USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.425 USER MOD Set 1.2: A 103 THR OG1 : rot -79:sc= 0.457 USER MOD Set 2.1: A 91 ASN : amide:sc= 0.32 K(o=0.63,f=0.011) USER MOD Set 2.2: A 94 ASN : amide:sc= 0.313 K(o=0.63,f=-7.8!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0) USER MOD Set 3.2: A 24 GLN : amide:sc= 0.925 K(o=2,f=-3.5) USER MOD Set 4.1: A 9 GLN : amide:sc= 1.97 K(o=2.2,f=-8.5!) USER MOD Set 4.2: A 22 THR OG1 : rot -10:sc= 0.25 USER MOD Set 5.1: A 13 THR OG1 : rot -73:sc= 0.551 USER MOD Set 5.2: A 18 THR OG1 : rot 180:sc= 0.506 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.024) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 23 TYR OH : rot 172:sc= 0.861 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 1.59 (180deg=1.59) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0487) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.916 (180deg=0.88) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.3!) USER MOD Single : A 45 MET CE :methyl -166:sc= -0.0273 (180deg=-0.286) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.437 K(o=-0.44,f=-4.9!) USER MOD Single : A 65 SER OG : rot 69:sc= 0.888 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.303 K(o=0.3,f=-5.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 68:sc= 0.493 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.807 8.808 1.669 1.00 0.00 N ATOM 61 CA LYS A 5 12.541 8.713 2.390 1.00 0.00 C ATOM 62 C LYS A 5 11.404 8.847 1.377 1.00 0.00 C ATOM 63 O LYS A 5 11.419 9.753 0.538 1.00 0.00 O ATOM 64 CB LYS A 5 12.437 9.788 3.473 1.00 0.00 C ATOM 65 CG LYS A 5 11.194 9.684 4.345 1.00 0.00 C ATOM 66 CD LYS A 5 11.201 10.731 5.448 1.00 0.00 C ATOM 67 CE LYS A 5 12.101 10.314 6.602 1.00 0.00 C ATOM 68 NZ LYS A 5 11.923 11.191 7.792 1.00 0.00 N ATOM 0 HA LYS A 5 12.479 7.749 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.319 9.731 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.451 10.769 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.304 9.809 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.139 8.689 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.542 11.685 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.185 10.884 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.884 9.282 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.142 10.346 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.722 11.057 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.886 12.185 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.036 10.944 8.276 1.00 0.00 H new ATOM 82 N VAL A 6 10.466 7.906 1.423 1.00 0.00 N ATOM 83 CA VAL A 6 9.169 8.016 0.742 1.00 0.00 C ATOM 84 C VAL A 6 8.098 7.771 1.811 1.00 0.00 C ATOM 85 O VAL A 6 8.334 7.012 2.755 1.00 0.00 O ATOM 86 CB VAL A 6 9.012 7.010 -0.414 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.309 5.597 0.066 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.611 7.087 -1.001 1.00 0.00 C ATOM 0 H VAL A 6 10.581 7.033 1.939 1.00 0.00 H new ATOM 0 HA VAL A 6 9.078 9.002 0.286 1.00 0.00 H new ATOM 0 HB VAL A 6 9.728 7.268 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.193 4.899 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.331 5.548 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.616 5.330 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.518 6.370 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.879 6.854 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.430 8.093 -1.380 1.00 0.00 H new ATOM 98 N GLU A 7 6.957 8.438 1.709 1.00 0.00 N ATOM 99 CA GLU A 7 5.863 8.263 2.680 1.00 0.00 C ATOM 100 C GLU A 7 4.700 7.504 2.017 1.00 0.00 C ATOM 101 O GLU A 7 4.362 7.726 0.854 1.00 0.00 O ATOM 102 CB GLU A 7 5.385 9.615 3.214 1.00 0.00 C ATOM 103 CG GLU A 7 6.402 10.343 4.082 1.00 0.00 C ATOM 104 CD GLU A 7 5.816 11.594 4.676 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.680 11.889 4.392 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.464 12.195 5.502 1.00 0.00 O ATOM 0 H GLU A 7 6.756 9.108 0.967 1.00 0.00 H new ATOM 0 HA GLU A 7 6.234 7.683 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.123 10.253 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.474 9.462 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.741 9.683 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.278 10.597 3.485 1.00 0.00 H new ATOM 113 N VAL A 8 4.107 6.601 2.801 1.00 0.00 N ATOM 114 CA VAL A 8 2.990 5.737 2.397 1.00 0.00 C ATOM 115 C VAL A 8 1.773 6.028 3.301 1.00 0.00 C ATOM 116 O VAL A 8 1.838 5.857 4.515 1.00 0.00 O ATOM 117 CB VAL A 8 3.357 4.244 2.484 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.151 3.379 2.145 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.517 3.925 1.554 1.00 0.00 C ATOM 0 H VAL A 8 4.399 6.444 3.766 1.00 0.00 H new ATOM 0 HA VAL A 8 2.751 5.956 1.356 1.00 0.00 H new ATOM 0 HB VAL A 8 3.664 4.024 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.428 2.327 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.345 3.587 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.816 3.603 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.763 2.866 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.236 4.161 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.385 4.520 1.838 1.00 0.00 H new ATOM 129 N GLN A 9 0.678 6.493 2.680 1.00 0.00 N ATOM 130 CA GLN A 9 -0.580 6.824 3.366 1.00 0.00 C ATOM 131 C GLN A 9 -1.610 5.737 3.032 1.00 0.00 C ATOM 132 O GLN A 9 -2.005 5.598 1.876 1.00 0.00 O ATOM 133 CB GLN A 9 -1.100 8.200 2.942 1.00 0.00 C ATOM 134 CG GLN A 9 -0.147 9.345 3.242 1.00 0.00 C ATOM 135 CD GLN A 9 -0.770 10.702 2.974 1.00 0.00 C ATOM 136 OE1 GLN A 9 -0.953 11.099 1.820 1.00 0.00 O ATOM 137 NE2 GLN A 9 -1.095 11.424 4.040 1.00 0.00 N ATOM 0 H GLN A 9 0.641 6.652 1.673 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.406 6.863 4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.306 8.184 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.048 8.389 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.164 9.291 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.752 9.235 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.926 11.056 4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.514 12.347 3.923 1.00 0.00 H new ATOM 146 N VAL A 10 -2.017 4.949 4.037 1.00 0.00 N ATOM 147 CA VAL A 10 -2.929 3.805 3.837 1.00 0.00 C ATOM 148 C VAL A 10 -4.267 4.103 4.528 1.00 0.00 C ATOM 149 O VAL A 10 -4.295 4.433 5.715 1.00 0.00 O ATOM 150 CB VAL A 10 -2.346 2.491 4.390 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.309 1.338 4.149 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.996 2.197 3.754 1.00 0.00 C ATOM 0 H VAL A 10 -1.728 5.082 5.006 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.070 3.674 2.764 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.204 2.604 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.881 0.417 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.255 1.544 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.482 1.226 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.599 1.265 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.115 2.104 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.305 3.011 3.974 1.00 0.00 H new ATOM 162 N LYS A 11 -5.363 4.021 3.750 1.00 0.00 N ATOM 163 CA LYS A 11 -6.731 4.243 4.236 1.00 0.00 C ATOM 164 C LYS A 11 -7.559 2.973 3.974 1.00 0.00 C ATOM 165 O LYS A 11 -7.759 2.595 2.829 1.00 0.00 O ATOM 166 CB LYS A 11 -7.368 5.456 3.558 1.00 0.00 C ATOM 167 CG LYS A 11 -8.725 5.853 4.124 1.00 0.00 C ATOM 168 CD LYS A 11 -9.262 7.106 3.448 1.00 0.00 C ATOM 169 CE LYS A 11 -10.587 7.540 4.058 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.101 8.792 3.439 1.00 0.00 N ATOM 0 H LYS A 11 -5.319 3.796 2.756 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.705 4.450 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.689 6.304 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.479 5.246 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.431 5.034 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.637 6.025 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.535 7.912 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.394 6.918 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.322 6.745 3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.461 7.691 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.005 9.053 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.412 9.558 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.246 8.641 2.420 1.00 0.00 H new ATOM 184 N ILE A 12 -8.045 2.325 5.036 1.00 0.00 N ATOM 185 CA ILE A 12 -8.795 1.049 4.933 1.00 0.00 C ATOM 186 C ILE A 12 -10.143 1.161 5.672 1.00 0.00 C ATOM 187 O ILE A 12 -10.200 1.608 6.823 1.00 0.00 O ATOM 188 CB ILE A 12 -7.996 -0.134 5.508 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.788 -1.435 5.360 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.649 0.119 6.968 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.969 -2.681 5.610 1.00 0.00 C ATOM 0 H ILE A 12 -7.936 2.660 5.993 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.967 0.861 3.873 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.067 -0.231 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.628 -1.419 6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.206 -1.482 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.084 -0.727 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.048 1.025 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.566 0.241 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.599 -3.562 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.144 -2.723 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.572 -2.658 6.625 1.00 0.00 H new ATOM 203 N THR A 13 -11.234 0.773 4.992 1.00 0.00 N ATOM 204 CA THR A 13 -12.584 0.814 5.568 1.00 0.00 C ATOM 205 C THR A 13 -13.025 -0.624 5.927 1.00 0.00 C ATOM 206 O THR A 13 -12.861 -1.555 5.133 1.00 0.00 O ATOM 207 CB THR A 13 -13.602 1.446 4.601 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.231 2.804 4.333 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.998 1.414 5.202 1.00 0.00 C ATOM 0 H THR A 13 -11.204 0.425 4.034 1.00 0.00 H new ATOM 0 HA THR A 13 -12.553 1.436 6.463 1.00 0.00 H new ATOM 0 HB THR A 13 -13.604 0.874 3.673 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.422 3.357 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.705 1.865 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.287 0.381 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.004 1.973 6.138 1.00 0.00 H new ATOM 217 N CYS A 14 -13.558 -0.782 7.149 1.00 0.00 N ATOM 218 CA CYS A 14 -14.022 -2.065 7.704 1.00 0.00 C ATOM 219 C CYS A 14 -15.439 -1.851 8.242 1.00 0.00 C ATOM 220 O CYS A 14 -15.634 -1.038 9.164 1.00 0.00 O ATOM 221 CB CYS A 14 -13.062 -2.517 8.823 1.00 0.00 C ATOM 222 SG CYS A 14 -13.209 -4.242 9.466 1.00 0.00 S ATOM 0 H CYS A 14 -13.682 -0.002 7.795 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.035 -2.845 6.943 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.043 -2.384 8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.191 -1.837 9.665 1.00 0.00 H new ATOM 227 N ASN A 15 -16.412 -2.565 7.631 1.00 0.00 N ATOM 228 CA ASN A 15 -17.854 -2.448 7.913 1.00 0.00 C ATOM 229 C ASN A 15 -18.324 -1.010 7.604 1.00 0.00 C ATOM 230 O ASN A 15 -18.783 -0.726 6.487 1.00 0.00 O ATOM 231 CB ASN A 15 -18.182 -2.822 9.348 1.00 0.00 C ATOM 232 CG ASN A 15 -19.627 -2.624 9.710 1.00 0.00 C ATOM 233 OD1 ASN A 15 -19.968 -1.777 10.545 1.00 0.00 O ATOM 234 ND2 ASN A 15 -20.469 -3.453 9.148 1.00 0.00 N ATOM 0 H ASN A 15 -16.206 -3.256 6.909 1.00 0.00 H new ATOM 0 HA ASN A 15 -18.385 -3.151 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.916 -3.866 9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.564 -2.226 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -21.459 -3.419 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -20.136 -4.133 8.465 1.00 0.00 H new ATOM 241 N GLY A 16 -18.154 -0.112 8.577 1.00 0.00 N ATOM 242 CA GLY A 16 -18.533 1.295 8.439 1.00 0.00 C ATOM 243 C GLY A 16 -17.571 2.197 9.185 1.00 0.00 C ATOM 244 O GLY A 16 -17.853 3.382 9.389 1.00 0.00 O ATOM 0 H GLY A 16 -17.749 -0.341 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.548 1.568 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.543 1.441 8.821 1.00 0.00 H new ATOM 248 N LYS A 17 -16.428 1.621 9.609 1.00 0.00 N ATOM 249 CA LYS A 17 -15.366 2.327 10.338 1.00 0.00 C ATOM 250 C LYS A 17 -14.104 2.361 9.460 1.00 0.00 C ATOM 251 O LYS A 17 -13.661 1.321 8.963 1.00 0.00 O ATOM 252 CB LYS A 17 -15.076 1.652 11.679 1.00 0.00 C ATOM 253 CG LYS A 17 -13.991 2.333 12.503 1.00 0.00 C ATOM 254 CD LYS A 17 -14.479 3.656 13.074 1.00 0.00 C ATOM 255 CE LYS A 17 -13.472 4.241 14.055 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.855 5.611 14.492 1.00 0.00 N ATOM 0 H LYS A 17 -16.218 0.636 9.450 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.691 3.345 10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.995 1.623 12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.782 0.619 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.682 1.676 13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.113 2.505 11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.652 4.363 12.263 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.435 3.507 13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.394 3.591 14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.487 4.270 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.144 5.974 15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.905 6.238 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.784 5.580 14.959 1.00 0.00 H new ATOM 270 N THR A 18 -13.547 3.566 9.268 1.00 0.00 N ATOM 271 CA THR A 18 -12.381 3.796 8.403 1.00 0.00 C ATOM 272 C THR A 18 -11.137 4.068 9.276 1.00 0.00 C ATOM 273 O THR A 18 -11.189 4.883 10.201 1.00 0.00 O ATOM 274 CB THR A 18 -12.605 4.977 7.440 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.707 4.687 6.571 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.358 5.228 6.606 1.00 0.00 C ATOM 0 H THR A 18 -13.896 4.415 9.713 1.00 0.00 H new ATOM 0 HA THR A 18 -12.230 2.900 7.801 1.00 0.00 H new ATOM 0 HB THR A 18 -12.823 5.869 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.849 5.440 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.534 6.066 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.521 5.462 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.124 4.337 6.024 1.00 0.00 H new ATOM 284 N TYR A 19 -10.039 3.356 8.981 1.00 0.00 N ATOM 285 CA TYR A 19 -8.743 3.534 9.657 1.00 0.00 C ATOM 286 C TYR A 19 -7.694 4.021 8.643 1.00 0.00 C ATOM 287 O TYR A 19 -7.441 3.355 7.639 1.00 0.00 O ATOM 288 CB TYR A 19 -8.286 2.229 10.313 1.00 0.00 C ATOM 289 CG TYR A 19 -9.275 1.665 11.309 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.348 0.893 10.888 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.131 1.904 12.667 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.255 0.376 11.793 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.031 1.390 13.581 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.092 0.628 13.140 1.00 0.00 C ATOM 295 OH TYR A 19 -11.992 0.113 14.046 1.00 0.00 O ATOM 0 H TYR A 19 -10.024 2.634 8.261 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.857 4.282 10.442 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.105 1.487 9.535 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.335 2.401 10.817 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.477 0.693 9.835 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.302 2.502 13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.086 -0.221 11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.904 1.584 14.636 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.734 0.382 14.952 1.00 0.00 H new ATOM 305 N GLU A 20 -7.089 5.185 8.922 1.00 0.00 N ATOM 306 CA GLU A 20 -6.049 5.786 8.064 1.00 0.00 C ATOM 307 C GLU A 20 -4.819 6.173 8.900 1.00 0.00 C ATOM 308 O GLU A 20 -4.957 6.629 10.046 1.00 0.00 O ATOM 309 CB GLU A 20 -6.593 7.012 7.328 1.00 0.00 C ATOM 310 CG GLU A 20 -7.016 8.156 8.238 1.00 0.00 C ATOM 311 CD GLU A 20 -7.599 9.295 7.449 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.740 9.156 6.257 1.00 0.00 O ATOM 313 OE2 GLU A 20 -8.009 10.260 8.050 1.00 0.00 O ATOM 0 H GLU A 20 -7.305 5.740 9.750 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.751 5.044 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.830 7.375 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.449 6.708 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.750 7.797 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.156 8.508 8.807 1.00 0.00 H new ATOM 320 N ARG A 21 -3.622 5.974 8.315 1.00 0.00 N ATOM 321 CA ARG A 21 -2.335 6.293 8.961 1.00 0.00 C ATOM 322 C ARG A 21 -1.266 6.576 7.886 1.00 0.00 C ATOM 323 O ARG A 21 -1.228 5.897 6.856 1.00 0.00 O ATOM 324 CB ARG A 21 -1.887 5.214 9.935 1.00 0.00 C ATOM 325 CG ARG A 21 -0.689 5.584 10.794 1.00 0.00 C ATOM 326 CD ARG A 21 -0.376 4.604 11.865 1.00 0.00 C ATOM 327 NE ARG A 21 0.850 4.880 12.596 1.00 0.00 N ATOM 328 CZ ARG A 21 1.171 4.336 13.785 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.346 3.519 14.401 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.329 4.666 14.331 1.00 0.00 N ATOM 0 H ARG A 21 -3.521 5.586 7.377 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.475 7.193 9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.723 4.967 10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.647 4.313 9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.184 5.692 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.871 6.557 11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.207 4.578 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.304 3.611 11.421 1.00 0.00 H new ATOM 0 HE ARG A 21 1.514 5.532 12.178 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.553 3.288 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.605 3.116 15.301 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.952 5.317 13.852 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.600 4.270 15.231 1.00 0.00 H new ATOM 344 N THR A 22 -0.432 7.612 8.125 1.00 0.00 N ATOM 345 CA THR A 22 0.713 7.947 7.264 1.00 0.00 C ATOM 346 C THR A 22 1.990 7.314 7.857 1.00 0.00 C ATOM 347 O THR A 22 2.261 7.458 9.052 1.00 0.00 O ATOM 348 CB THR A 22 0.903 9.468 7.123 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.250 10.040 6.491 1.00 0.00 O ATOM 350 CG2 THR A 22 2.137 9.777 6.291 1.00 0.00 C ATOM 0 H THR A 22 -0.538 8.238 8.923 1.00 0.00 H new ATOM 0 HA THR A 22 0.517 7.549 6.268 1.00 0.00 H new ATOM 0 HB THR A 22 1.031 9.896 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.824 9.324 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.255 10.857 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.017 9.354 6.775 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.025 9.342 5.298 1.00 0.00 H new ATOM 358 N TYR A 23 2.742 6.598 7.012 1.00 0.00 N ATOM 359 CA TYR A 23 3.981 5.896 7.412 1.00 0.00 C ATOM 360 C TYR A 23 5.155 6.547 6.669 1.00 0.00 C ATOM 361 O TYR A 23 5.012 6.890 5.503 1.00 0.00 O ATOM 362 CB TYR A 23 3.904 4.401 7.097 1.00 0.00 C ATOM 363 CG TYR A 23 2.863 3.656 7.905 1.00 0.00 C ATOM 364 CD1 TYR A 23 1.556 3.546 7.454 1.00 0.00 C ATOM 365 CD2 TYR A 23 3.193 3.065 9.115 1.00 0.00 C ATOM 366 CE1 TYR A 23 0.602 2.868 8.188 1.00 0.00 C ATOM 367 CE2 TYR A 23 2.246 2.384 9.857 1.00 0.00 C ATOM 368 CZ TYR A 23 0.952 2.289 9.391 1.00 0.00 C ATOM 369 OH TYR A 23 0.006 1.611 10.125 1.00 0.00 O ATOM 0 H TYR A 23 2.512 6.485 6.025 1.00 0.00 H new ATOM 0 HA TYR A 23 4.119 5.984 8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.686 4.274 6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.880 3.951 7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.279 3.998 6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.206 3.138 9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.411 2.792 7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.519 1.928 10.797 1.00 0.00 H new ATOM 0 HH TYR A 23 0.439 1.159 10.879 1.00 0.00 H new ATOM 379 N GLN A 24 6.306 6.710 7.333 1.00 0.00 N ATOM 380 CA GLN A 24 7.539 7.153 6.658 1.00 0.00 C ATOM 381 C GLN A 24 8.429 5.916 6.454 1.00 0.00 C ATOM 382 O GLN A 24 8.801 5.257 7.428 1.00 0.00 O ATOM 383 CB GLN A 24 8.276 8.217 7.474 1.00 0.00 C ATOM 384 CG GLN A 24 7.486 9.498 7.686 1.00 0.00 C ATOM 385 CD GLN A 24 8.250 10.522 8.502 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.420 10.318 8.842 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.595 11.631 8.823 1.00 0.00 N ATOM 0 H GLN A 24 6.412 6.543 8.334 1.00 0.00 H new ATOM 0 HA GLN A 24 7.289 7.610 5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.535 7.798 8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.212 8.460 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.230 9.928 6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.548 9.264 8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.629 11.758 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.058 12.356 9.372 1.00 0.00 H new ATOM 396 N LEU A 25 8.730 5.581 5.187 1.00 0.00 N ATOM 397 CA LEU A 25 9.585 4.431 4.833 1.00 0.00 C ATOM 398 C LEU A 25 10.913 4.948 4.268 1.00 0.00 C ATOM 399 O LEU A 25 10.960 5.567 3.201 1.00 0.00 O ATOM 400 CB LEU A 25 8.867 3.479 3.824 1.00 0.00 C ATOM 401 CG LEU A 25 7.516 2.868 4.308 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.948 1.851 3.293 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.654 2.232 5.709 1.00 0.00 C ATOM 0 H LEU A 25 8.388 6.100 4.378 1.00 0.00 H new ATOM 0 HA LEU A 25 9.785 3.844 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.685 4.030 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.546 2.662 3.579 1.00 0.00 H new ATOM 0 HG LEU A 25 6.804 3.690 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.007 1.449 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.775 2.348 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.661 1.038 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.694 1.816 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.400 1.438 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.965 2.993 6.425 1.00 0.00 H new ATOM 415 N TYR A 26 11.981 4.708 5.029 1.00 0.00 N ATOM 416 CA TYR A 26 13.347 5.122 4.689 1.00 0.00 C ATOM 417 C TYR A 26 14.170 3.881 4.309 1.00 0.00 C ATOM 418 O TYR A 26 14.414 3.018 5.159 1.00 0.00 O ATOM 419 CB TYR A 26 14.000 5.866 5.855 1.00 0.00 C ATOM 420 CG TYR A 26 15.301 6.548 5.494 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.309 7.728 4.766 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.519 6.010 5.885 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.495 8.356 4.433 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.709 6.628 5.559 1.00 0.00 C ATOM 425 CZ TYR A 26 17.694 7.801 4.833 1.00 0.00 C ATOM 426 OH TYR A 26 18.878 8.422 4.507 1.00 0.00 O ATOM 0 H TYR A 26 11.922 4.210 5.917 1.00 0.00 H new ATOM 0 HA TYR A 26 13.311 5.807 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.302 6.613 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.183 5.161 6.666 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.372 8.165 4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.536 5.092 6.454 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.483 9.274 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.648 6.195 5.871 1.00 0.00 H new ATOM 0 HH TYR A 26 19.629 7.903 4.864 1.00 0.00 H new ATOM 436 N ALA A 27 14.615 3.808 3.045 1.00 0.00 N ATOM 437 CA ALA A 27 15.246 2.596 2.499 1.00 0.00 C ATOM 438 C ALA A 27 16.349 2.947 1.507 1.00 0.00 C ATOM 439 O ALA A 27 16.279 3.980 0.829 1.00 0.00 O ATOM 440 CB ALA A 27 14.204 1.696 1.828 1.00 0.00 C ATOM 0 H ALA A 27 14.549 4.578 2.379 1.00 0.00 H new ATOM 0 HA ALA A 27 15.694 2.055 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.693 0.806 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.452 1.401 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.724 2.239 1.014 1.00 0.00 H new ATOM 446 N VAL A 28 17.354 2.058 1.441 1.00 0.00 N ATOM 447 CA VAL A 28 18.492 2.170 0.526 1.00 0.00 C ATOM 448 C VAL A 28 18.147 1.486 -0.815 1.00 0.00 C ATOM 449 O VAL A 28 18.373 2.038 -1.890 1.00 0.00 O ATOM 450 CB VAL A 28 19.766 1.538 1.118 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.873 1.493 0.075 1.00 0.00 C ATOM 452 CG2 VAL A 28 20.223 2.312 2.345 1.00 0.00 C ATOM 0 H VAL A 28 17.395 1.229 2.034 1.00 0.00 H new ATOM 0 HA VAL A 28 18.690 3.230 0.365 1.00 0.00 H new ATOM 0 HB VAL A 28 19.535 0.516 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.765 1.044 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.546 0.897 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 28 21.102 2.506 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 28 21.124 1.852 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.436 3.344 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.436 2.296 3.099 1.00 0.00 H new ATOM 462 N ARG A 29 17.551 0.284 -0.731 1.00 0.00 N ATOM 463 CA ARG A 29 17.246 -0.560 -1.910 1.00 0.00 C ATOM 464 C ARG A 29 15.726 -0.654 -2.115 1.00 0.00 C ATOM 465 O ARG A 29 14.952 -0.478 -1.169 1.00 0.00 O ATOM 466 CB ARG A 29 17.885 -1.938 -1.827 1.00 0.00 C ATOM 467 CG ARG A 29 19.406 -1.939 -1.825 1.00 0.00 C ATOM 468 CD ARG A 29 20.018 -3.290 -1.762 1.00 0.00 C ATOM 469 NE ARG A 29 21.472 -3.296 -1.787 1.00 0.00 N ATOM 470 CZ ARG A 29 22.237 -4.387 -1.590 1.00 0.00 C ATOM 471 NH1 ARG A 29 21.695 -5.553 -1.317 1.00 0.00 N ATOM 472 NH2 ARG A 29 23.549 -4.250 -1.655 1.00 0.00 N ATOM 0 H ARG A 29 17.265 -0.134 0.154 1.00 0.00 H new ATOM 0 HA ARG A 29 17.688 -0.077 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.535 -2.431 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.537 -2.535 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.759 -1.435 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.757 -1.355 -0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.681 -3.785 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.651 -3.881 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 29 21.946 -2.411 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.681 -5.641 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 29 22.288 -6.370 -1.171 1.00 0.00 H new ATOM 0 HH21 ARG A 29 23.957 -3.336 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 24.154 -5.058 -1.510 1.00 0.00 H new ATOM 486 N ASP A 30 15.318 -0.942 -3.361 1.00 0.00 N ATOM 487 CA ASP A 30 13.898 -1.119 -3.738 1.00 0.00 C ATOM 488 C ASP A 30 13.283 -2.305 -2.969 1.00 0.00 C ATOM 489 O ASP A 30 12.138 -2.231 -2.519 1.00 0.00 O ATOM 490 CB ASP A 30 13.760 -1.338 -5.247 1.00 0.00 C ATOM 491 CG ASP A 30 13.998 -0.091 -6.087 1.00 0.00 C ATOM 492 OD1 ASP A 30 14.044 0.979 -5.529 1.00 0.00 O ATOM 493 OD2 ASP A 30 14.288 -0.231 -7.252 1.00 0.00 O ATOM 0 H ASP A 30 15.963 -1.060 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 30 13.359 -0.210 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.465 -2.110 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.760 -1.718 -5.457 1.00 0.00 H new ATOM 498 N GLU A 31 14.078 -3.396 -2.842 1.00 0.00 N ATOM 499 CA GLU A 31 13.679 -4.646 -2.164 1.00 0.00 C ATOM 500 C GLU A 31 13.457 -4.409 -0.656 1.00 0.00 C ATOM 501 O GLU A 31 12.565 -5.000 -0.048 1.00 0.00 O ATOM 502 CB GLU A 31 14.735 -5.734 -2.375 1.00 0.00 C ATOM 503 CG GLU A 31 14.862 -6.214 -3.815 1.00 0.00 C ATOM 504 CD GLU A 31 13.540 -6.685 -4.352 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.910 -7.486 -3.706 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.108 -6.162 -5.353 1.00 0.00 O ATOM 0 H GLU A 31 15.027 -3.429 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 31 12.739 -4.979 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.702 -5.354 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.493 -6.586 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.243 -5.405 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.588 -7.025 -3.868 1.00 0.00 H new ATOM 513 N GLU A 32 14.269 -3.493 -0.084 1.00 0.00 N ATOM 514 CA GLU A 32 14.139 -3.057 1.322 1.00 0.00 C ATOM 515 C GLU A 32 12.798 -2.329 1.557 1.00 0.00 C ATOM 516 O GLU A 32 12.176 -2.497 2.598 1.00 0.00 O ATOM 517 CB GLU A 32 15.307 -2.147 1.711 1.00 0.00 C ATOM 518 CG GLU A 32 16.642 -2.863 1.849 1.00 0.00 C ATOM 519 CD GLU A 32 17.766 -1.887 2.061 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.527 -0.707 1.972 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.836 -2.315 2.423 1.00 0.00 O ATOM 0 H GLU A 32 15.032 -3.036 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 32 14.159 -3.947 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.405 -1.362 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.071 -1.658 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.599 -3.559 2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.835 -3.454 0.953 1.00 0.00 H new ATOM 528 N LEU A 33 12.390 -1.494 0.582 1.00 0.00 N ATOM 529 CA LEU A 33 11.103 -0.772 0.620 1.00 0.00 C ATOM 530 C LEU A 33 9.920 -1.776 0.471 1.00 0.00 C ATOM 531 O LEU A 33 8.916 -1.647 1.167 1.00 0.00 O ATOM 532 CB LEU A 33 11.068 0.347 -0.492 1.00 0.00 C ATOM 533 CG LEU A 33 10.213 1.644 -0.192 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.715 1.350 -0.011 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.759 2.427 1.019 1.00 0.00 C ATOM 0 H LEU A 33 12.942 -1.301 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 33 10.997 -0.277 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.094 0.658 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.689 -0.102 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 33 10.312 2.270 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.184 2.280 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.320 0.898 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.577 0.664 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.143 3.310 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.735 1.791 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.786 2.734 0.821 1.00 0.00 H new ATOM 547 N LYS A 34 10.074 -2.788 -0.415 1.00 0.00 N ATOM 548 CA LYS A 34 9.022 -3.808 -0.686 1.00 0.00 C ATOM 549 C LYS A 34 8.557 -4.547 0.597 1.00 0.00 C ATOM 550 O LYS A 34 7.349 -4.678 0.841 1.00 0.00 O ATOM 551 CB LYS A 34 9.527 -4.826 -1.711 1.00 0.00 C ATOM 552 CG LYS A 34 9.480 -4.342 -3.154 1.00 0.00 C ATOM 553 CD LYS A 34 10.121 -5.349 -4.096 1.00 0.00 C ATOM 554 CE LYS A 34 9.451 -6.711 -3.992 1.00 0.00 C ATOM 555 NZ LYS A 34 10.179 -7.751 -4.767 1.00 0.00 N ATOM 0 H LYS A 34 10.924 -2.924 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 34 8.159 -3.273 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.554 -5.093 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.932 -5.735 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.445 -4.173 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.995 -3.385 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.052 -4.985 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.181 -5.445 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.398 -7.010 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.426 -6.639 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.689 -8.663 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.208 -7.479 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.150 -7.839 -4.404 1.00 0.00 H new ATOM 569 N GLU A 35 9.534 -5.040 1.394 1.00 0.00 N ATOM 570 CA GLU A 35 9.271 -5.728 2.682 1.00 0.00 C ATOM 571 C GLU A 35 8.643 -4.769 3.719 1.00 0.00 C ATOM 572 O GLU A 35 7.823 -5.186 4.535 1.00 0.00 O ATOM 573 CB GLU A 35 10.562 -6.328 3.243 1.00 0.00 C ATOM 574 CG GLU A 35 11.681 -5.320 3.461 1.00 0.00 C ATOM 575 CD GLU A 35 12.906 -5.978 4.032 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.888 -7.173 4.209 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.900 -5.309 4.186 1.00 0.00 O ATOM 0 H GLU A 35 10.525 -4.973 1.164 1.00 0.00 H new ATOM 0 HA GLU A 35 8.559 -6.530 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.339 -6.816 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.915 -7.102 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.931 -4.841 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.340 -4.535 4.136 1.00 0.00 H new ATOM 584 N LYS A 36 9.041 -3.481 3.649 1.00 0.00 N ATOM 585 CA LYS A 36 8.490 -2.410 4.497 1.00 0.00 C ATOM 586 C LYS A 36 7.021 -2.151 4.151 1.00 0.00 C ATOM 587 O LYS A 36 6.214 -1.918 5.039 1.00 0.00 O ATOM 588 CB LYS A 36 9.301 -1.123 4.344 1.00 0.00 C ATOM 589 CG LYS A 36 10.672 -1.160 5.008 1.00 0.00 C ATOM 590 CD LYS A 36 11.433 0.138 4.781 1.00 0.00 C ATOM 591 CE LYS A 36 12.843 0.061 5.346 1.00 0.00 C ATOM 592 NZ LYS A 36 12.843 -0.073 6.828 1.00 0.00 N ATOM 0 H LYS A 36 9.757 -3.157 2.999 1.00 0.00 H new ATOM 0 HA LYS A 36 8.553 -2.737 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.431 -0.914 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.729 -0.296 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.555 -1.333 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.248 -1.996 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.479 0.353 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.896 0.963 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.364 -0.789 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.396 0.956 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.818 -0.003 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.267 0.686 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.444 -0.996 7.093 1.00 0.00 H new ATOM 606 N LEU A 37 6.713 -2.190 2.842 1.00 0.00 N ATOM 607 CA LEU A 37 5.343 -2.074 2.324 1.00 0.00 C ATOM 608 C LEU A 37 4.480 -3.237 2.839 1.00 0.00 C ATOM 609 O LEU A 37 3.344 -3.013 3.247 1.00 0.00 O ATOM 610 CB LEU A 37 5.348 -2.044 0.791 1.00 0.00 C ATOM 611 CG LEU A 37 5.864 -0.743 0.165 1.00 0.00 C ATOM 612 CD1 LEU A 37 6.092 -0.935 -1.328 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.863 0.375 0.418 1.00 0.00 C ATOM 0 H LEU A 37 7.415 -2.304 2.111 1.00 0.00 H new ATOM 0 HA LEU A 37 4.914 -1.138 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.960 -2.870 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.332 -2.221 0.437 1.00 0.00 H new ATOM 0 HG LEU A 37 6.816 -0.473 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.458 -0.005 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.828 -1.724 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.153 -1.214 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.230 1.300 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.904 0.113 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.737 0.514 1.492 1.00 0.00 H new ATOM 625 N LYS A 38 5.062 -4.468 2.859 1.00 0.00 N ATOM 626 CA LYS A 38 4.387 -5.672 3.399 1.00 0.00 C ATOM 627 C LYS A 38 4.059 -5.495 4.895 1.00 0.00 C ATOM 628 O LYS A 38 2.955 -5.815 5.317 1.00 0.00 O ATOM 629 CB LYS A 38 5.255 -6.914 3.196 1.00 0.00 C ATOM 630 CG LYS A 38 5.423 -7.333 1.741 1.00 0.00 C ATOM 631 CD LYS A 38 6.360 -8.524 1.613 1.00 0.00 C ATOM 632 CE LYS A 38 6.601 -8.886 0.155 1.00 0.00 C ATOM 633 NZ LYS A 38 7.581 -9.997 0.011 1.00 0.00 N ATOM 0 H LYS A 38 6.001 -4.648 2.505 1.00 0.00 H new ATOM 0 HA LYS A 38 3.453 -5.804 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.240 -6.728 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.817 -7.743 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.450 -7.586 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.814 -6.496 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.311 -8.294 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.936 -9.381 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.657 -9.173 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.965 -8.009 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.806 -10.133 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.450 -9.763 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.172 -10.873 0.396 1.00 0.00 H new ATOM 647 N LYS A 39 5.026 -4.942 5.668 1.00 0.00 N ATOM 648 CA LYS A 39 4.858 -4.685 7.117 1.00 0.00 C ATOM 649 C LYS A 39 3.730 -3.668 7.371 1.00 0.00 C ATOM 650 O LYS A 39 2.888 -3.918 8.210 1.00 0.00 O ATOM 651 CB LYS A 39 6.165 -4.183 7.731 1.00 0.00 C ATOM 652 CG LYS A 39 7.255 -5.240 7.843 1.00 0.00 C ATOM 653 CD LYS A 39 8.521 -4.668 8.461 1.00 0.00 C ATOM 654 CE LYS A 39 9.622 -5.715 8.541 1.00 0.00 C ATOM 655 NZ LYS A 39 10.875 -5.163 9.126 1.00 0.00 N ATOM 0 H LYS A 39 5.938 -4.664 5.306 1.00 0.00 H new ATOM 0 HA LYS A 39 4.586 -5.627 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.540 -3.355 7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.957 -3.787 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.896 -6.072 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.479 -5.640 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.866 -3.820 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.302 -4.291 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.280 -6.556 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.828 -6.102 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.599 -5.909 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.217 -4.377 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.686 -4.817 10.088 1.00 0.00 H new ATOM 669 N VAL A 40 3.710 -2.576 6.575 1.00 0.00 N ATOM 670 CA VAL A 40 2.665 -1.510 6.602 1.00 0.00 C ATOM 671 C VAL A 40 1.271 -2.059 6.217 1.00 0.00 C ATOM 672 O VAL A 40 0.272 -1.785 6.898 1.00 0.00 O ATOM 673 CB VAL A 40 3.018 -0.349 5.653 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.822 0.574 5.475 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.214 0.427 6.183 1.00 0.00 C ATOM 0 H VAL A 40 4.433 -2.401 5.877 1.00 0.00 H new ATOM 0 HA VAL A 40 2.633 -1.144 7.628 1.00 0.00 H new ATOM 0 HB VAL A 40 3.281 -0.766 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.088 1.389 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.989 0.012 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.531 0.983 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.450 1.243 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.977 0.833 7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.073 -0.239 6.263 1.00 0.00 H new ATOM 685 N LEU A 41 1.248 -2.862 5.139 1.00 0.00 N ATOM 686 CA LEU A 41 0.035 -3.531 4.650 1.00 0.00 C ATOM 687 C LEU A 41 -0.531 -4.489 5.720 1.00 0.00 C ATOM 688 O LEU A 41 -1.718 -4.451 5.994 1.00 0.00 O ATOM 689 CB LEU A 41 0.335 -4.288 3.351 1.00 0.00 C ATOM 690 CG LEU A 41 0.491 -3.407 2.104 1.00 0.00 C ATOM 691 CD1 LEU A 41 1.069 -4.225 0.956 1.00 0.00 C ATOM 692 CD2 LEU A 41 -0.860 -2.821 1.723 1.00 0.00 C ATOM 0 H LEU A 41 2.077 -3.065 4.581 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.719 -2.772 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.251 -4.863 3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.467 -5.004 3.173 1.00 0.00 H new ATOM 0 HG LEU A 41 1.179 -2.589 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.176 -3.591 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.045 -4.615 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.400 -5.054 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.749 -2.195 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.560 -3.629 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.241 -2.218 2.547 1.00 0.00 H new ATOM 704 N ASN A 42 0.346 -5.289 6.359 1.00 0.00 N ATOM 705 CA ASN A 42 -0.038 -6.201 7.469 1.00 0.00 C ATOM 706 C ASN A 42 -0.466 -5.453 8.752 1.00 0.00 C ATOM 707 O ASN A 42 -1.414 -5.881 9.424 1.00 0.00 O ATOM 708 CB ASN A 42 1.089 -7.164 7.794 1.00 0.00 C ATOM 709 CG ASN A 42 1.279 -8.245 6.765 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.367 -8.561 5.993 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.430 -8.867 6.805 1.00 0.00 N ATOM 0 H ASN A 42 1.338 -5.325 6.126 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.906 -6.756 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.018 -6.602 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.892 -7.626 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.607 -9.653 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.150 -8.566 7.462 1.00 0.00 H new ATOM 718 N GLU A 43 0.221 -4.341 9.094 1.00 0.00 N ATOM 719 CA GLU A 43 -0.059 -3.595 10.333 1.00 0.00 C ATOM 720 C GLU A 43 -1.479 -3.020 10.248 1.00 0.00 C ATOM 721 O GLU A 43 -2.251 -3.066 11.214 1.00 0.00 O ATOM 722 CB GLU A 43 0.963 -2.477 10.553 1.00 0.00 C ATOM 723 CG GLU A 43 0.904 -1.832 11.931 1.00 0.00 C ATOM 724 CD GLU A 43 1.880 -0.695 12.045 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.038 -0.900 11.770 1.00 0.00 O ATOM 726 OE2 GLU A 43 1.450 0.407 12.297 1.00 0.00 O ATOM 0 H GLU A 43 0.971 -3.944 8.528 1.00 0.00 H new ATOM 0 HA GLU A 43 0.018 -4.272 11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.964 -2.880 10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.808 -1.706 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.106 -1.468 12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.122 -2.579 12.694 1.00 0.00 H new ATOM 733 N ARG A 44 -1.819 -2.527 9.043 1.00 0.00 N ATOM 734 CA ARG A 44 -3.137 -1.954 8.747 1.00 0.00 C ATOM 735 C ARG A 44 -4.245 -3.040 8.736 1.00 0.00 C ATOM 736 O ARG A 44 -5.416 -2.728 8.952 1.00 0.00 O ATOM 737 CB ARG A 44 -3.126 -1.151 7.455 1.00 0.00 C ATOM 738 CG ARG A 44 -2.329 0.142 7.513 1.00 0.00 C ATOM 739 CD ARG A 44 -3.011 1.250 8.230 1.00 0.00 C ATOM 740 NE ARG A 44 -2.691 1.338 9.646 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.442 1.980 10.562 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.534 2.622 10.212 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.037 1.968 11.820 1.00 0.00 N ATOM 0 H ARG A 44 -1.182 -2.517 8.247 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.373 -1.260 9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.720 -1.776 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.155 -0.915 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.374 -0.056 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.108 0.465 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.747 2.193 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.089 1.128 8.121 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.838 0.881 9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.824 2.639 9.234 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.091 3.103 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.177 1.482 12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.584 2.445 12.536 1.00 0.00 H new ATOM 757 N MET A 45 -3.853 -4.312 8.492 1.00 0.00 N ATOM 758 CA MET A 45 -4.800 -5.458 8.470 1.00 0.00 C ATOM 759 C MET A 45 -4.906 -6.164 9.834 1.00 0.00 C ATOM 760 O MET A 45 -5.890 -6.882 10.073 1.00 0.00 O ATOM 761 CB MET A 45 -4.379 -6.465 7.402 1.00 0.00 C ATOM 762 CG MET A 45 -4.506 -5.957 5.973 1.00 0.00 C ATOM 763 SD MET A 45 -6.192 -5.468 5.556 1.00 0.00 S ATOM 764 CE MET A 45 -7.020 -7.055 5.585 1.00 0.00 C ATOM 0 H MET A 45 -2.885 -4.574 8.307 1.00 0.00 H new ATOM 0 HA MET A 45 -5.784 -5.053 8.235 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.343 -6.754 7.581 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.985 -7.365 7.510 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.840 -5.105 5.834 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.177 -6.735 5.284 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.998 -6.964 5.112 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.422 -7.788 5.044 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.146 -7.381 6.617 1.00 0.00 H new ATOM 774 N ASP A 46 -3.907 -5.965 10.709 1.00 0.00 N ATOM 775 CA ASP A 46 -3.860 -6.647 12.021 1.00 0.00 C ATOM 776 C ASP A 46 -5.160 -6.403 12.861 1.00 0.00 C ATOM 777 O ASP A 46 -5.833 -7.382 13.219 1.00 0.00 O ATOM 778 CB ASP A 46 -2.631 -6.184 12.805 1.00 0.00 C ATOM 779 CG ASP A 46 -1.325 -6.840 12.375 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.379 -7.793 11.633 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.288 -6.294 12.659 1.00 0.00 O ATOM 0 H ASP A 46 -3.120 -5.339 10.536 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.792 -7.718 11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.533 -5.104 12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.793 -6.386 13.864 1.00 0.00 H new ATOM 786 N PRO A 47 -5.557 -5.112 13.189 1.00 0.00 N ATOM 787 CA PRO A 47 -6.820 -4.842 13.931 1.00 0.00 C ATOM 788 C PRO A 47 -8.082 -5.130 13.082 1.00 0.00 C ATOM 789 O PRO A 47 -9.127 -5.423 13.636 1.00 0.00 O ATOM 790 CB PRO A 47 -6.715 -3.361 14.308 1.00 0.00 C ATOM 791 CG PRO A 47 -5.861 -2.765 13.241 1.00 0.00 C ATOM 792 CD PRO A 47 -4.837 -3.820 12.915 1.00 0.00 C ATOM 0 HA PRO A 47 -6.930 -5.492 14.799 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.697 -2.889 14.341 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.267 -3.233 15.293 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.452 -2.506 12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.384 -1.847 13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.512 -3.755 11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.946 -3.719 13.535 1.00 0.00 H new ATOM 800 N ILE A 48 -7.935 -5.099 11.738 1.00 0.00 N ATOM 801 CA ILE A 48 -9.058 -5.230 10.771 1.00 0.00 C ATOM 802 C ILE A 48 -9.533 -6.695 10.650 1.00 0.00 C ATOM 803 O ILE A 48 -10.720 -6.955 10.398 1.00 0.00 O ATOM 804 CB ILE A 48 -8.639 -4.670 9.356 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.224 -3.166 9.464 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.738 -4.869 8.277 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.292 -2.224 9.982 1.00 0.00 C ATOM 0 H ILE A 48 -7.028 -4.982 11.287 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.891 -4.639 11.151 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.778 -5.252 9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.355 -3.094 10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.911 -2.823 8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.392 -4.464 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.948 -5.933 8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.646 -4.350 8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.896 -1.209 10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.157 -2.255 9.319 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.592 -2.530 10.984 1.00 0.00 H new ATOM 819 N LYS A 49 -8.593 -7.636 10.845 1.00 0.00 N ATOM 820 CA LYS A 49 -8.896 -9.084 10.857 1.00 0.00 C ATOM 821 C LYS A 49 -9.659 -9.442 12.138 1.00 0.00 C ATOM 822 O LYS A 49 -10.588 -10.255 12.122 1.00 0.00 O ATOM 823 CB LYS A 49 -7.616 -9.915 10.750 1.00 0.00 C ATOM 824 CG LYS A 49 -6.948 -9.868 9.382 1.00 0.00 C ATOM 825 CD LYS A 49 -5.675 -10.702 9.359 1.00 0.00 C ATOM 826 CE LYS A 49 -4.999 -10.644 7.997 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.760 -11.466 7.955 1.00 0.00 N ATOM 0 H LYS A 49 -7.608 -7.420 10.998 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.517 -9.315 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.906 -9.565 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.849 -10.952 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.640 -10.236 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.713 -8.835 9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.988 -10.341 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.912 -11.737 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.693 -10.994 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.756 -9.609 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.331 -11.399 7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.087 -11.116 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.995 -12.458 8.159 1.00 0.00 H new ATOM 841 N LYS A 50 -9.250 -8.783 13.236 1.00 0.00 N ATOM 842 CA LYS A 50 -9.901 -8.878 14.552 1.00 0.00 C ATOM 843 C LYS A 50 -11.337 -8.282 14.485 1.00 0.00 C ATOM 844 O LYS A 50 -12.206 -8.660 15.279 1.00 0.00 O ATOM 845 CB LYS A 50 -9.067 -8.160 15.615 1.00 0.00 C ATOM 846 CG LYS A 50 -7.770 -8.869 15.982 1.00 0.00 C ATOM 847 CD LYS A 50 -7.187 -8.322 17.276 1.00 0.00 C ATOM 848 CE LYS A 50 -6.519 -6.972 17.056 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.803 -6.501 18.273 1.00 0.00 N ATOM 0 H LYS A 50 -8.443 -8.159 13.233 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.975 -9.929 14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.830 -7.158 15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.670 -8.043 16.515 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.955 -9.938 16.087 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.047 -8.749 15.175 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.978 -8.222 18.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.460 -9.028 17.677 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.815 -7.046 16.227 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.272 -6.237 16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.362 -5.579 18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.478 -6.405 19.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.067 -7.189 18.531 1.00 0.00 H new ATOM 863 N LEU A 51 -11.584 -7.375 13.508 1.00 0.00 N ATOM 864 CA LEU A 51 -12.923 -6.769 13.277 1.00 0.00 C ATOM 865 C LEU A 51 -13.777 -7.680 12.372 1.00 0.00 C ATOM 866 O LEU A 51 -14.998 -7.773 12.548 1.00 0.00 O ATOM 867 CB LEU A 51 -12.783 -5.375 12.653 1.00 0.00 C ATOM 868 CG LEU A 51 -12.141 -4.315 13.558 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.933 -3.022 12.781 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.028 -4.079 14.771 1.00 0.00 C ATOM 0 H LEU A 51 -10.868 -7.044 12.861 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.425 -6.667 14.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.190 -5.460 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.772 -5.026 12.357 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.168 -4.668 13.899 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.477 -2.276 13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.278 -3.210 11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.895 -2.653 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.572 -3.326 15.414 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.008 -3.731 14.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.141 -5.010 15.326 1.00 0.00 H new ATOM 882 N GLY A 52 -13.111 -8.351 11.416 1.00 0.00 N ATOM 883 CA GLY A 52 -13.713 -9.432 10.636 1.00 0.00 C ATOM 884 C GLY A 52 -14.840 -8.955 9.729 1.00 0.00 C ATOM 885 O GLY A 52 -15.925 -9.550 9.695 1.00 0.00 O ATOM 0 H GLY A 52 -12.141 -8.155 11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.942 -9.908 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.098 -10.192 11.316 1.00 0.00 H new ATOM 889 N CYS A 53 -14.586 -7.854 9.022 1.00 0.00 N ATOM 890 CA CYS A 53 -15.541 -7.266 8.079 1.00 0.00 C ATOM 891 C CYS A 53 -15.474 -8.052 6.762 1.00 0.00 C ATOM 892 O CYS A 53 -14.371 -8.349 6.289 1.00 0.00 O ATOM 893 CB CYS A 53 -15.199 -5.780 7.847 1.00 0.00 C ATOM 894 SG CYS A 53 -15.148 -4.780 9.374 1.00 0.00 S ATOM 0 H CYS A 53 -13.707 -7.341 9.087 1.00 0.00 H new ATOM 0 HA CYS A 53 -16.553 -7.321 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.231 -5.714 7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -15.936 -5.350 7.168 1.00 0.00 H new ATOM 899 N LYS A 54 -16.649 -8.425 6.211 1.00 0.00 N ATOM 900 CA LYS A 54 -16.735 -9.279 5.010 1.00 0.00 C ATOM 901 C LYS A 54 -15.900 -8.676 3.867 1.00 0.00 C ATOM 902 O LYS A 54 -14.842 -9.206 3.525 1.00 0.00 O ATOM 903 CB LYS A 54 -18.190 -9.454 4.570 1.00 0.00 C ATOM 904 CG LYS A 54 -18.380 -10.394 3.388 1.00 0.00 C ATOM 905 CD LYS A 54 -19.856 -10.598 3.075 1.00 0.00 C ATOM 906 CE LYS A 54 -20.045 -11.416 1.806 1.00 0.00 C ATOM 907 NZ LYS A 54 -21.483 -11.661 1.511 1.00 0.00 N ATOM 0 H LYS A 54 -17.556 -8.145 6.583 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.333 -10.261 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.770 -9.829 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.599 -8.477 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.873 -9.988 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.916 -11.356 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -20.341 -11.103 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -20.343 -9.629 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.586 -10.894 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.528 -12.370 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.568 -12.221 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.916 -12.182 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.972 -10.751 1.387 1.00 0.00 H new ATOM 921 N ARG A 55 -16.351 -7.536 3.316 1.00 0.00 N ATOM 922 CA ARG A 55 -15.616 -6.861 2.242 1.00 0.00 C ATOM 923 C ARG A 55 -14.874 -5.647 2.817 1.00 0.00 C ATOM 924 O ARG A 55 -15.415 -4.920 3.661 1.00 0.00 O ATOM 925 CB ARG A 55 -16.508 -6.480 1.069 1.00 0.00 C ATOM 926 CG ARG A 55 -15.777 -5.885 -0.124 1.00 0.00 C ATOM 927 CD ARG A 55 -16.649 -5.581 -1.288 1.00 0.00 C ATOM 928 NE ARG A 55 -15.948 -5.045 -2.443 1.00 0.00 N ATOM 929 CZ ARG A 55 -16.546 -4.644 -3.582 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.846 -4.749 -3.738 1.00 0.00 N ATOM 931 NH2 ARG A 55 -15.784 -4.161 -4.549 1.00 0.00 N ATOM 0 H ARG A 55 -17.214 -7.069 3.596 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.887 -7.562 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -17.049 -7.367 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.252 -5.763 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.279 -4.968 0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.998 -6.579 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.168 -6.492 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.411 -4.866 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.933 -4.967 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.420 -5.139 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.282 -4.440 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.774 -4.101 -4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.206 -3.849 -5.423 1.00 0.00 H new ATOM 945 N VAL A 56 -13.631 -5.461 2.365 1.00 0.00 N ATOM 946 CA VAL A 56 -12.740 -4.386 2.816 1.00 0.00 C ATOM 947 C VAL A 56 -12.147 -3.692 1.584 1.00 0.00 C ATOM 948 O VAL A 56 -11.995 -4.313 0.517 1.00 0.00 O ATOM 949 CB VAL A 56 -11.604 -4.909 3.716 1.00 0.00 C ATOM 950 CG1 VAL A 56 -12.170 -5.515 4.992 1.00 0.00 C ATOM 951 CG2 VAL A 56 -10.762 -5.933 2.970 1.00 0.00 C ATOM 0 H VAL A 56 -13.206 -6.065 1.661 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.325 -3.685 3.412 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.966 -4.068 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.353 -5.879 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.732 -4.756 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.831 -6.344 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.964 -6.292 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.390 -6.772 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.327 -5.470 2.084 1.00 0.00 H new ATOM 961 N ARG A 57 -11.875 -2.393 1.717 1.00 0.00 N ATOM 962 CA ARG A 57 -11.297 -1.588 0.645 1.00 0.00 C ATOM 963 C ARG A 57 -10.116 -0.808 1.231 1.00 0.00 C ATOM 964 O ARG A 57 -10.222 -0.222 2.320 1.00 0.00 O ATOM 965 CB ARG A 57 -12.312 -0.683 -0.036 1.00 0.00 C ATOM 966 CG ARG A 57 -11.710 0.420 -0.894 1.00 0.00 C ATOM 967 CD ARG A 57 -12.711 1.318 -1.526 1.00 0.00 C ATOM 968 NE ARG A 57 -13.462 0.713 -2.615 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.647 1.162 -3.069 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.239 2.195 -2.512 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.212 0.522 -4.079 1.00 0.00 N ATOM 0 H ARG A 57 -12.051 -1.870 2.575 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.949 -2.246 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.962 -1.296 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.941 -0.227 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.040 1.019 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.102 -0.035 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.411 1.655 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.199 2.204 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.062 -0.110 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.800 2.670 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.137 2.522 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.750 -0.288 -4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.110 0.838 -4.445 1.00 0.00 H new ATOM 985 N ILE A 58 -8.979 -0.877 0.539 1.00 0.00 N ATOM 986 CA ILE A 58 -7.758 -0.170 0.920 1.00 0.00 C ATOM 987 C ILE A 58 -7.415 0.781 -0.242 1.00 0.00 C ATOM 988 O ILE A 58 -7.410 0.378 -1.405 1.00 0.00 O ATOM 989 CB ILE A 58 -6.584 -1.126 1.196 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.956 -2.124 2.296 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.340 -0.341 1.585 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.969 -3.261 2.447 1.00 0.00 C ATOM 0 H ILE A 58 -8.879 -1.432 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.925 0.373 1.850 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.368 -1.683 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.033 -1.593 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.942 -2.537 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.519 -1.032 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.066 0.332 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.543 0.240 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.300 -3.926 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.909 -3.818 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.986 -2.859 2.693 1.00 0.00 H new ATOM 1004 N SER A 59 -7.154 2.048 0.083 1.00 0.00 N ATOM 1005 CA SER A 59 -6.611 3.031 -0.850 1.00 0.00 C ATOM 1006 C SER A 59 -5.282 3.531 -0.273 1.00 0.00 C ATOM 1007 O SER A 59 -5.199 3.915 0.903 1.00 0.00 O ATOM 1008 CB SER A 59 -7.586 4.173 -1.064 1.00 0.00 C ATOM 1009 OG SER A 59 -8.697 3.781 -1.824 1.00 0.00 O ATOM 0 H SER A 59 -7.317 2.424 1.017 1.00 0.00 H new ATOM 0 HA SER A 59 -6.446 2.577 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.922 4.548 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.076 4.996 -1.565 1.00 0.00 H new ATOM 0 HG SER A 59 -9.301 4.544 -1.938 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.230 3.472 -1.096 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.855 3.758 -0.670 1.00 0.00 C ATOM 1017 C ILE A 60 -2.265 4.855 -1.564 1.00 0.00 C ATOM 1018 O ILE A 60 -2.304 4.753 -2.791 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.958 2.508 -0.727 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.522 1.404 0.171 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.534 2.855 -0.320 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.823 0.074 0.017 1.00 0.00 C ATOM 0 H ILE A 60 -4.308 3.223 -2.082 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.890 4.090 0.368 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.941 2.141 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.450 1.723 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.581 1.275 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.086 1.960 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.135 3.608 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.531 3.246 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.279 -0.656 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.917 -0.269 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.768 0.186 0.268 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.754 5.913 -0.935 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.162 7.056 -1.633 1.00 0.00 C ATOM 1036 C ARG A 61 0.307 7.151 -1.246 1.00 0.00 C ATOM 1037 O ARG A 61 0.646 7.074 -0.067 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.906 8.360 -1.381 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.398 9.549 -2.181 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.239 10.769 -2.063 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.238 11.375 -0.742 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.985 12.441 -0.390 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.761 13.043 -1.263 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.895 12.882 0.853 1.00 0.00 N ATOM 0 H ARG A 61 -1.739 6.003 0.081 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.248 6.890 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.961 8.210 -1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.841 8.600 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.386 9.787 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.335 9.265 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.892 11.506 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.264 10.516 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.630 10.966 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.805 12.705 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.319 13.848 -0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.273 12.418 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.447 13.686 1.150 1.00 0.00 H new ATOM 1058 N VAL A 62 1.176 7.324 -2.241 1.00 0.00 N ATOM 1059 CA VAL A 62 2.620 7.399 -2.014 1.00 0.00 C ATOM 1060 C VAL A 62 3.064 8.844 -2.258 1.00 0.00 C ATOM 1061 O VAL A 62 2.498 9.553 -3.105 1.00 0.00 O ATOM 1062 CB VAL A 62 3.408 6.446 -2.933 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.324 6.911 -4.380 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.860 6.357 -2.488 1.00 0.00 C ATOM 0 H VAL A 62 0.903 7.416 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 62 2.828 7.091 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 62 2.963 5.453 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.886 6.227 -5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.281 6.927 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.744 7.913 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.402 5.680 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.315 7.347 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.905 5.981 -1.466 1.00 0.00 H new ATOM 1074 N LYS A 63 4.043 9.290 -1.474 1.00 0.00 N ATOM 1075 CA LYS A 63 4.519 10.661 -1.520 1.00 0.00 C ATOM 1076 C LYS A 63 5.617 10.726 -2.578 1.00 0.00 C ATOM 1077 O LYS A 63 6.510 9.868 -2.613 1.00 0.00 O ATOM 1078 CB LYS A 63 5.037 11.120 -0.157 1.00 0.00 C ATOM 1079 CG LYS A 63 5.507 12.568 -0.118 1.00 0.00 C ATOM 1080 CD LYS A 63 5.970 12.963 1.277 1.00 0.00 C ATOM 1081 CE LYS A 63 6.475 14.398 1.308 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.922 14.801 2.669 1.00 0.00 N ATOM 0 H LYS A 63 4.526 8.707 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 63 3.701 11.334 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.247 10.987 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.863 10.474 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.323 12.707 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.696 13.224 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.146 12.850 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.762 12.290 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.303 14.506 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.684 15.068 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.258 15.785 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.126 14.722 3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.695 14.178 2.979 1.00 0.00 H new ATOM 1096 N HIS A 64 5.490 11.708 -3.477 1.00 0.00 N ATOM 1097 CA HIS A 64 6.432 11.922 -4.578 1.00 0.00 C ATOM 1098 C HIS A 64 7.394 13.061 -4.204 1.00 0.00 C ATOM 1099 O HIS A 64 6.964 14.068 -3.628 1.00 0.00 O ATOM 1100 CB HIS A 64 5.696 12.245 -5.882 1.00 0.00 C ATOM 1101 CG HIS A 64 4.598 11.280 -6.209 1.00 0.00 C ATOM 1102 ND1 HIS A 64 4.838 10.040 -6.764 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.256 11.373 -6.059 1.00 0.00 C ATOM 1104 CE1 HIS A 64 3.690 9.412 -6.941 1.00 0.00 C ATOM 1105 NE2 HIS A 64 2.715 10.199 -6.522 1.00 0.00 N ATOM 0 H HIS A 64 4.724 12.381 -3.460 1.00 0.00 H new ATOM 0 HA HIS A 64 6.998 11.005 -4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.277 13.249 -5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.415 12.255 -6.701 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.713 12.213 -5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.569 8.423 -7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.721 9.971 -6.540 1.00 0.00 H new ATOM 1113 N SER A 65 8.680 12.865 -4.533 1.00 0.00 N ATOM 1114 CA SER A 65 9.782 13.799 -4.212 1.00 0.00 C ATOM 1115 C SER A 65 9.482 15.268 -4.599 1.00 0.00 C ATOM 1116 O SER A 65 9.753 16.194 -3.818 1.00 0.00 O ATOM 1117 CB SER A 65 11.051 13.336 -4.900 1.00 0.00 C ATOM 1118 OG SER A 65 11.514 12.118 -4.386 1.00 0.00 O ATOM 0 H SER A 65 8.994 12.038 -5.040 1.00 0.00 H new ATOM 0 HA SER A 65 9.901 13.785 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.866 13.231 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.824 14.096 -4.783 1.00 0.00 H new ATOM 0 HG SER A 65 10.896 11.400 -4.639 1.00 0.00 H new ATOM 1124 N ASP A 66 8.881 15.446 -5.782 1.00 0.00 N ATOM 1125 CA ASP A 66 8.565 16.773 -6.364 1.00 0.00 C ATOM 1126 C ASP A 66 7.507 16.589 -7.472 1.00 0.00 C ATOM 1127 O ASP A 66 7.199 15.453 -7.832 1.00 0.00 O ATOM 1128 CB ASP A 66 9.820 17.448 -6.923 1.00 0.00 C ATOM 1129 CG ASP A 66 9.718 18.963 -7.044 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.673 19.494 -6.752 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.724 19.589 -7.273 1.00 0.00 O ATOM 0 H ASP A 66 8.594 14.668 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 66 8.172 17.422 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.666 17.203 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.035 17.031 -7.907 1.00 0.00 H new ATOM 1136 N ALA A 67 6.935 17.703 -7.984 1.00 0.00 N ATOM 1137 CA ALA A 67 5.871 17.666 -9.014 1.00 0.00 C ATOM 1138 C ALA A 67 6.345 17.016 -10.340 1.00 0.00 C ATOM 1139 O ALA A 67 5.652 16.151 -10.885 1.00 0.00 O ATOM 1140 CB ALA A 67 5.309 19.075 -9.258 1.00 0.00 C ATOM 0 H ALA A 67 7.196 18.647 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 67 5.073 17.032 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.529 19.029 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.890 19.465 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.109 19.732 -9.599 1.00 0.00 H new ATOM 1146 N ALA A 68 7.515 17.441 -10.862 1.00 0.00 N ATOM 1147 CA ALA A 68 8.087 16.867 -12.102 1.00 0.00 C ATOM 1148 C ALA A 68 8.459 15.394 -11.863 1.00 0.00 C ATOM 1149 O ALA A 68 8.339 14.553 -12.768 1.00 0.00 O ATOM 1150 CB ALA A 68 9.311 17.675 -12.563 1.00 0.00 C ATOM 0 H ALA A 68 8.083 18.179 -10.446 1.00 0.00 H new ATOM 0 HA ALA A 68 7.341 16.918 -12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.715 17.235 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.014 18.706 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.073 17.658 -11.784 1.00 0.00 H new ATOM 1156 N GLU A 69 8.900 15.099 -10.616 1.00 0.00 N ATOM 1157 CA GLU A 69 9.354 13.752 -10.207 1.00 0.00 C ATOM 1158 C GLU A 69 8.198 12.731 -10.230 1.00 0.00 C ATOM 1159 O GLU A 69 8.453 11.555 -10.392 1.00 0.00 O ATOM 1160 CB GLU A 69 9.979 13.800 -8.811 1.00 0.00 C ATOM 1161 CG GLU A 69 11.303 14.547 -8.740 1.00 0.00 C ATOM 1162 CD GLU A 69 12.339 13.906 -9.624 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.553 12.725 -9.494 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.834 14.571 -10.503 1.00 0.00 O ATOM 0 H GLU A 69 8.950 15.790 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 69 10.105 13.427 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.273 14.270 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.132 12.780 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.155 15.584 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.660 14.563 -7.710 1.00 0.00 H new ATOM 1171 N GLU A 70 6.948 13.216 -10.073 1.00 0.00 N ATOM 1172 CA GLU A 70 5.715 12.395 -9.906 1.00 0.00 C ATOM 1173 C GLU A 70 5.587 11.303 -10.996 1.00 0.00 C ATOM 1174 O GLU A 70 5.160 10.177 -10.719 1.00 0.00 O ATOM 1175 CB GLU A 70 4.474 13.290 -9.924 1.00 0.00 C ATOM 1176 CG GLU A 70 4.285 14.127 -8.666 1.00 0.00 C ATOM 1177 CD GLU A 70 3.084 15.023 -8.783 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.476 15.039 -9.826 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.706 15.608 -7.794 1.00 0.00 O ATOM 0 H GLU A 70 6.756 14.218 -10.058 1.00 0.00 H new ATOM 0 HA GLU A 70 5.793 11.894 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.534 13.957 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.592 12.665 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.169 13.471 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.176 14.730 -8.490 1.00 0.00 H new ATOM 1186 N LYS A 71 6.014 11.675 -12.214 1.00 0.00 N ATOM 1187 CA LYS A 71 5.970 10.820 -13.413 1.00 0.00 C ATOM 1188 C LYS A 71 6.869 9.578 -13.250 1.00 0.00 C ATOM 1189 O LYS A 71 6.429 8.449 -13.477 1.00 0.00 O ATOM 1190 CB LYS A 71 6.393 11.614 -14.650 1.00 0.00 C ATOM 1191 CG LYS A 71 5.399 12.685 -15.080 1.00 0.00 C ATOM 1192 CD LYS A 71 5.892 13.439 -16.306 1.00 0.00 C ATOM 1193 CE LYS A 71 4.923 14.541 -16.706 1.00 0.00 C ATOM 1194 NZ LYS A 71 5.401 15.298 -17.896 1.00 0.00 N ATOM 0 H LYS A 71 6.408 12.598 -12.397 1.00 0.00 H new ATOM 0 HA LYS A 71 4.942 10.480 -13.541 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.355 12.087 -14.452 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.543 10.921 -15.478 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.436 12.223 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.239 13.385 -14.260 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.871 13.871 -16.100 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.018 12.744 -17.136 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.947 14.106 -16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.789 15.227 -15.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.712 16.039 -18.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.320 15.735 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.505 14.649 -18.702 1.00 0.00 H new ATOM 1208 N LYS A 72 8.124 9.822 -12.836 1.00 0.00 N ATOM 1209 CA LYS A 72 9.109 8.767 -12.562 1.00 0.00 C ATOM 1210 C LYS A 72 8.786 8.030 -11.245 1.00 0.00 C ATOM 1211 O LYS A 72 8.921 6.814 -11.171 1.00 0.00 O ATOM 1212 CB LYS A 72 10.518 9.357 -12.506 1.00 0.00 C ATOM 1213 CG LYS A 72 11.056 9.833 -13.849 1.00 0.00 C ATOM 1214 CD LYS A 72 12.474 10.367 -13.720 1.00 0.00 C ATOM 1215 CE LYS A 72 13.001 10.867 -15.057 1.00 0.00 C ATOM 1216 NZ LYS A 72 14.380 11.417 -14.942 1.00 0.00 N ATOM 0 H LYS A 72 8.484 10.764 -12.682 1.00 0.00 H new ATOM 0 HA LYS A 72 9.060 8.043 -13.375 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.520 10.196 -11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.197 8.606 -12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.039 9.009 -14.562 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.407 10.613 -14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.494 11.178 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.127 9.582 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.996 10.049 -15.778 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.334 11.638 -15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.701 11.746 -15.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.381 12.214 -14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.022 10.675 -14.597 1.00 0.00 H new ATOM 1230 N GLU A 73 8.295 8.786 -10.250 1.00 0.00 N ATOM 1231 CA GLU A 73 8.001 8.275 -8.898 1.00 0.00 C ATOM 1232 C GLU A 73 6.838 7.287 -8.923 1.00 0.00 C ATOM 1233 O GLU A 73 6.946 6.188 -8.379 1.00 0.00 O ATOM 1234 CB GLU A 73 7.685 9.426 -7.941 1.00 0.00 C ATOM 1235 CG GLU A 73 8.897 10.243 -7.517 1.00 0.00 C ATOM 1236 CD GLU A 73 9.568 9.640 -6.314 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.199 8.621 -6.458 1.00 0.00 O ATOM 1238 OE2 GLU A 73 9.545 10.258 -5.276 1.00 0.00 O ATOM 0 H GLU A 73 8.088 9.779 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 73 8.890 7.753 -8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.963 10.090 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.206 9.020 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.607 10.299 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.589 11.264 -7.291 1.00 0.00 H new ATOM 1245 N ALA A 74 5.735 7.697 -9.567 1.00 0.00 N ATOM 1246 CA ALA A 74 4.504 6.899 -9.641 1.00 0.00 C ATOM 1247 C ALA A 74 4.743 5.607 -10.431 1.00 0.00 C ATOM 1248 O ALA A 74 4.323 4.529 -10.009 1.00 0.00 O ATOM 1249 CB ALA A 74 3.389 7.731 -10.278 1.00 0.00 C ATOM 0 H ALA A 74 5.672 8.592 -10.051 1.00 0.00 H new ATOM 0 HA ALA A 74 4.200 6.619 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.477 7.137 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.208 8.620 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.687 8.030 -11.283 1.00 0.00 H new ATOM 1255 N LYS A 75 5.443 5.755 -11.572 1.00 0.00 N ATOM 1256 CA LYS A 75 5.762 4.655 -12.499 1.00 0.00 C ATOM 1257 C LYS A 75 6.619 3.559 -11.811 1.00 0.00 C ATOM 1258 O LYS A 75 6.275 2.367 -11.848 1.00 0.00 O ATOM 1259 CB LYS A 75 6.487 5.196 -13.732 1.00 0.00 C ATOM 1260 CG LYS A 75 6.847 4.138 -14.766 1.00 0.00 C ATOM 1261 CD LYS A 75 7.513 4.757 -15.985 1.00 0.00 C ATOM 1262 CE LYS A 75 7.909 3.696 -17.001 1.00 0.00 C ATOM 1263 NZ LYS A 75 8.588 4.285 -18.186 1.00 0.00 N ATOM 0 H LYS A 75 5.808 6.657 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 75 4.822 4.197 -12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.859 5.950 -14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.400 5.698 -13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.516 3.403 -14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.947 3.606 -15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.833 5.471 -16.449 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.397 5.314 -15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.570 2.970 -16.528 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.020 3.154 -17.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.841 3.528 -18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.948 4.959 -18.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.450 4.780 -17.881 1.00 0.00 H new ATOM 1277 N LYS A 76 7.723 4.002 -11.170 1.00 0.00 N ATOM 1278 CA LYS A 76 8.687 3.129 -10.460 1.00 0.00 C ATOM 1279 C LYS A 76 7.988 2.406 -9.294 1.00 0.00 C ATOM 1280 O LYS A 76 8.051 1.176 -9.180 1.00 0.00 O ATOM 1281 CB LYS A 76 9.878 3.940 -9.945 1.00 0.00 C ATOM 1282 CG LYS A 76 10.934 3.114 -9.221 1.00 0.00 C ATOM 1283 CD LYS A 76 12.116 3.975 -8.800 1.00 0.00 C ATOM 1284 CE LYS A 76 13.147 3.162 -8.033 1.00 0.00 C ATOM 1285 NZ LYS A 76 14.291 3.999 -7.581 1.00 0.00 N ATOM 0 H LYS A 76 7.974 4.990 -11.130 1.00 0.00 H new ATOM 0 HA LYS A 76 9.061 2.385 -11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.347 4.450 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.511 4.712 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.492 2.644 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.280 2.311 -9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.580 4.415 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.765 4.800 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.673 2.698 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.516 2.355 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.971 3.407 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.760 4.422 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.943 4.754 -6.957 1.00 0.00 H new ATOM 1299 N PHE A 77 7.289 3.195 -8.461 1.00 0.00 N ATOM 1300 CA PHE A 77 6.663 2.711 -7.219 1.00 0.00 C ATOM 1301 C PHE A 77 5.464 1.786 -7.527 1.00 0.00 C ATOM 1302 O PHE A 77 5.197 0.854 -6.771 1.00 0.00 O ATOM 1303 CB PHE A 77 6.214 3.890 -6.353 1.00 0.00 C ATOM 1304 CG PHE A 77 6.168 3.580 -4.884 1.00 0.00 C ATOM 1305 CD1 PHE A 77 7.327 3.584 -4.123 1.00 0.00 C ATOM 1306 CD2 PHE A 77 4.966 3.282 -4.260 1.00 0.00 C ATOM 1307 CE1 PHE A 77 7.285 3.299 -2.771 1.00 0.00 C ATOM 1308 CE2 PHE A 77 4.921 2.997 -2.909 1.00 0.00 C ATOM 1309 CZ PHE A 77 6.083 3.005 -2.164 1.00 0.00 C ATOM 0 H PHE A 77 7.142 4.190 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 77 7.406 2.134 -6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.891 4.728 -6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.225 4.212 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.273 3.812 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.053 3.273 -4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.195 3.307 -2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.977 2.768 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.050 2.781 -1.108 1.00 0.00 H new ATOM 1319 N ALA A 78 4.777 2.051 -8.654 1.00 0.00 N ATOM 1320 CA ALA A 78 3.643 1.236 -9.130 1.00 0.00 C ATOM 1321 C ALA A 78 4.078 -0.219 -9.361 1.00 0.00 C ATOM 1322 O ALA A 78 3.372 -1.163 -8.969 1.00 0.00 O ATOM 1323 CB ALA A 78 3.073 1.839 -10.418 1.00 0.00 C ATOM 0 H ALA A 78 4.994 2.840 -9.263 1.00 0.00 H new ATOM 0 HA ALA A 78 2.866 1.237 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.236 1.233 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.729 2.855 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.848 1.859 -11.184 1.00 0.00 H new ATOM 1329 N ALA A 79 5.260 -0.372 -9.987 1.00 0.00 N ATOM 1330 CA ALA A 79 5.900 -1.676 -10.203 1.00 0.00 C ATOM 1331 C ALA A 79 6.275 -2.345 -8.859 1.00 0.00 C ATOM 1332 O ALA A 79 6.075 -3.551 -8.688 1.00 0.00 O ATOM 1333 CB ALA A 79 7.136 -1.501 -11.099 1.00 0.00 C ATOM 0 H ALA A 79 5.798 0.412 -10.358 1.00 0.00 H new ATOM 0 HA ALA A 79 5.192 -2.336 -10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.610 -2.470 -11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.833 -1.083 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.843 -0.826 -10.616 1.00 0.00 H new ATOM 1339 N ILE A 80 6.813 -1.533 -7.921 1.00 0.00 N ATOM 1340 CA ILE A 80 7.201 -1.979 -6.561 1.00 0.00 C ATOM 1341 C ILE A 80 5.983 -2.553 -5.806 1.00 0.00 C ATOM 1342 O ILE A 80 6.036 -3.671 -5.280 1.00 0.00 O ATOM 1343 CB ILE A 80 7.811 -0.831 -5.737 1.00 0.00 C ATOM 1344 CG1 ILE A 80 9.133 -0.372 -6.357 1.00 0.00 C ATOM 1345 CG2 ILE A 80 8.017 -1.263 -4.293 1.00 0.00 C ATOM 1346 CD1 ILE A 80 10.182 -1.458 -6.427 1.00 0.00 C ATOM 0 H ILE A 80 6.992 -0.543 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 80 7.955 -2.756 -6.685 1.00 0.00 H new ATOM 0 HB ILE A 80 7.117 0.009 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.942 0.001 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.526 0.463 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.449 -0.439 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.058 -1.541 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.692 -2.118 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.090 -1.058 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.403 -1.816 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.810 -2.285 -7.033 1.00 0.00 H new ATOM 1358 N LEU A 81 4.881 -1.782 -5.813 1.00 0.00 N ATOM 1359 CA LEU A 81 3.624 -2.139 -5.134 1.00 0.00 C ATOM 1360 C LEU A 81 2.979 -3.382 -5.774 1.00 0.00 C ATOM 1361 O LEU A 81 2.581 -4.307 -5.060 1.00 0.00 O ATOM 1362 CB LEU A 81 2.649 -0.956 -5.165 1.00 0.00 C ATOM 1363 CG LEU A 81 2.912 0.135 -4.120 1.00 0.00 C ATOM 1364 CD1 LEU A 81 2.054 1.359 -4.415 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.614 -0.410 -2.731 1.00 0.00 C ATOM 0 H LEU A 81 4.838 -0.884 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 81 3.857 -2.378 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.684 -0.503 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.637 -1.336 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 81 3.959 0.435 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.248 2.128 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.299 1.745 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.001 1.081 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.801 0.365 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.570 -0.719 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.257 -1.267 -2.531 1.00 0.00 H new ATOM 1377 N ASN A 82 2.950 -3.403 -7.125 1.00 0.00 N ATOM 1378 CA ASN A 82 2.325 -4.490 -7.923 1.00 0.00 C ATOM 1379 C ASN A 82 3.041 -5.836 -7.637 1.00 0.00 C ATOM 1380 O ASN A 82 2.392 -6.881 -7.502 1.00 0.00 O ATOM 1381 CB ASN A 82 2.344 -4.183 -9.410 1.00 0.00 C ATOM 1382 CG ASN A 82 1.355 -3.129 -9.823 1.00 0.00 C ATOM 1383 OD1 ASN A 82 0.406 -2.820 -9.093 1.00 0.00 O ATOM 1384 ND2 ASN A 82 1.525 -2.635 -11.022 1.00 0.00 N ATOM 0 H ASN A 82 3.360 -2.665 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 82 1.280 -4.567 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.346 -3.859 -9.692 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.138 -5.099 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.857 -1.961 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.326 -2.924 -11.584 1.00 0.00 H new ATOM 1391 N LYS A 83 4.385 -5.772 -7.504 1.00 0.00 N ATOM 1392 CA LYS A 83 5.217 -6.928 -7.112 1.00 0.00 C ATOM 1393 C LYS A 83 4.904 -7.379 -5.673 1.00 0.00 C ATOM 1394 O LYS A 83 4.709 -8.564 -5.439 1.00 0.00 O ATOM 1395 CB LYS A 83 6.702 -6.588 -7.245 1.00 0.00 C ATOM 1396 CG LYS A 83 7.204 -6.506 -8.681 1.00 0.00 C ATOM 1397 CD LYS A 83 8.684 -6.157 -8.731 1.00 0.00 C ATOM 1398 CE LYS A 83 9.174 -6.031 -10.166 1.00 0.00 C ATOM 1399 NZ LYS A 83 10.622 -5.693 -10.231 1.00 0.00 N ATOM 0 H LYS A 83 4.921 -4.919 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 83 4.980 -7.752 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.889 -5.634 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.283 -7.341 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.036 -7.459 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.633 -5.755 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.857 -5.220 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.259 -6.926 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.996 -6.968 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.598 -5.261 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.916 -5.616 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.789 -4.786 -9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.174 -6.440 -9.763 1.00 0.00 H new ATOM 1413 N VAL A 84 4.798 -6.410 -4.737 1.00 0.00 N ATOM 1414 CA VAL A 84 4.471 -6.690 -3.316 1.00 0.00 C ATOM 1415 C VAL A 84 3.089 -7.368 -3.179 1.00 0.00 C ATOM 1416 O VAL A 84 2.947 -8.354 -2.449 1.00 0.00 O ATOM 1417 CB VAL A 84 4.484 -5.404 -2.469 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.852 -5.657 -1.107 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.906 -4.888 -2.306 1.00 0.00 C ATOM 0 H VAL A 84 4.935 -5.420 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 84 5.241 -7.367 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 84 3.898 -4.645 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.869 -4.738 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.820 -5.983 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.413 -6.431 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.896 -3.979 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.513 -5.645 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.329 -4.670 -3.287 1.00 0.00 H new ATOM 1429 N PHE A 85 2.090 -6.826 -3.903 1.00 0.00 N ATOM 1430 CA PHE A 85 0.697 -7.322 -3.860 1.00 0.00 C ATOM 1431 C PHE A 85 0.608 -8.763 -4.409 1.00 0.00 C ATOM 1432 O PHE A 85 -0.059 -9.622 -3.817 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.228 -6.398 -4.655 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.465 -5.068 -3.998 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -0.850 -4.993 -2.668 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.302 -3.888 -4.709 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -1.070 -3.772 -2.064 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.520 -2.664 -4.106 1.00 0.00 C ATOM 1439 CZ PHE A 85 -0.904 -2.605 -2.783 1.00 0.00 C ATOM 0 H PHE A 85 2.223 -6.035 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 85 0.375 -7.329 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.200 -6.233 -5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.186 -6.897 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.979 -5.901 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.001 -3.926 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.372 -3.729 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.390 -1.753 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.074 -1.649 -2.311 1.00 0.00 H new ATOM 1449 N ALA A 86 1.346 -9.030 -5.508 1.00 0.00 N ATOM 1450 CA ALA A 86 1.440 -10.373 -6.119 1.00 0.00 C ATOM 1451 C ALA A 86 2.154 -11.370 -5.182 1.00 0.00 C ATOM 1452 O ALA A 86 1.783 -12.548 -5.112 1.00 0.00 O ATOM 1453 CB ALA A 86 2.160 -10.289 -7.469 1.00 0.00 C ATOM 0 H ALA A 86 1.893 -8.321 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 86 0.428 -10.743 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.224 -11.284 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.605 -9.631 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.165 -9.893 -7.322 1.00 0.00 H new ATOM 1459 N GLU A 87 3.152 -10.862 -4.427 1.00 0.00 N ATOM 1460 CA GLU A 87 3.933 -11.644 -3.445 1.00 0.00 C ATOM 1461 C GLU A 87 3.105 -11.919 -2.165 1.00 0.00 C ATOM 1462 O GLU A 87 3.456 -12.796 -1.368 1.00 0.00 O ATOM 1463 CB GLU A 87 5.229 -10.914 -3.087 1.00 0.00 C ATOM 1464 CG GLU A 87 6.292 -10.948 -4.176 1.00 0.00 C ATOM 1465 CD GLU A 87 7.471 -10.087 -3.817 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.479 -9.544 -2.739 1.00 0.00 O ATOM 1467 OE2 GLU A 87 8.415 -10.063 -4.572 1.00 0.00 O ATOM 0 H GLU A 87 3.441 -9.885 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 87 4.182 -12.601 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.995 -9.875 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.642 -11.355 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.623 -11.975 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.862 -10.605 -5.117 1.00 0.00 H new ATOM 1474 N LEU A 88 2.004 -11.162 -1.984 1.00 0.00 N ATOM 1475 CA LEU A 88 1.125 -11.252 -0.796 1.00 0.00 C ATOM 1476 C LEU A 88 -0.130 -12.083 -1.136 1.00 0.00 C ATOM 1477 O LEU A 88 -0.910 -12.444 -0.245 1.00 0.00 O ATOM 1478 CB LEU A 88 0.734 -9.852 -0.306 1.00 0.00 C ATOM 1479 CG LEU A 88 1.864 -9.051 0.354 1.00 0.00 C ATOM 1480 CD1 LEU A 88 1.388 -7.639 0.669 1.00 0.00 C ATOM 1481 CD2 LEU A 88 2.320 -9.761 1.618 1.00 0.00 C ATOM 0 H LEU A 88 1.696 -10.465 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 88 1.667 -11.749 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.353 -9.282 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.085 -9.950 0.407 1.00 0.00 H new ATOM 0 HG LEU A 88 2.708 -8.981 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.197 -7.078 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.088 -7.142 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.537 -7.685 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.123 -9.191 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.483 -9.844 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.682 -10.757 1.365 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.311 -12.362 -2.440 1.00 0.00 N ATOM 1494 CA GLY A 89 -1.365 -13.258 -2.923 1.00 0.00 C ATOM 1495 C GLY A 89 -2.506 -12.522 -3.613 1.00 0.00 C ATOM 1496 O GLY A 89 -3.510 -13.157 -3.977 1.00 0.00 O ATOM 0 H GLY A 89 0.270 -11.972 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.932 -13.977 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.763 -13.827 -2.083 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.369 -11.182 -3.783 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.403 -10.341 -4.436 1.00 0.00 C ATOM 1502 C TYR A 90 -3.387 -10.555 -5.955 1.00 0.00 C ATOM 1503 O TYR A 90 -2.315 -10.635 -6.564 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.187 -8.861 -4.113 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.481 -8.498 -2.674 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -4.787 -8.370 -2.225 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.451 -8.284 -1.770 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.061 -8.038 -0.913 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -2.713 -7.952 -0.454 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.020 -7.831 -0.030 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.288 -7.500 1.280 1.00 0.00 O ATOM 0 H TYR A 90 -1.549 -10.660 -3.475 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.376 -10.641 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.154 -8.597 -4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.821 -8.261 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.603 -8.533 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.427 -8.378 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.084 -7.941 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.900 -7.788 0.238 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.446 -7.390 1.769 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.577 -10.642 -6.548 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.746 -10.884 -7.991 1.00 0.00 C ATOM 1523 C ASN A 91 -4.720 -9.541 -8.745 1.00 0.00 C ATOM 1524 O ASN A 91 -4.897 -8.468 -8.140 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.026 -11.643 -8.291 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.089 -13.001 -7.649 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.345 -13.919 -8.015 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.028 -13.158 -6.750 1.00 0.00 N ATOM 0 H ASN A 91 -5.459 -10.547 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.919 -11.507 -8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.876 -11.051 -7.952 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.126 -11.756 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.172 -14.070 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.615 -12.368 -6.483 1.00 0.00 H new ATOM 1535 N ASP A 92 -4.487 -9.608 -10.064 1.00 0.00 N ATOM 1536 CA ASP A 92 -4.566 -8.430 -10.957 1.00 0.00 C ATOM 1537 C ASP A 92 -5.926 -7.709 -10.823 1.00 0.00 C ATOM 1538 O ASP A 92 -5.998 -6.484 -10.937 1.00 0.00 O ATOM 1539 CB ASP A 92 -4.334 -8.844 -12.412 1.00 0.00 C ATOM 1540 CG ASP A 92 -2.894 -9.215 -12.739 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -2.036 -8.956 -11.929 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -2.683 -9.890 -13.718 1.00 0.00 O ATOM 0 H ASP A 92 -4.239 -10.473 -10.545 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.783 -7.735 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.976 -9.694 -12.642 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.642 -8.026 -13.063 1.00 0.00 H new ATOM 1547 N SER A 93 -6.985 -8.502 -10.560 1.00 0.00 N ATOM 1548 CA SER A 93 -8.367 -8.012 -10.359 1.00 0.00 C ATOM 1549 C SER A 93 -8.591 -7.391 -8.963 1.00 0.00 C ATOM 1550 O SER A 93 -9.627 -6.751 -8.735 1.00 0.00 O ATOM 1551 CB SER A 93 -9.347 -9.148 -10.582 1.00 0.00 C ATOM 1552 OG SER A 93 -9.227 -10.146 -9.606 1.00 0.00 O ATOM 0 H SER A 93 -6.904 -9.516 -10.480 1.00 0.00 H new ATOM 0 HA SER A 93 -8.534 -7.218 -11.087 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.364 -8.756 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.179 -9.583 -11.567 1.00 0.00 H new ATOM 0 HG SER A 93 -9.876 -10.858 -9.785 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.641 -7.603 -8.027 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.757 -7.096 -6.637 1.00 0.00 C ATOM 1560 C ASN A 94 -7.186 -5.670 -6.541 1.00 0.00 C ATOM 1561 O ASN A 94 -7.655 -4.854 -5.746 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.065 -8.009 -5.643 1.00 0.00 C ATOM 1563 CG ASN A 94 -7.791 -9.304 -5.402 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -7.452 -10.345 -5.978 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.836 -9.228 -4.620 1.00 0.00 N ATOM 0 H ASN A 94 -6.782 -8.123 -8.207 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.816 -7.076 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.060 -8.228 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -6.956 -7.482 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.415 -10.052 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.072 -8.344 -4.169 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.212 -5.376 -7.419 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.415 -4.137 -7.393 1.00 0.00 C ATOM 1574 C VAL A 95 -5.827 -3.222 -8.574 1.00 0.00 C ATOM 1575 O VAL A 95 -5.731 -3.619 -9.736 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.904 -4.426 -7.469 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.110 -3.130 -7.431 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.479 -5.342 -6.331 1.00 0.00 C ATOM 0 H VAL A 95 -5.952 -6.003 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.614 -3.636 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.698 -4.929 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.045 -3.354 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.393 -2.505 -8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.322 -2.600 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.409 -5.536 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.700 -4.864 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.023 -6.284 -6.399 1.00 0.00 H new ATOM 1588 N THR A 96 -6.339 -2.023 -8.258 1.00 0.00 N ATOM 1589 CA THR A 96 -6.804 -1.036 -9.265 1.00 0.00 C ATOM 1590 C THR A 96 -5.949 0.241 -9.151 1.00 0.00 C ATOM 1591 O THR A 96 -5.680 0.681 -8.044 1.00 0.00 O ATOM 1592 CB THR A 96 -8.290 -0.677 -9.084 1.00 0.00 C ATOM 1593 OG1 THR A 96 -9.091 -1.859 -9.223 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.722 0.347 -10.122 1.00 0.00 C ATOM 0 H THR A 96 -6.446 -1.702 -7.296 1.00 0.00 H new ATOM 0 HA THR A 96 -6.694 -1.486 -10.251 1.00 0.00 H new ATOM 0 HB THR A 96 -8.426 -0.252 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.036 -1.629 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.775 0.589 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.124 1.252 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.577 -0.064 -11.121 1.00 0.00 H new ATOM 1602 N TRP A 97 -5.505 0.813 -10.283 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.800 2.118 -10.301 1.00 0.00 C ATOM 1604 C TRP A 97 -5.704 3.190 -10.928 1.00 0.00 C ATOM 1605 O TRP A 97 -6.281 2.979 -12.004 1.00 0.00 O ATOM 1606 CB TRP A 97 -3.429 2.019 -11.038 1.00 0.00 C ATOM 1607 CG TRP A 97 -2.360 1.310 -10.229 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -2.107 -0.039 -10.166 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -1.410 1.936 -9.347 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -1.056 -0.277 -9.310 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.612 0.918 -8.803 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -1.157 3.260 -8.975 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.421 1.187 -7.906 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 -0.131 3.523 -8.086 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.649 2.491 -7.560 1.00 0.00 C ATOM 0 H TRP A 97 -5.620 0.394 -11.206 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.581 2.408 -9.273 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.569 1.492 -11.982 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -3.083 3.023 -11.282 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -2.651 -0.799 -10.707 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.669 -1.194 -9.088 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.754 4.065 -9.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.023 0.390 -7.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.070 4.543 -7.794 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.445 2.726 -6.869 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.829 4.325 -10.214 1.00 0.00 N ATOM 1627 CA ASP A 98 -6.642 5.482 -10.623 1.00 0.00 C ATOM 1628 C ASP A 98 -6.052 6.784 -10.034 1.00 0.00 C ATOM 1629 O ASP A 98 -6.158 7.023 -8.826 1.00 0.00 O ATOM 1630 CB ASP A 98 -8.097 5.307 -10.179 1.00 0.00 C ATOM 1631 CG ASP A 98 -9.033 6.417 -10.637 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -8.554 7.385 -11.179 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -10.223 6.222 -10.584 1.00 0.00 O ATOM 0 H ASP A 98 -5.358 4.464 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.623 5.549 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.468 4.355 -10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.127 5.249 -9.091 1.00 0.00 H new ATOM 1638 N GLY A 99 -5.412 7.607 -10.897 1.00 0.00 N ATOM 1639 CA GLY A 99 -4.902 8.938 -10.512 1.00 0.00 C ATOM 1640 C GLY A 99 -3.647 8.869 -9.644 1.00 0.00 C ATOM 1641 O GLY A 99 -3.622 9.426 -8.548 1.00 0.00 O ATOM 0 H GLY A 99 -5.237 7.367 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.683 9.511 -11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.681 9.477 -9.973 1.00 0.00 H new ATOM 1645 N ASP A 100 -2.644 8.097 -10.138 1.00 0.00 N ATOM 1646 CA ASP A 100 -1.350 7.762 -9.452 1.00 0.00 C ATOM 1647 C ASP A 100 -1.546 7.160 -8.030 1.00 0.00 C ATOM 1648 O ASP A 100 -0.604 7.108 -7.226 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.466 9.008 -9.357 1.00 0.00 C ATOM 1650 CG ASP A 100 -0.105 9.626 -10.701 1.00 0.00 C ATOM 1651 OD1 ASP A 100 0.365 8.912 -11.555 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.445 10.766 -10.919 1.00 0.00 O ATOM 0 H ASP A 100 -2.709 7.670 -11.062 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.868 6.998 -10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.978 9.757 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.453 8.748 -8.832 1.00 0.00 H new ATOM 1657 N THR A 101 -2.742 6.611 -7.782 1.00 0.00 N ATOM 1658 CA THR A 101 -3.167 6.093 -6.476 1.00 0.00 C ATOM 1659 C THR A 101 -3.708 4.671 -6.648 1.00 0.00 C ATOM 1660 O THR A 101 -4.420 4.400 -7.615 1.00 0.00 O ATOM 1661 CB THR A 101 -4.247 6.978 -5.825 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.784 8.334 -5.764 1.00 0.00 O ATOM 1663 CG2 THR A 101 -4.561 6.491 -4.419 1.00 0.00 C ATOM 0 H THR A 101 -3.458 6.513 -8.502 1.00 0.00 H new ATOM 0 HA THR A 101 -2.298 6.095 -5.818 1.00 0.00 H new ATOM 0 HB THR A 101 -5.153 6.922 -6.429 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.726 8.701 -6.671 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.326 7.128 -3.975 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.925 5.464 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.658 6.531 -3.810 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.359 3.761 -5.733 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.692 2.342 -5.868 1.00 0.00 C ATOM 1673 C VAL A 102 -4.796 2.011 -4.836 1.00 0.00 C ATOM 1674 O VAL A 102 -4.680 2.332 -3.645 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.468 1.434 -5.646 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.905 1.630 -4.246 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -2.839 -0.025 -5.869 1.00 0.00 C ATOM 0 H VAL A 102 -2.841 3.987 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.039 2.155 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.700 1.710 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.041 0.980 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.602 2.669 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.668 1.381 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.962 -0.652 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.624 -0.312 -5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.197 -0.157 -6.890 1.00 0.00 H new ATOM 1687 N THR A 103 -5.907 1.441 -5.329 1.00 0.00 N ATOM 1688 CA THR A 103 -6.999 0.951 -4.498 1.00 0.00 C ATOM 1689 C THR A 103 -7.062 -0.576 -4.625 1.00 0.00 C ATOM 1690 O THR A 103 -7.165 -1.119 -5.731 1.00 0.00 O ATOM 1691 CB THR A 103 -8.353 1.566 -4.898 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.314 2.984 -4.696 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.477 0.970 -4.064 1.00 0.00 C ATOM 0 H THR A 103 -6.066 1.310 -6.328 1.00 0.00 H new ATOM 0 HA THR A 103 -6.806 1.245 -3.466 1.00 0.00 H new ATOM 0 HB THR A 103 -8.539 1.346 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.445 3.183 -3.745 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.426 1.416 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.517 -0.107 -4.224 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.294 1.173 -3.009 1.00 0.00 H new ATOM 1701 N VAL A 104 -6.933 -1.266 -3.490 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.925 -2.726 -3.452 1.00 0.00 C ATOM 1703 C VAL A 104 -8.158 -3.172 -2.662 1.00 0.00 C ATOM 1704 O VAL A 104 -8.387 -2.710 -1.542 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.648 -3.291 -2.801 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.690 -4.812 -2.780 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.412 -2.804 -3.543 1.00 0.00 C ATOM 0 H VAL A 104 -6.831 -0.828 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.945 -3.108 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.597 -2.932 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.781 -5.195 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.556 -5.144 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.764 -5.188 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.519 -3.213 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.457 -3.135 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.374 -1.715 -3.511 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.949 -4.064 -3.261 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.225 -4.517 -2.694 1.00 0.00 C ATOM 1719 C GLU A 105 -10.154 -6.026 -2.547 1.00 0.00 C ATOM 1720 O GLU A 105 -9.505 -6.706 -3.355 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.410 -4.112 -3.574 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.598 -2.608 -3.722 1.00 0.00 C ATOM 1723 CD GLU A 105 -12.724 -2.289 -4.666 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.300 -3.204 -5.203 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.081 -1.139 -4.765 1.00 0.00 O ATOM 0 H GLU A 105 -8.723 -4.496 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.384 -4.045 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.278 -4.549 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.321 -4.540 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.802 -2.167 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.675 -2.158 -4.088 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.797 -6.536 -1.502 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.901 -7.965 -1.258 1.00 0.00 C ATOM 1734 C GLY A 106 -11.877 -8.263 -0.148 1.00 0.00 C ATOM 1735 O GLY A 106 -12.495 -7.341 0.408 1.00 0.00 O ATOM 0 H GLY A 106 -11.263 -5.964 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.220 -8.469 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.920 -8.364 -0.999 1.00 0.00 H new ATOM 1739 N GLN A 107 -12.027 -9.547 0.166 1.00 0.00 N ATOM 1740 CA GLN A 107 -12.898 -10.007 1.245 1.00 0.00 C ATOM 1741 C GLN A 107 -12.073 -10.727 2.316 1.00 0.00 C ATOM 1742 O GLN A 107 -11.217 -11.573 2.004 1.00 0.00 O ATOM 1743 CB GLN A 107 -13.986 -10.939 0.703 1.00 0.00 C ATOM 1744 CG GLN A 107 -15.031 -10.246 -0.154 1.00 0.00 C ATOM 1745 CD GLN A 107 -16.069 -11.211 -0.695 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -16.021 -12.413 -0.419 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -17.012 -10.690 -1.470 1.00 0.00 N ATOM 0 H GLN A 107 -11.546 -10.302 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.381 -9.138 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.514 -11.726 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.484 -11.424 1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.528 -9.476 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.539 -9.742 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.012 -9.690 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.737 -11.290 -1.864 1.00 0.00 H new