.00 0.00 H new ATOM 808 N SER A 50 -5.022 3.583 15.636 1.00 0.00 N ATOM 809 CA SER A 50 -4.249 4.404 14.720 1.00 0.00 C ATOM 810 C SER A 50 -5.152 5.455 14.071 1.00 0.00 C ATOM 811 O SER A 50 -4.893 6.653 14.177 1.00 0.00 O ATOM 812 CB SER A 50 -3.576 3.547 13.647 1.00 0.00 C ATOM 813 OG SER A 50 -2.860 4.339 12.702 1.00 0.00 O ATOM 0 H SER A 50 -5.000 2.583 15.436 1.00 0.00 H new ATOM 0 HA SER A 50 -3.467 4.907 15.288 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.893 2.843 14.121 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.331 2.957 13.127 1.00 0.00 H new ATOM 0 HG SER A 50 -3.186 4.145 11.798 1.00 0.00 H new ATOM 819 N ILE A 51 -6.194 4.968 13.412 1.00 0.00 N ATOM 820 CA ILE A 51 -7.137 5.850 12.745 1.00 0.00 C ATOM 821 C ILE A 51 -7.854 6.707 13.791 1.00 0.00 C ATOM 822 O ILE A 51 -7.865 7.933 13.692 1.00 0.00 O ATOM 823 CB ILE A 51 -8.085 5.046 11.854 1.00 0.00 C ATOM 824 CG1 ILE A 51 -7.308 4.269 10.788 1.00 0.00 C ATOM 825 CG2 ILE A 51 -9.156 5.948 11.238 1.00 0.00 C ATOM 826 CD1 ILE A 51 -8.222 3.864 9.630 1.00 0.00 C ATOM 0 H ILE A 51 -6.406 3.974 13.326 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.613 6.533 12.077 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.600 4.314 12.476 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.488 4.881 10.412 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.863 3.379 11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.817 5.351 10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.737 6.417 12.032 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.679 6.719 10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.645 3.314 8.887 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.027 3.232 10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.646 4.757 9.171 1.00 0.00 H new ATOM 838 N ARG A 52 -8.435 6.027 14.768 1.00 0.00 N ATOM 839 CA ARG A 52 -9.153 6.710 15.831 1.00 0.00 C ATOM 840 C ARG A 52 -8.295 7.835 16.413 1.00 0.00 C ATOM 841 O ARG A 52 -8.807 8.903 16.743 1.00 0.00 O ATOM 842 CB ARG A 52 -9.536 5.739 16.949 1.00 0.00 C ATOM 843 CG ARG A 52 -10.909 6.085 17.530 1.00 0.00 C ATOM 844 CD ARG A 52 -10.790 6.530 18.989 1.00 0.00 C ATOM 845 NE ARG A 52 -9.695 7.516 19.130 1.00 0.00 N ATOM 846 CZ ARG A 52 -9.691 8.510 20.029 1.00 0.00 C ATOM 847 NH1 ARG A 52 -10.722 8.655 20.872 1.00 0.00 N ATOM 848 NH2 ARG A 52 -8.655 9.358 20.085 1.00 0.00 N ATOM 0 H ARG A 52 -8.423 5.010 14.846 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.063 7.128 15.401 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.547 4.720 16.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.784 5.772 17.738 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.368 6.878 16.940 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.565 5.217 17.463 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.731 6.969 19.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.598 5.667 19.626 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.894 7.434 18.504 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.510 8.009 20.830 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.719 9.412 21.556 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.870 9.247 19.444 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.652 10.115 20.769 1.00 0.00 H new ATOM 862 N HIS A 53 -7.004 7.556 16.521 1.00 0.00 N ATOM 863 CA HIS A 53 -6.070 8.531 17.057 1.00 0.00 C ATOM 864 C HIS A 53 -6.061 9.776 16.168 1.00 0.00 C ATOM 865 O HIS A 53 -6.307 10.884 16.643 1.00 0.00 O ATOM 866 CB HIS A 53 -4.680 7.915 17.229 1.00 0.00 C ATOM 867 CG HIS A 53 -3.571 8.931 17.367 1.00 0.00 C ATOM 868 ND1 HIS A 53 -3.000 9.757 16.444 1.00 0.00 N flip ATOM 869 CD2 HIS A 53 -2.926 9.178 18.566 1.00 0.00 C flip ATOM 870 CE1 HIS A 53 -2.058 10.472 17.047 1.00 0.00 C flip ATOM 871 NE2 HIS A 53 -2.010 10.114 18.362 1.00 0.00 N flip ATOM 0 H HIS A 53 -6.583 6.668 16.246 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.392 8.840 18.052 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.684 7.275 18.111 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.469 7.276 16.372 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.134 8.691 19.507 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.433 11.215 16.574 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.380 10.499 19.065 1.00 0.00 H new ATOM 879 N ASN A 54 -5.775 9.552 14.894 1.00 0.00 N ATOM 880 CA ASN A 54 -5.731 10.642 13.934 1.00 0.00 C ATOM 881 C ASN A 54 -7.148 11.169 13.701 1.00 0.00 C ATOM 882 O ASN A 54 -7.334 12.193 13.046 1.00 0.00 O ATOM 883 CB ASN A 54 -5.175 10.170 12.589 1.00 0.00 C ATOM 884 CG ASN A 54 -3.813 9.495 12.765 1.00 0.00 C ATOM 885 OD1 ASN A 54 -3.669 8.289 12.647 1.00 0.00 O ATOM 886 ND2 ASN A 54 -2.825 10.337 13.054 1.00 0.00 N ATOM 0 H ASN A 54 -5.571 8.632 14.504 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.084 11.421 14.338 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.874 9.472 12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.079 11.019 11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.878 9.984 13.191 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.014 11.336 13.138 1.00 0.00 H new ATOM 893 N LEU A 55 -8.112 10.445 14.251 1.00 0.00 N ATOM 894 CA LEU A 55 -9.507 10.827 14.111 1.00 0.00 C ATOM 895 C LEU A 55 -9.851 11.881 15.166 1.00 0.00 C ATOM 896 O LEU A 55 -10.283 12.982 14.829 1.00 0.00 O ATOM 897 CB LEU A 55 -10.408 9.591 14.161 1.00 0.00 C ATOM 898 CG LEU A 55 -11.604 9.595 13.206 1.00 0.00 C ATOM 899 CD1 LEU A 55 -12.475 8.354 13.415 1.00 0.00 C ATOM 900 CD2 LEU A 55 -12.408 10.889 13.340 1.00 0.00 C ATOM 0 H LEU A 55 -7.955 9.596 14.794 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.682 11.282 13.136 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.799 8.713 13.946 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.781 9.479 15.179 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.226 9.556 12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.318 8.381 12.725 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.882 7.458 13.230 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.846 8.338 14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.252 10.866 12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.776 10.984 14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.770 11.740 13.104 1.00 0.00 H new ATOM 912 N SER A 56 -9.646 11.506 16.420 1.00 0.00 N ATOM 913 CA SER A 56 -9.929 12.405 17.525 1.00 0.00 C ATOM 914 C SER A 56 -8.760 13.371 17.727 1.00 0.00 C ATOM 915 O SER A 56 -8.960 14.579 17.840 1.00 0.00 O ATOM 916 CB SER A 56 -10.203 11.626 18.813 1.00 0.00 C ATOM 917 OG SER A 56 -9.527 12.192 19.933 1.00 0.00 O ATOM 0 H SER A 56 -9.287 10.592 16.695 1.00 0.00 H new ATOM 0 HA SER A 56 -10.825 12.976 17.280 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.276 11.611 19.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.888 10.591 18.685 1.00 0.00 H new ATOM 0 HG SER A 56 -9.850 11.771 20.757 1.00 0.00 H new ATOM 923 N LEU A 57 -7.564 12.801 17.767 1.00 0.00 N ATOM 924 CA LEU A 57 -6.362 13.596 17.953 1.00 0.00 C ATOM 925 C LEU A 57 -6.122 14.450 16.707 1.00 0.00 C ATOM 926 O LEU A 57 -5.294 14.107 15.865 1.00 0.00 O ATOM 927 CB LEU A 57 -5.178 12.699 18.321 1.00 0.00 C ATOM 928 CG LEU A 57 -4.353 13.140 19.531 1.00 0.00 C ATOM 929 CD1 LEU A 57 -5.133 12.936 20.831 1.00 0.00 C ATOM 930 CD2 LEU A 57 -2.998 12.431 19.559 1.00 0.00 C ATOM 0 H LEU A 57 -7.402 11.798 17.674 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.485 14.282 18.791 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.554 11.694 18.510 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.515 12.634 17.458 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.156 14.208 19.438 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.523 13.258 21.675 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.050 13.524 20.801 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.382 11.881 20.944 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.432 12.763 20.429 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.152 11.353 19.616 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.443 12.671 18.652 1.00 0.00 H new ATOM 942 N ASN A 58 -6.863 15.546 16.628 1.00 0.00 N ATOM 943 CA ASN A 58 -6.741 16.452 15.499 1.00 0.00 C ATOM 944 C ASN A 58 -7.996 17.322 15.411 1.00 0.00 C ATOM 945 O ASN A 58 -7.903 18.544 15.302 1.00 0.00 O ATOM 946 CB ASN A 58 -6.608 15.679 14.185 1.00 0.00 C ATOM 947 CG ASN A 58 -5.138 15.492 13.805 1.00 0.00 C ATOM 948 OD1 ASN A 58 -4.682 14.402 13.503 1.00 0.00 O ATOM 949 ND2 ASN A 58 -4.424 16.614 13.837 1.00 0.00 N ATOM 0 H ASN A 58 -7.550 15.827 17.328 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.850 17.062 15.650 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.089 14.706 14.281 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.128 16.214 13.390 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.432 16.594 13.600 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.868 17.494 14.099 1.00 0.00 H new ATOM 956 N ASP A 59 -9.142 16.658 15.461 1.00 0.00 N ATOM 957 CA ASP A 59 -10.414 17.356 15.389 1.00 0.00 C ATOM 958 C ASP A 59 -10.740 17.957 16.757 1.00 0.00 C ATOM 959 O ASP A 59 -10.802 19.177 16.904 1.00 0.00 O ATOM 960 CB ASP A 59 -11.547 16.399 15.011 1.00 0.00 C ATOM 961 CG ASP A 59 -11.410 15.748 13.633 1.00 0.00 C ATOM 962 OD1 ASP A 59 -10.278 15.324 13.315 1.00 0.00 O ATOM 963 OD2 ASP A 59 -12.442 15.688 12.929 1.00 0.00 O ATOM 0 H ASP A 59 -9.216 15.645 15.550 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.329 18.133 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.605 15.613 15.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.490 16.944 15.047 1.00 0.00 H new ATOM 968 N CYS A 60 -10.941 17.074 17.724 1.00 0.00 N ATOM 969 CA CYS A 60 -11.259 17.502 19.075 1.00 0.00 C ATOM 970 C CYS A 60 -12.780 17.483 19.240 1.00 0.00 C ATOM 971 O CYS A 60 -13.384 18.500 19.579 1.00 0.00 O ATOM 972 CB CYS A 60 -10.668 18.879 19.386 1.00 0.00 C ATOM 973 SG CYS A 60 -10.302 19.014 21.174 1.00 0.00 S ATOM 0 H CYS A 60 -10.890 16.063 17.598 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.809 16.816 19.792 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.757 19.032 18.807 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.369 19.660 19.090 1.00 0.00 H new ATOM 0 HG CYS A 60 -9.799 20.186 21.427 1.00 0.00 H new ATOM 979 N PHE A 61 -13.355 16.316 18.991 1.00 0.00 N ATOM 980 CA PHE A 61 -14.794 16.151 19.108 1.00 0.00 C ATOM 981 C PHE A 61 -15.143 15.124 20.187 1.00 0.00 C ATOM 982 O PHE A 61 -14.307 14.790 21.024 1.00 0.00 O ATOM 983 CB PHE A 61 -15.297 15.643 17.755 1.00 0.00 C ATOM 984 CG PHE A 61 -14.392 14.592 17.109 1.00 0.00 C ATOM 985 CD1 PHE A 61 -14.009 13.496 17.818 1.00 0.00 C ATOM 986 CD2 PHE A 61 -13.969 14.755 15.827 1.00 0.00 C ATOM 987 CE1 PHE A 61 -13.169 12.521 17.219 1.00 0.00 C ATOM 988 CE2 PHE A 61 -13.128 13.780 15.228 1.00 0.00 C ATOM 989 CZ PHE A 61 -12.746 12.683 15.936 1.00 0.00 C ATOM 0 H PHE A 61 -12.851 15.476 18.709 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.256 17.099 19.384 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -16.293 15.219 17.885 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.397 16.489 17.075 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -14.344 13.368 18.837 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -14.272 15.626 15.265 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -12.866 11.651 17.782 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -12.792 13.909 14.210 1.00 0.00 H new ATOM 0 HZ PHE A 61 -12.107 11.941 15.480 1.00 0.00 H new ATOM 999 N VAL A 62 -16.380 14.653 20.132 1.00 0.00 N ATOM 1000 CA VAL A 62 -16.850 13.671 21.094 1.00 0.00 C ATOM 1001 C VAL A 62 -17.240 12.387 20.358 1.00 0.00 C ATOM 1002 O VAL A 62 -17.583 12.425 19.177 1.00 0.00 O ATOM 1003 CB VAL A 62 -17.996 14.256 21.922 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -17.521 15.456 22.744 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -19.179 14.636 21.030 1.00 0.00 C ATOM 0 H VAL A 62 -17.071 14.933 19.436 1.00 0.00 H new ATOM 0 HA VAL A 62 -16.056 13.415 21.796 1.00 0.00 H new ATOM 0 HB VAL A 62 -18.334 13.487 22.616 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.355 15.853 23.323 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.726 15.142 23.420 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.144 16.229 22.075 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.979 15.049 21.644 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -18.860 15.380 20.300 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.542 13.750 20.509 1.00 0.00 H new ATOM 1015 N LYS A 63 -17.173 11.282 21.085 1.00 0.00 N ATOM 1016 CA LYS A 63 -17.515 9.990 20.516 1.00 0.00 C ATOM 1017 C LYS A 63 -18.311 9.180 21.541 1.00 0.00 C ATOM 1018 O LYS A 63 -18.556 9.648 22.652 1.00 0.00 O ATOM 1019 CB LYS A 63 -16.258 9.277 20.012 1.00 0.00 C ATOM 1020 CG LYS A 63 -15.221 9.138 21.128 1.00 0.00 C ATOM 1021 CD LYS A 63 -13.937 9.894 20.782 1.00 0.00 C ATOM 1022 CE LYS A 63 -13.773 11.130 21.668 1.00 0.00 C ATOM 1023 NZ LYS A 63 -12.360 11.570 21.687 1.00 0.00 N ATOM 0 H LYS A 63 -16.887 11.255 22.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.155 10.116 19.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.523 8.290 19.632 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.829 9.834 19.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.633 9.522 22.061 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.994 8.084 21.289 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.078 9.235 20.908 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.958 10.193 19.734 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.406 11.936 21.298 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.104 10.904 22.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.970 11.445 22.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.810 11.001 21.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.305 12.573 21.419 1.00 0.00 H new ATOM 1037 N ILE A 64 -18.692 7.979 21.132 1.00 0.00 N ATOM 1038 CA ILE A 64 -19.455 7.100 22.001 1.00 0.00 C ATOM 1039 C ILE A 64 -18.669 5.807 22.229 1.00 0.00 C ATOM 1040 O ILE A 64 -18.386 5.074 21.283 1.00 0.00 O ATOM 1041 CB ILE A 64 -20.859 6.874 21.436 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -21.748 8.098 21.671 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -21.481 5.597 22.005 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -22.161 8.201 23.141 1.00 0.00 C ATOM 0 H ILE A 64 -18.486 7.594 20.210 1.00 0.00 H new ATOM 0 HA ILE A 64 -19.600 7.562 22.977 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.775 6.738 20.358 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -21.215 9.001 21.375 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -22.637 8.032 21.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -22.478 5.461 21.587 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -20.858 4.741 21.744 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.550 5.678 23.090 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -22.792 9.079 23.281 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -22.715 7.307 23.427 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -21.271 8.291 23.764 1.00 0.00 H new ATOM 1056 N PRO A 65 -18.331 5.560 23.523 1.00 0.00 N ATOM 1057 CA PRO A 65 -17.584 4.369 23.887 1.00 0.00 C ATOM 1058 C PRO A 65 -18.477 3.127 23.848 1.00 0.00 C ATOM 1059 O PRO A 65 -19.618 3.193 23.392 1.00 0.00 O ATOM 1060 CB PRO A 65 -17.031 4.659 25.273 1.00 0.00 C ATOM 1061 CG PRO A 65 -17.868 5.802 25.824 1.00 0.00 C ATOM 1062 CD PRO A 65 -18.650 6.406 24.670 1.00 0.00 C ATOM 0 HA PRO A 65 -16.777 4.150 23.188 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.101 3.780 25.913 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.978 4.935 25.224 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.546 5.440 26.597 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.229 6.554 26.287 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.721 6.408 24.875 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.358 7.441 24.492 1.00 0.00 H new ATOM 1070 N ARG A 66 -17.925 2.025 24.333 1.00 0.00 N ATOM 1071 CA ARG A 66 -18.658 0.770 24.359 1.00 0.00 C ATOM 1072 C ARG A 66 -20.050 0.981 24.959 1.00 0.00 C ATOM 1073 O ARG A 66 -20.228 0.885 26.172 1.00 0.00 O ATOM 1074 CB ARG A 66 -17.913 -0.286 25.177 1.00 0.00 C ATOM 1075 CG ARG A 66 -18.343 -1.697 24.772 1.00 0.00 C ATOM 1076 CD ARG A 66 -19.410 -2.240 25.725 1.00 0.00 C ATOM 1077 NE ARG A 66 -20.484 -2.907 24.956 1.00 0.00 N ATOM 1078 CZ ARG A 66 -20.422 -4.173 24.522 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -19.337 -4.917 24.780 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -21.444 -4.696 23.831 1.00 0.00 N ATOM 0 H ARG A 66 -16.979 1.975 24.711 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.750 0.419 23.331 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.839 -0.173 25.031 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.108 -0.133 26.238 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.732 -1.684 23.754 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.477 -2.359 24.774 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.960 -2.945 26.424 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.828 -1.426 26.318 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.324 -2.369 24.743 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.559 -4.519 25.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.289 -5.881 24.450 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.270 -4.130 23.635 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.396 -5.660 23.501 1.00 0.00 H new ATOM 1094 N GLU A 67 -21.001 1.264 24.081 1.00 0.00 N ATOM 1095 CA GLU A 67 -22.371 1.489 24.508 1.00 0.00 C ATOM 1096 C GLU A 67 -23.279 0.372 23.990 1.00 0.00 C ATOM 1097 O GLU A 67 -22.881 -0.405 23.123 1.00 0.00 O ATOM 1098 CB GLU A 67 -22.871 2.859 24.047 1.00 0.00 C ATOM 1099 CG GLU A 67 -22.909 3.850 25.213 1.00 0.00 C ATOM 1100 CD GLU A 67 -23.403 5.222 24.751 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -24.350 5.239 23.936 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -22.822 6.223 25.224 1.00 0.00 O ATOM 0 H GLU A 67 -20.849 1.343 23.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -22.398 1.477 25.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -22.220 3.242 23.261 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -23.867 2.760 23.616 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -23.563 3.469 25.997 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.913 3.945 25.647 1.00 0.00 H new ATOM 1109 N PRO A 68 -24.514 0.325 24.558 1.00 0.00 N ATOM 1110 CA PRO A 68 -25.482 -0.685 24.163 1.00 0.00 C ATOM 1111 C PRO A 68 -26.085 -0.360 22.795 1.00 0.00 C ATOM 1112 O PRO A 68 -27.299 -0.207 22.668 1.00 0.00 O ATOM 1113 CB PRO A 68 -26.514 -0.699 25.279 1.00 0.00 C ATOM 1114 CG PRO A 68 -26.342 0.616 26.022 1.00 0.00 C ATOM 1115 CD PRO A 68 -25.020 1.228 25.587 1.00 0.00 C ATOM 0 HA PRO A 68 -25.035 -1.671 24.040 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -27.523 -0.791 24.877 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -26.357 -1.547 25.945 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -27.167 1.292 25.798 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -26.350 0.450 27.099 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -25.160 2.236 25.196 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -24.325 1.305 26.423 1.00 0.00 H new ATOM 1123 N GLY A 69 -25.209 -0.263 21.805 1.00 0.00 N ATOM 1124 CA GLY A 69 -25.641 0.041 20.451 1.00 0.00 C ATOM 1125 C GLY A 69 -25.695 -1.227 19.595 1.00 0.00 C ATOM 1126 O GLY A 69 -26.774 -1.749 19.322 1.00 0.00 O ATOM 0 H GLY A 69 -24.203 -0.390 21.914 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -26.625 0.509 20.476 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -24.957 0.760 20.000 1.00 0.00 H new ATOM 1130 N ASN A 70 -24.517 -1.684 19.197 1.00 0.00 N ATOM 1131 CA ASN A 70 -24.417 -2.880 18.378 1.00 0.00 C ATOM 1132 C ASN A 70 -23.227 -3.718 18.850 1.00 0.00 C ATOM 1133 O ASN A 70 -22.102 -3.225 18.914 1.00 0.00 O ATOM 1134 CB ASN A 70 -24.190 -2.524 16.908 1.00 0.00 C ATOM 1135 CG ASN A 70 -24.791 -1.156 16.576 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -24.115 -0.130 17.085 1.00 0.00 O flip ATOM 1137 ND2 ASN A 70 -25.802 -1.040 15.903 1.00 0.00 N flip ATOM 0 H ASN A 70 -23.624 -1.248 19.426 1.00 0.00 H new ATOM 0 HA ASN A 70 -25.351 -3.434 18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -23.122 -2.518 16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -24.639 -3.287 16.272 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -26.273 -1.870 15.542 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -26.177 -0.113 15.701 1.00 0.00 H new ATOM 1144 N PRO A 71 -23.524 -5.005 19.177 1.00 0.00 N ATOM 1145 CA PRO A 71 -22.491 -5.916 19.641 1.00 0.00 C ATOM 1146 C PRO A 71 -21.606 -6.378 18.482 1.00 0.00 C ATOM 1147 O PRO A 71 -22.002 -7.239 17.698 1.00 0.00 O ATOM 1148 CB PRO A 71 -23.244 -7.057 20.305 1.00 0.00 C ATOM 1149 CG PRO A 71 -24.669 -6.977 19.782 1.00 0.00 C ATOM 1150 CD PRO A 71 -24.844 -5.624 19.113 1.00 0.00 C ATOM 0 HA PRO A 71 -21.802 -5.448 20.344 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -22.792 -8.018 20.060 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -23.221 -6.961 21.390 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -24.861 -7.782 19.072 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -25.382 -7.095 20.598 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -25.181 -5.733 18.082 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -25.590 -5.020 19.630 1.00 0.00 H new ATOM 1158 N GLY A 72 -20.423 -5.784 18.409 1.00 0.00 N ATOM 1159 CA GLY A 72 -19.479 -6.124 17.359 1.00 0.00 C ATOM 1160 C GLY A 72 -18.541 -4.951 17.065 1.00 0.00 C ATOM 1161 O GLY A 72 -17.510 -4.798 17.718 1.00 0.00 O ATOM 0 H GLY A 72 -20.098 -5.070 19.060 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.896 -6.995 17.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.020 -6.398 16.453 1.00 0.00 H new ATOM 1165 N LYS A 73 -18.932 -4.154 16.082 1.00 0.00 N ATOM 1166 CA LYS A 73 -18.139 -3.001 15.693 1.00 0.00 C ATOM 1167 C LYS A 73 -19.073 -1.850 15.312 1.00 0.00 C ATOM 1168 O LYS A 73 -18.985 -1.314 14.209 1.00 0.00 O ATOM 1169 CB LYS A 73 -17.148 -3.378 14.591 1.00 0.00 C ATOM 1170 CG LYS A 73 -15.728 -3.501 15.148 1.00 0.00 C ATOM 1171 CD LYS A 73 -14.783 -4.112 14.112 1.00 0.00 C ATOM 1172 CE LYS A 73 -13.756 -3.084 13.633 1.00 0.00 C ATOM 1173 NZ LYS A 73 -13.295 -3.410 12.265 1.00 0.00 N ATOM 0 H LYS A 73 -19.788 -4.284 15.543 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.532 -2.657 16.531 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.447 -4.322 14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.170 -2.624 13.804 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.363 -2.517 15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.738 -4.119 16.046 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.269 -4.970 14.545 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.358 -4.480 13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.197 -2.087 13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.906 -3.066 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.599 -2.702 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.856 -4.353 12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.107 -3.404 11.615 1.00 0.00 H new ATOM 1187 N GLY A 74 -19.947 -1.505 16.247 1.00 0.00 N ATOM 1188 CA GLY A 74 -20.896 -0.428 16.023 1.00 0.00 C ATOM 1189 C GLY A 74 -20.890 0.559 17.192 1.00 0.00 C ATOM 1190 O GLY A 74 -20.861 0.153 18.352 1.00 0.00 O ATOM 0 H GLY A 74 -20.017 -1.952 17.161 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -20.647 0.095 15.100 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -21.897 -0.841 15.896 1.00 0.00 H new ATOM 1194 N ASN A 75 -20.920 1.838 16.845 1.00 0.00 N ATOM 1195 CA ASN A 75 -20.918 2.886 17.851 1.00 0.00 C ATOM 1196 C ASN A 75 -21.401 4.193 17.219 1.00 0.00 C ATOM 1197 O ASN A 75 -21.960 4.188 16.123 1.00 0.00 O ATOM 1198 CB ASN A 75 -19.510 3.119 18.401 1.00 0.00 C ATOM 1199 CG ASN A 75 -18.573 3.639 17.309 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -18.914 3.697 16.139 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -17.377 4.013 17.755 1.00 0.00 N ATOM 0 H ASN A 75 -20.946 2.172 15.881 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.575 2.575 18.663 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -19.550 3.835 19.222 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -19.117 2.188 18.809 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.680 4.375 17.104 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.157 3.938 18.748 1.00 0.00 H new ATOM 1208 N TYR A 76 -21.169 5.282 17.938 1.00 0.00 N ATOM 1209 CA TYR A 76 -21.573 6.594 17.461 1.00 0.00 C ATOM 1210 C TYR A 76 -20.460 7.621 17.673 1.00 0.00 C ATOM 1211 O TYR A 76 -19.733 7.559 18.663 1.00 0.00 O ATOM 1212 CB TYR A 76 -22.786 6.993 18.304 1.00 0.00 C ATOM 1213 CG TYR A 76 -23.964 6.022 18.198 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -24.492 5.709 16.962 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -24.498 5.459 19.339 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -25.600 4.795 16.863 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -25.606 4.545 19.240 1.00 0.00 C ATOM 1218 CZ TYR A 76 -26.103 4.258 18.007 1.00 0.00 C ATOM 1219 OH TYR A 76 -27.150 3.395 17.913 1.00 0.00 O ATOM 0 H TYR A 76 -20.706 5.282 18.847 1.00 0.00 H new ATOM 0 HA TYR A 76 -21.796 6.563 16.395 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -22.482 7.066 19.348 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -23.118 7.985 17.998 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -24.074 6.150 16.069 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -24.085 5.704 20.306 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -26.022 4.541 15.902 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -26.033 4.097 20.125 1.00 0.00 H new ATOM 0 HH TYR A 76 -27.404 3.090 18.809 1.00 0.00 H new ATOM 1229 N TRP A 77 -20.361 8.543 16.726 1.00 0.00 N ATOM 1230 CA TRP A 77 -19.349 9.583 16.797 1.00 0.00 C ATOM 1231 C TRP A 77 -19.999 10.905 16.383 1.00 0.00 C ATOM 1232 O TRP A 77 -20.835 10.934 15.482 1.00 0.00 O ATOM 1233 CB TRP A 77 -18.132 9.222 15.942 1.00 0.00 C ATOM 1234 CG TRP A 77 -17.105 8.344 16.661 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -17.314 7.184 17.299 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -15.692 8.603 16.789 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -16.144 6.679 17.827 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -15.125 7.570 17.507 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -14.917 9.676 16.314 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -13.761 7.507 17.815 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -13.555 9.599 16.630 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -12.969 8.565 17.352 1.00 0.00 C ATOM 0 H TRP A 77 -20.965 8.591 15.906 1.00 0.00 H new ATOM 0 HA TRP A 77 -18.971 9.685 17.814 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -18.472 8.705 15.044 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.645 10.141 15.616 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -18.278 6.705 17.388 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -16.044 5.812 18.355 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.339 10.495 15.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -13.342 6.687 18.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.915 10.399 16.289 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -11.908 8.578 17.555 1.00 0.00 H new ATOM 1253 N THR A 78 -19.589 11.967 17.061 1.00 0.00 N ATOM 1254 CA THR A 78 -20.121 13.288 16.776 1.00 0.00 C ATOM 1255 C THR A 78 -19.012 14.339 16.860 1.00 0.00 C ATOM 1256 O THR A 78 -18.185 14.302 17.770 1.00 0.00 O ATOM 1257 CB THR A 78 -21.280 13.549 17.739 1.00 0.00 C ATOM 1258 OG1 THR A 78 -22.251 12.567 17.388 1.00 0.00 O ATOM 1259 CG2 THR A 78 -21.982 14.881 17.463 1.00 0.00 C ATOM 0 H THR A 78 -18.894 11.939 17.807 1.00 0.00 H new ATOM 0 HA THR A 78 -20.506 13.348 15.758 1.00 0.00 H new ATOM 0 HB THR A 78 -20.909 13.539 18.764 1.00 0.00 H new ATOM 0 HG1 THR A 78 -23.037 12.663 17.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 -22.797 15.017 18.174 1.00 0.00 H new ATOM 0 HG22 THR A 78 -21.268 15.697 17.569 1.00 0.00 H new ATOM 0 HG23 THR A 78 -22.382 14.878 16.449 1.00 0.00 H new ATOM 1267 N LEU A 79 -19.030 15.251 15.899 1.00 0.00 N ATOM 1268 CA LEU A 79 -18.037 16.310 15.854 1.00 0.00 C ATOM 1269 C LEU A 79 -18.740 17.667 15.939 1.00 0.00 C ATOM 1270 O LEU A 79 -19.856 17.824 15.447 1.00 0.00 O ATOM 1271 CB LEU A 79 -17.146 16.156 14.620 1.00 0.00 C ATOM 1272 CG LEU A 79 -16.431 17.424 14.146 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -15.039 17.097 13.600 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -17.282 18.185 13.127 1.00 0.00 C ATOM 0 H LEU A 79 -19.717 15.278 15.145 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.369 16.242 16.712 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.394 15.396 14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -17.757 15.779 13.800 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.294 18.080 15.005 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.553 18.015 13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.441 16.631 14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.130 16.412 12.757 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.751 19.081 12.807 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.472 17.548 12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.230 18.469 13.584 1.00 0.00 H new ATOM 1286 N ASP A 80 -18.057 18.612 16.568 1.00 0.00 N ATOM 1287 CA ASP A 80 -18.602 19.950 16.725 1.00 0.00 C ATOM 1288 C ASP A 80 -18.142 20.823 15.556 1.00 0.00 C ATOM 1289 O ASP A 80 -17.206 20.468 14.842 1.00 0.00 O ATOM 1290 CB ASP A 80 -18.110 20.597 18.021 1.00 0.00 C ATOM 1291 CG ASP A 80 -19.177 20.768 19.104 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -20.082 19.908 19.149 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -19.062 21.755 19.862 1.00 0.00 O ATOM 0 H ASP A 80 -17.131 18.478 16.975 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.689 19.871 16.752 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.297 19.993 18.425 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.693 21.576 17.785 1.00 0.00 H new ATOM 1298 N PRO A 81 -18.839 21.980 15.393 1.00 0.00 N ATOM 1299 CA PRO A 81 -18.511 22.907 14.323 1.00 0.00 C ATOM 1300 C PRO A 81 -17.232 23.683 14.642 1.00 0.00 C ATOM 1301 O PRO A 81 -17.226 24.912 14.623 1.00 0.00 O ATOM 1302 CB PRO A 81 -19.732 23.802 14.192 1.00 0.00 C ATOM 1303 CG PRO A 81 -20.505 23.648 15.492 1.00 0.00 C ATOM 1304 CD PRO A 81 -19.953 22.433 16.220 1.00 0.00 C ATOM 0 HA PRO A 81 -18.299 22.403 13.380 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -19.440 24.840 14.032 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -20.342 23.508 13.338 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -20.400 24.542 16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.569 23.522 15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -19.620 22.691 17.225 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.710 21.656 16.324 1.00 0.00 H new ATOM 1312 N GLN A 82 -16.179 22.932 14.929 1.00 0.00 N ATOM 1313 CA GLN A 82 -14.896 23.534 15.252 1.00 0.00 C ATOM 1314 C GLN A 82 -13.820 23.043 14.282 1.00 0.00 C ATOM 1315 O GLN A 82 -12.965 23.817 13.854 1.00 0.00 O ATOM 1316 CB GLN A 82 -14.503 23.241 16.701 1.00 0.00 C ATOM 1317 CG GLN A 82 -14.245 21.747 16.909 1.00 0.00 C ATOM 1318 CD GLN A 82 -13.731 21.471 18.323 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -12.539 21.448 18.585 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -14.692 21.263 19.217 1.00 0.00 N ATOM 0 H GLN A 82 -16.188 21.912 14.945 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.987 24.615 15.146 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.609 23.807 16.960 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.296 23.573 17.371 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.165 21.188 16.737 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.517 21.395 16.178 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.671 21.296 18.931 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.451 21.070 20.189 1.00 0.00 H new ATOM 1329 N SER A 83 -13.897 21.759 13.964 1.00 0.00 N ATOM 1330 CA SER A 83 -12.939 21.156 13.052 1.00 0.00 C ATOM 1331 C SER A 83 -12.873 21.962 11.754 1.00 0.00 C ATOM 1332 O SER A 83 -11.789 22.215 11.230 1.00 0.00 O ATOM 1333 CB SER A 83 -13.304 19.700 12.755 1.00 0.00 C ATOM 1334 OG SER A 83 -12.546 19.170 11.671 1.00 0.00 O ATOM 0 H SER A 83 -14.607 21.120 14.321 1.00 0.00 H new ATOM 0 HA SER A 83 -11.959 21.167 13.529 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.135 19.095 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.367 19.633 12.521 1.00 0.00 H new ATOM 0 HG SER A 83 -12.807 18.239 11.514 1.00 0.00 H new ATOM 1340 N GLU A 84 -14.047 22.344 11.271 1.00 0.00 N ATOM 1341 CA GLU A 84 -14.136 23.117 10.044 1.00 0.00 C ATOM 1342 C GLU A 84 -13.316 24.403 10.166 1.00 0.00 C ATOM 1343 O GLU A 84 -12.467 24.684 9.321 1.00 0.00 O ATOM 1344 CB GLU A 84 -15.593 23.426 9.696 1.00 0.00 C ATOM 1345 CG GLU A 84 -15.853 23.231 8.201 1.00 0.00 C ATOM 1346 CD GLU A 84 -17.321 22.886 7.940 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -17.696 21.734 8.247 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -18.034 23.781 7.438 1.00 0.00 O ATOM 0 H GLU A 84 -14.944 22.132 11.708 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.721 22.521 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.253 22.777 10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.828 24.452 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.588 24.140 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.215 22.435 7.818 1.00 0.00 H new ATOM 1355 N ASP A 85 -13.599 25.149 11.223 1.00 0.00 N ATOM 1356 CA ASP A 85 -12.899 26.399 11.466 1.00 0.00 C ATOM 1357 C ASP A 85 -11.406 26.115 11.647 1.00 0.00 C ATOM 1358 O ASP A 85 -10.564 26.890 11.198 1.00 0.00 O ATOM 1359 CB ASP A 85 -13.408 27.077 12.739 1.00 0.00 C ATOM 1360 CG ASP A 85 -13.497 28.603 12.668 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -12.695 29.183 11.904 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -14.365 29.155 13.378 1.00 0.00 O ATOM 0 H ASP A 85 -14.304 24.912 11.921 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.074 27.055 10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.396 26.681 12.973 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.751 26.804 13.565 1.00 0.00 H new ATOM 1367 N MET A 86 -11.124 25.001 12.307 1.00 0.00 N ATOM 1368 CA MET A 86 -9.748 24.605 12.553 1.00 0.00 C ATOM 1369 C MET A 86 -8.992 24.403 11.238 1.00 0.00 C ATOM 1370 O MET A 86 -7.848 24.835 11.102 1.00 0.00 O ATOM 1371 CB MET A 86 -9.727 23.304 13.359 1.00 0.00 C ATOM 1372 CG MET A 86 -8.347 22.645 13.300 1.00 0.00 C ATOM 1373 SD MET A 86 -8.253 21.551 11.893 1.00 0.00 S ATOM 1374 CE MET A 86 -9.374 20.267 12.423 1.00 0.00 C ATOM 0 H MET A 86 -11.825 24.360 12.679 1.00 0.00 H new ATOM 0 HA MET A 86 -9.256 25.399 13.115 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.992 23.510 14.396 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.479 22.618 12.969 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.573 23.409 13.229 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.162 22.087 14.218 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.865 19.303 12.390 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.703 20.469 13.442 1.00 0.00 H new ATOM 0 HE3 MET A 86 -10.239 20.243 11.761 1.00 0.00 H new ATOM 1384 N PHE A 87 -9.662 23.746 10.303 1.00 0.00 N ATOM 1385 CA PHE A 87 -9.068 23.481 9.003 1.00 0.00 C ATOM 1386 C PHE A 87 -8.878 24.777 8.213 1.00 0.00 C ATOM 1387 O PHE A 87 -7.779 25.068 7.744 1.00 0.00 O ATOM 1388 CB PHE A 87 -10.037 22.572 8.245 1.00 0.00 C ATOM 1389 CG PHE A 87 -9.353 21.459 7.449 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -8.462 20.633 8.062 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -9.635 21.294 6.129 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -7.827 19.600 7.324 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -9.000 20.260 5.391 1.00 0.00 C ATOM 1394 CZ PHE A 87 -8.109 19.435 6.004 1.00 0.00 C ATOM 0 H PHE A 87 -10.610 23.389 10.419 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.090 23.017 9.128 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.729 22.123 8.957 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.631 23.180 7.563 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.238 20.763 9.110 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -10.342 21.949 5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.120 18.945 7.811 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.225 20.129 4.343 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.626 18.649 5.443 1.00 0.00 H new