USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 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 16 TYR OH : rot -173:sc= 0.367 USER MOD Set 1.2: A 65 ASN :FLIP amide:sc= -1.17! C(o=-2.5!,f=-0.81!) USER MOD Single : A 2 ASN : amide:sc= -6.81! C(o=-6.8!,f=-11!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -131:sc= -2.18 (180deg=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 18 GLN :FLIP amide:sc= -12.2! C(o=-14!,f=-12!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.024 USER MOD Single : A 29 ASN : amide:sc= -7.87! C(o=-7.9!,f=-15!) USER MOD Single : A 35 HIS :FLIP no HE2:sc= -5.22! C(o=-5.9!,f=-5.2!) USER MOD Single : A 36 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.3!) USER MOD Single : A 37 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.63) USER MOD Single : A 39 GLN : amide:sc= -0.0567 K(o=-0.057,f=-2.5!) USER MOD Single : A 45 GLN :FLIP amide:sc= -3.64! C(o=-7.2!,f=-3.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 49 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 0.196 (180deg=0.0867) USER MOD Single : A 59 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.27) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.442 K(o=-0.44,f=-3.5!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.761 F(o=-3.3!,f=-0.76) USER MOD Single : A 68 SER OG : rot -42:sc= 0.25 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -0.145 (180deg=-1.11) USER MOD Single : A 74 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.2!) USER MOD Single : A 76 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.11) USER MOD Single : A 79 TYR OH : rot 180:sc= -2.55! USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 82 SER OG : rot 180:sc= -2.5! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 5.935 10.807 5.685 1.00 0.00 N ATOM 23 CA ASN A 2 4.621 10.175 5.396 1.00 0.00 C ATOM 24 C ASN A 2 4.636 8.711 5.823 1.00 0.00 C ATOM 25 O ASN A 2 3.607 8.100 5.995 1.00 0.00 O ATOM 26 CB ASN A 2 4.300 10.260 3.897 1.00 0.00 C ATOM 27 CG ASN A 2 5.400 11.021 3.147 1.00 0.00 C ATOM 28 OD1 ASN A 2 6.064 10.469 2.292 1.00 0.00 O ATOM 29 ND2 ASN A 2 5.618 12.275 3.431 1.00 0.00 N ATOM 0 HA ASN A 2 3.855 10.711 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.200 9.256 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.342 10.761 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.345 12.791 2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.061 12.740 4.148 1.00 0.00 H new ATOM 36 N CYS A 3 5.786 8.144 5.993 1.00 0.00 N ATOM 37 CA CYS A 3 5.845 6.717 6.407 1.00 0.00 C ATOM 38 C CYS A 3 5.011 6.540 7.670 1.00 0.00 C ATOM 39 O CYS A 3 4.423 5.508 7.892 1.00 0.00 O ATOM 40 CB CYS A 3 7.296 6.322 6.694 1.00 0.00 C ATOM 41 SG CYS A 3 7.599 4.624 6.137 1.00 0.00 S ATOM 0 H CYS A 3 6.689 8.601 5.865 1.00 0.00 H new ATOM 0 HA CYS A 3 5.455 6.084 5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.975 7.007 6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 3 7.500 6.405 7.762 1.00 0.00 H new ATOM 46 N GLY A 4 4.953 7.546 8.498 1.00 0.00 N ATOM 47 CA GLY A 4 4.154 7.436 9.751 1.00 0.00 C ATOM 48 C GLY A 4 2.668 7.323 9.408 1.00 0.00 C ATOM 49 O GLY A 4 1.991 6.400 9.830 1.00 0.00 O ATOM 0 H GLY A 4 5.425 8.440 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.473 6.563 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.326 8.309 10.381 1.00 0.00 H new ATOM 53 N GLN A 5 2.150 8.242 8.639 1.00 0.00 N ATOM 54 CA GLN A 5 0.704 8.159 8.277 1.00 0.00 C ATOM 55 C GLN A 5 0.482 6.872 7.489 1.00 0.00 C ATOM 56 O GLN A 5 -0.240 5.980 7.904 1.00 0.00 O ATOM 57 CB GLN A 5 0.313 9.361 7.416 1.00 0.00 C ATOM 58 CG GLN A 5 -1.087 9.834 7.811 1.00 0.00 C ATOM 59 CD GLN A 5 -1.219 11.332 7.533 1.00 0.00 C ATOM 60 OE1 GLN A 5 -0.744 11.819 6.526 1.00 0.00 O ATOM 61 NE2 GLN A 5 -1.849 12.089 8.389 1.00 0.00 N ATOM 0 H GLN A 5 2.657 9.037 8.250 1.00 0.00 H new ATOM 0 HA GLN A 5 0.092 8.161 9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.033 10.168 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.333 9.088 6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.840 9.282 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.266 9.633 8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.248 11.680 9.234 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.943 13.089 8.213 1.00 0.00 H new ATOM 70 N VAL A 6 1.115 6.777 6.357 1.00 0.00 N ATOM 71 CA VAL A 6 0.990 5.565 5.513 1.00 0.00 C ATOM 72 C VAL A 6 0.967 4.320 6.397 1.00 0.00 C ATOM 73 O VAL A 6 0.177 3.431 6.195 1.00 0.00 O ATOM 74 CB VAL A 6 2.194 5.492 4.577 1.00 0.00 C ATOM 75 CG1 VAL A 6 2.096 4.234 3.720 1.00 0.00 C ATOM 76 CG2 VAL A 6 2.215 6.726 3.675 1.00 0.00 C ATOM 0 H VAL A 6 1.724 7.501 5.976 1.00 0.00 H new ATOM 0 HA VAL A 6 0.066 5.614 4.937 1.00 0.00 H new ATOM 0 HB VAL A 6 3.111 5.459 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.955 4.181 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.083 3.355 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.179 4.266 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.075 6.674 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.299 6.761 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.287 7.624 4.289 1.00 0.00 H new ATOM 86 N ASP A 7 1.832 4.242 7.371 1.00 0.00 N ATOM 87 CA ASP A 7 1.848 3.045 8.247 1.00 0.00 C ATOM 88 C ASP A 7 0.521 2.934 8.999 1.00 0.00 C ATOM 89 O ASP A 7 -0.107 1.899 9.007 1.00 0.00 O ATOM 90 CB ASP A 7 3.031 3.155 9.226 1.00 0.00 C ATOM 91 CG ASP A 7 2.564 3.599 10.620 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.810 2.862 11.233 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.972 4.666 11.048 1.00 0.00 O ATOM 0 H ASP A 7 2.526 4.956 7.595 1.00 0.00 H new ATOM 0 HA ASP A 7 1.971 2.144 7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.536 2.192 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.760 3.868 8.840 1.00 0.00 H new ATOM 98 N SER A 8 0.102 3.987 9.644 1.00 0.00 N ATOM 99 CA SER A 8 -1.177 3.929 10.413 1.00 0.00 C ATOM 100 C SER A 8 -2.342 3.495 9.511 1.00 0.00 C ATOM 101 O SER A 8 -3.288 2.885 9.968 1.00 0.00 O ATOM 102 CB SER A 8 -1.481 5.310 10.993 1.00 0.00 C ATOM 103 OG SER A 8 -0.865 5.429 12.267 1.00 0.00 O ATOM 0 H SER A 8 0.587 4.884 9.673 1.00 0.00 H new ATOM 0 HA SER A 8 -1.065 3.198 11.214 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.112 6.087 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.558 5.451 11.082 1.00 0.00 H new ATOM 0 HG SER A 8 -1.056 6.314 12.641 1.00 0.00 H new ATOM 109 N LYS A 9 -2.304 3.822 8.248 1.00 0.00 N ATOM 110 CA LYS A 9 -3.437 3.442 7.351 1.00 0.00 C ATOM 111 C LYS A 9 -3.132 2.154 6.576 1.00 0.00 C ATOM 112 O LYS A 9 -4.019 1.548 6.008 1.00 0.00 O ATOM 113 CB LYS A 9 -3.700 4.576 6.358 1.00 0.00 C ATOM 114 CG LYS A 9 -3.906 5.884 7.123 1.00 0.00 C ATOM 115 CD LYS A 9 -5.328 5.927 7.688 1.00 0.00 C ATOM 116 CE LYS A 9 -6.290 6.424 6.609 1.00 0.00 C ATOM 117 NZ LYS A 9 -6.840 7.752 7.007 1.00 0.00 N ATOM 0 H LYS A 9 -1.544 4.332 7.799 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.316 3.268 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.861 4.673 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.581 4.351 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.180 5.963 7.932 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.740 6.734 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.626 4.935 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.366 6.585 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.772 6.505 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.101 5.709 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.495 8.091 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.349 7.661 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.061 8.432 7.116 1.00 0.00 H new ATOM 131 N MET A 10 -1.901 1.720 6.538 1.00 0.00 N ATOM 132 CA MET A 10 -1.590 0.466 5.787 1.00 0.00 C ATOM 133 C MET A 10 -1.495 -0.704 6.755 1.00 0.00 C ATOM 134 O MET A 10 -1.509 -1.856 6.370 1.00 0.00 O ATOM 135 CB MET A 10 -0.285 0.636 5.005 1.00 0.00 C ATOM 136 CG MET A 10 -0.362 1.938 4.211 1.00 0.00 C ATOM 137 SD MET A 10 -0.953 1.594 2.534 1.00 0.00 S ATOM 138 CE MET A 10 -2.151 2.947 2.437 1.00 0.00 C ATOM 0 H MET A 10 -1.105 2.172 6.988 1.00 0.00 H new ATOM 0 HA MET A 10 -2.390 0.261 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.565 0.658 5.687 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.133 -0.209 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 10 -1.033 2.639 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.620 2.410 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.107 2.562 2.082 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.282 3.388 3.425 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.787 3.707 1.746 1.00 0.00 H new ATOM 148 N LYS A 11 -1.433 -0.409 8.013 1.00 0.00 N ATOM 149 CA LYS A 11 -1.375 -1.468 9.031 1.00 0.00 C ATOM 150 C LYS A 11 -2.779 -2.084 9.262 1.00 0.00 C ATOM 151 O LYS A 11 -2.865 -3.227 9.666 1.00 0.00 O ATOM 152 CB LYS A 11 -0.826 -0.882 10.332 1.00 0.00 C ATOM 153 CG LYS A 11 -1.689 0.302 10.762 1.00 0.00 C ATOM 154 CD LYS A 11 -1.122 0.913 12.044 1.00 0.00 C ATOM 155 CE LYS A 11 -1.066 -0.156 13.136 1.00 0.00 C ATOM 156 NZ LYS A 11 -0.495 0.434 14.380 1.00 0.00 N ATOM 0 H LYS A 11 -1.420 0.542 8.382 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.715 -2.264 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.820 -1.643 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.206 -0.561 10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.716 1.052 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.716 -0.025 10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.125 1.312 11.859 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.744 1.747 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.065 -0.545 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.456 -0.997 12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.457 -0.293 15.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.465 0.785 14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.095 1.222 14.697 1.00 0.00 H new ATOM 170 N PRO A 12 -3.852 -1.339 8.991 1.00 0.00 N ATOM 171 CA PRO A 12 -5.219 -1.859 9.161 1.00 0.00 C ATOM 172 C PRO A 12 -5.593 -2.652 7.908 1.00 0.00 C ATOM 173 O PRO A 12 -6.442 -3.522 7.928 1.00 0.00 O ATOM 174 CB PRO A 12 -6.080 -0.596 9.280 1.00 0.00 C ATOM 175 CG PRO A 12 -5.279 0.542 8.602 1.00 0.00 C ATOM 176 CD PRO A 12 -3.826 0.057 8.499 1.00 0.00 C ATOM 0 HA PRO A 12 -5.342 -2.519 10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.045 -0.736 8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.282 -0.360 10.325 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.684 0.765 7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.340 1.460 9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.465 0.107 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.160 0.675 9.101 1.00 0.00 H new ATOM 184 N CYS A 13 -4.939 -2.351 6.817 1.00 0.00 N ATOM 185 CA CYS A 13 -5.207 -3.066 5.538 1.00 0.00 C ATOM 186 C CYS A 13 -4.674 -4.496 5.639 1.00 0.00 C ATOM 187 O CYS A 13 -4.856 -5.308 4.751 1.00 0.00 O ATOM 188 CB CYS A 13 -4.471 -2.340 4.411 1.00 0.00 C ATOM 189 SG CYS A 13 -5.502 -0.998 3.783 1.00 0.00 S ATOM 0 H CYS A 13 -4.221 -1.629 6.759 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.278 -3.087 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.524 -1.944 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.235 -3.038 3.608 1.00 0.00 H new ATOM 194 N LEU A 14 -4.002 -4.799 6.713 1.00 0.00 N ATOM 195 CA LEU A 14 -3.432 -6.152 6.894 1.00 0.00 C ATOM 196 C LEU A 14 -4.560 -7.176 7.041 1.00 0.00 C ATOM 197 O LEU A 14 -4.522 -8.235 6.451 1.00 0.00 O ATOM 198 CB LEU A 14 -2.557 -6.124 8.143 1.00 0.00 C ATOM 199 CG LEU A 14 -1.560 -4.966 8.017 1.00 0.00 C ATOM 200 CD1 LEU A 14 -0.692 -4.879 9.273 1.00 0.00 C ATOM 201 CD2 LEU A 14 -0.669 -5.192 6.794 1.00 0.00 C ATOM 0 H LEU A 14 -3.824 -4.153 7.482 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.834 -6.440 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.173 -5.998 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.026 -7.070 8.254 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.111 -4.033 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.012 -4.053 9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.327 -4.710 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.142 -5.811 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.040 -4.369 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.125 -6.129 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.287 -5.239 5.897 1.00 0.00 H new ATOM 213 N THR A 15 -5.565 -6.879 7.819 1.00 0.00 N ATOM 214 CA THR A 15 -6.678 -7.845 7.982 1.00 0.00 C ATOM 215 C THR A 15 -7.273 -8.183 6.615 1.00 0.00 C ATOM 216 O THR A 15 -7.861 -9.226 6.424 1.00 0.00 O ATOM 217 CB THR A 15 -7.771 -7.241 8.863 1.00 0.00 C ATOM 218 OG1 THR A 15 -7.368 -5.958 9.324 1.00 0.00 O ATOM 219 CG2 THR A 15 -8.006 -8.163 10.051 1.00 0.00 C ATOM 0 H THR A 15 -5.660 -6.011 8.346 1.00 0.00 H new ATOM 0 HA THR A 15 -6.290 -8.750 8.451 1.00 0.00 H new ATOM 0 HB THR A 15 -8.691 -7.134 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.074 -5.576 9.887 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.784 -7.744 10.689 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.319 -9.144 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.083 -8.262 10.623 1.00 0.00 H new ATOM 227 N TYR A 16 -7.138 -7.309 5.663 1.00 0.00 N ATOM 228 CA TYR A 16 -7.709 -7.591 4.319 1.00 0.00 C ATOM 229 C TYR A 16 -6.672 -8.334 3.469 1.00 0.00 C ATOM 230 O TYR A 16 -6.838 -9.495 3.140 1.00 0.00 O ATOM 231 CB TYR A 16 -8.098 -6.261 3.648 1.00 0.00 C ATOM 232 CG TYR A 16 -8.029 -6.389 2.141 1.00 0.00 C ATOM 233 CD1 TYR A 16 -9.012 -7.109 1.451 1.00 0.00 C ATOM 234 CD2 TYR A 16 -6.975 -5.794 1.438 1.00 0.00 C ATOM 235 CE1 TYR A 16 -8.940 -7.234 0.059 1.00 0.00 C ATOM 236 CE2 TYR A 16 -6.903 -5.917 0.046 1.00 0.00 C ATOM 237 CZ TYR A 16 -7.886 -6.637 -0.644 1.00 0.00 C ATOM 238 OH TYR A 16 -7.816 -6.760 -2.017 1.00 0.00 O ATOM 0 H TYR A 16 -6.659 -6.413 5.755 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.597 -8.216 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.106 -5.976 3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.429 -5.468 3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.826 -7.568 1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.217 -5.239 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.697 -7.791 -0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.090 -5.457 -0.496 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.969 -6.384 -2.336 1.00 0.00 H new ATOM 248 N VAL A 17 -5.617 -7.662 3.099 1.00 0.00 N ATOM 249 CA VAL A 17 -4.572 -8.302 2.250 1.00 0.00 C ATOM 250 C VAL A 17 -4.154 -9.659 2.826 1.00 0.00 C ATOM 251 O VAL A 17 -3.669 -10.512 2.113 1.00 0.00 O ATOM 252 CB VAL A 17 -3.353 -7.378 2.167 1.00 0.00 C ATOM 253 CG1 VAL A 17 -3.812 -5.967 1.799 1.00 0.00 C ATOM 254 CG2 VAL A 17 -2.636 -7.339 3.519 1.00 0.00 C ATOM 0 H VAL A 17 -5.433 -6.691 3.350 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.983 -8.466 1.254 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.668 -7.755 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.947 -5.307 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.319 -5.989 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.498 -5.597 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.770 -6.680 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.319 -6.966 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.308 -8.344 3.786 1.00 0.00 H new ATOM 264 N GLN A 18 -4.328 -9.872 4.101 1.00 0.00 N ATOM 265 CA GLN A 18 -3.918 -11.180 4.690 1.00 0.00 C ATOM 266 C GLN A 18 -5.135 -11.903 5.280 1.00 0.00 C ATOM 267 O GLN A 18 -5.308 -13.091 5.096 1.00 0.00 O ATOM 268 CB GLN A 18 -2.845 -10.938 5.774 1.00 0.00 C ATOM 269 CG GLN A 18 -3.461 -10.957 7.183 1.00 0.00 C ATOM 270 CD GLN A 18 -2.440 -10.466 8.211 1.00 0.00 C ATOM 271 OE1 GLN A 18 -2.450 -9.214 8.578 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 -1.630 -11.233 8.694 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.733 -9.204 4.757 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.497 -11.814 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.073 -11.704 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.359 -9.978 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.348 -10.324 7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.783 -11.968 7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.621 -12.212 8.408 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.959 -10.898 9.385 1.00 0.00 H new ATOM 281 N GLY A 19 -5.972 -11.203 5.994 1.00 0.00 N ATOM 282 CA GLY A 19 -7.159 -11.868 6.597 1.00 0.00 C ATOM 283 C GLY A 19 -8.000 -12.514 5.498 1.00 0.00 C ATOM 284 O GLY A 19 -8.464 -13.628 5.637 1.00 0.00 O ATOM 0 H GLY A 19 -5.886 -10.205 6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.839 -12.623 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.757 -11.140 7.145 1.00 0.00 H new ATOM 288 N GLY A 20 -8.206 -11.830 4.404 1.00 0.00 N ATOM 289 CA GLY A 20 -9.022 -12.428 3.313 1.00 0.00 C ATOM 290 C GLY A 20 -10.256 -11.563 3.015 1.00 0.00 C ATOM 291 O GLY A 20 -10.564 -11.322 1.866 1.00 0.00 O ATOM 0 H GLY A 20 -7.848 -10.893 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.416 -12.527 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.337 -13.432 3.597 1.00 0.00 H new ATOM 295 N PRO A 21 -10.942 -11.131 4.050 1.00 0.00 N ATOM 296 CA PRO A 21 -12.157 -10.311 3.895 1.00 0.00 C ATOM 297 C PRO A 21 -11.791 -8.854 3.599 1.00 0.00 C ATOM 298 O PRO A 21 -10.938 -8.275 4.240 1.00 0.00 O ATOM 299 CB PRO A 21 -12.852 -10.436 5.252 1.00 0.00 C ATOM 300 CG PRO A 21 -11.757 -10.829 6.271 1.00 0.00 C ATOM 301 CD PRO A 21 -10.582 -11.409 5.459 1.00 0.00 C ATOM 0 HA PRO A 21 -12.788 -10.636 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.325 -9.495 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.638 -11.190 5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.437 -9.962 6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.136 -11.563 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.638 -10.935 5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.464 -12.478 5.637 1.00 0.00 H new ATOM 309 N GLY A 22 -12.433 -8.259 2.631 1.00 0.00 N ATOM 310 CA GLY A 22 -12.123 -6.842 2.293 1.00 0.00 C ATOM 311 C GLY A 22 -11.993 -6.694 0.775 1.00 0.00 C ATOM 312 O GLY A 22 -12.361 -7.584 0.033 1.00 0.00 O ATOM 0 H GLY A 22 -13.158 -8.693 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.911 -6.188 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.197 -6.536 2.779 1.00 0.00 H new ATOM 316 N PRO A 23 -11.470 -5.569 0.359 1.00 0.00 N ATOM 317 CA PRO A 23 -11.028 -4.498 1.273 1.00 0.00 C ATOM 318 C PRO A 23 -12.233 -3.713 1.801 1.00 0.00 C ATOM 319 O PRO A 23 -13.357 -3.936 1.398 1.00 0.00 O ATOM 320 CB PRO A 23 -10.141 -3.616 0.389 1.00 0.00 C ATOM 321 CG PRO A 23 -10.573 -3.891 -1.072 1.00 0.00 C ATOM 322 CD PRO A 23 -11.274 -5.262 -1.072 1.00 0.00 C ATOM 0 HA PRO A 23 -10.504 -4.872 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.267 -2.563 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.087 -3.855 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.246 -3.112 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.709 -3.897 -1.737 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.224 -5.223 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.664 -6.021 -1.562 1.00 0.00 H new ATOM 330 N SER A 24 -12.005 -2.795 2.700 1.00 0.00 N ATOM 331 CA SER A 24 -13.133 -1.995 3.256 1.00 0.00 C ATOM 332 C SER A 24 -13.260 -0.684 2.478 1.00 0.00 C ATOM 333 O SER A 24 -13.939 0.234 2.893 1.00 0.00 O ATOM 334 CB SER A 24 -12.859 -1.688 4.729 1.00 0.00 C ATOM 335 OG SER A 24 -11.722 -2.425 5.157 1.00 0.00 O ATOM 0 H SER A 24 -11.085 -2.564 3.074 1.00 0.00 H new ATOM 0 HA SER A 24 -14.060 -2.561 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.687 -0.620 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.726 -1.950 5.335 1.00 0.00 H new ATOM 0 HG SER A 24 -11.542 -2.230 6.100 1.00 0.00 H new ATOM 341 N GLY A 25 -12.605 -0.587 1.355 1.00 0.00 N ATOM 342 CA GLY A 25 -12.680 0.666 0.553 1.00 0.00 C ATOM 343 C GLY A 25 -11.619 1.643 1.056 1.00 0.00 C ATOM 344 O GLY A 25 -10.866 2.207 0.288 1.00 0.00 O ATOM 0 H GLY A 25 -12.020 -1.322 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.520 0.447 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.672 1.110 0.640 1.00 0.00 H new ATOM 348 N GLU A 26 -11.550 1.843 2.344 1.00 0.00 N ATOM 349 CA GLU A 26 -10.544 2.770 2.903 1.00 0.00 C ATOM 350 C GLU A 26 -9.141 2.241 2.593 1.00 0.00 C ATOM 351 O GLU A 26 -8.165 2.963 2.634 1.00 0.00 O ATOM 352 CB GLU A 26 -10.763 2.863 4.414 1.00 0.00 C ATOM 353 CG GLU A 26 -10.093 1.681 5.123 1.00 0.00 C ATOM 354 CD GLU A 26 -8.643 2.041 5.454 1.00 0.00 C ATOM 355 OE1 GLU A 26 -8.230 3.132 5.099 1.00 0.00 O ATOM 356 OE2 GLU A 26 -7.972 1.220 6.056 1.00 0.00 O ATOM 0 H GLU A 26 -12.156 1.397 3.033 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.644 3.761 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.354 3.801 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.831 2.870 4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.636 1.436 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.123 0.797 4.487 1.00 0.00 H new ATOM 363 N CYS A 27 -9.033 0.983 2.277 1.00 0.00 N ATOM 364 CA CYS A 27 -7.698 0.416 1.958 1.00 0.00 C ATOM 365 C CYS A 27 -7.214 1.006 0.638 1.00 0.00 C ATOM 366 O CYS A 27 -6.155 1.601 0.558 1.00 0.00 O ATOM 367 CB CYS A 27 -7.803 -1.105 1.832 1.00 0.00 C ATOM 368 SG CYS A 27 -7.274 -1.877 3.379 1.00 0.00 S ATOM 0 H CYS A 27 -9.810 0.325 2.226 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.993 0.660 2.753 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.829 -1.391 1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.182 -1.456 1.007 1.00 0.00 H new ATOM 373 N CYS A 28 -7.986 0.852 -0.401 1.00 0.00 N ATOM 374 CA CYS A 28 -7.576 1.408 -1.715 1.00 0.00 C ATOM 375 C CYS A 28 -7.542 2.935 -1.623 1.00 0.00 C ATOM 376 O CYS A 28 -6.720 3.581 -2.241 1.00 0.00 O ATOM 377 CB CYS A 28 -8.558 0.931 -2.804 1.00 0.00 C ATOM 378 SG CYS A 28 -9.960 2.075 -2.982 1.00 0.00 S ATOM 0 H CYS A 28 -8.882 0.365 -0.395 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.579 1.057 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.034 0.845 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.928 -0.063 -2.552 1.00 0.00 H new ATOM 383 N ASN A 29 -8.418 3.523 -0.849 1.00 0.00 N ATOM 384 CA ASN A 29 -8.404 5.004 -0.725 1.00 0.00 C ATOM 385 C ASN A 29 -7.208 5.398 0.144 1.00 0.00 C ATOM 386 O ASN A 29 -6.724 6.509 0.088 1.00 0.00 O ATOM 387 CB ASN A 29 -9.736 5.490 -0.119 1.00 0.00 C ATOM 388 CG ASN A 29 -9.629 5.693 1.399 1.00 0.00 C ATOM 389 OD1 ASN A 29 -8.814 5.084 2.058 1.00 0.00 O ATOM 390 ND2 ASN A 29 -10.437 6.530 1.982 1.00 0.00 N ATOM 0 H ASN A 29 -9.134 3.044 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.302 5.476 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.030 6.427 -0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.520 4.764 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.383 6.672 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.124 7.044 1.430 1.00 0.00 H new ATOM 397 N GLY A 30 -6.718 4.477 0.933 1.00 0.00 N ATOM 398 CA GLY A 30 -5.537 4.778 1.786 1.00 0.00 C ATOM 399 C GLY A 30 -4.305 4.815 0.885 1.00 0.00 C ATOM 400 O GLY A 30 -3.554 5.777 0.866 1.00 0.00 O ATOM 0 H GLY A 30 -7.087 3.530 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.667 5.733 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.421 4.019 2.559 1.00 0.00 H new ATOM 404 N VAL A 31 -4.105 3.783 0.108 1.00 0.00 N ATOM 405 CA VAL A 31 -2.943 3.782 -0.814 1.00 0.00 C ATOM 406 C VAL A 31 -3.102 4.975 -1.754 1.00 0.00 C ATOM 407 O VAL A 31 -2.150 5.651 -2.086 1.00 0.00 O ATOM 408 CB VAL A 31 -2.898 2.476 -1.607 1.00 0.00 C ATOM 409 CG1 VAL A 31 -1.556 2.375 -2.335 1.00 0.00 C ATOM 410 CG2 VAL A 31 -3.038 1.294 -0.643 1.00 0.00 C ATOM 0 H VAL A 31 -4.693 2.950 0.075 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.010 3.861 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.712 2.458 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.519 1.445 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.447 3.220 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.745 2.388 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.006 0.361 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.219 1.312 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.988 1.367 -0.114 1.00 0.00 H new ATOM 420 N ARG A 32 -4.313 5.273 -2.147 1.00 0.00 N ATOM 421 CA ARG A 32 -4.527 6.460 -3.012 1.00 0.00 C ATOM 422 C ARG A 32 -4.140 7.672 -2.173 1.00 0.00 C ATOM 423 O ARG A 32 -3.619 8.656 -2.662 1.00 0.00 O ATOM 424 CB ARG A 32 -6.001 6.557 -3.413 1.00 0.00 C ATOM 425 CG ARG A 32 -6.212 7.798 -4.282 1.00 0.00 C ATOM 426 CD ARG A 32 -7.588 7.725 -4.941 1.00 0.00 C ATOM 427 NE ARG A 32 -8.556 8.543 -4.158 1.00 0.00 N ATOM 428 CZ ARG A 32 -9.203 8.007 -3.160 1.00 0.00 C ATOM 429 NH1 ARG A 32 -9.673 6.795 -3.264 1.00 0.00 N ATOM 430 NH2 ARG A 32 -9.381 8.685 -2.059 1.00 0.00 N ATOM 0 H ARG A 32 -5.154 4.748 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.935 6.398 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.300 5.662 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.628 6.612 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.135 8.699 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.434 7.859 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.532 8.090 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.926 6.690 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.713 9.521 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.535 6.267 -4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.179 6.376 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.014 9.633 -1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.887 8.266 -1.278 1.00 0.00 H new ATOM 444 N ASP A 33 -4.361 7.579 -0.885 1.00 0.00 N ATOM 445 CA ASP A 33 -3.970 8.690 0.016 1.00 0.00 C ATOM 446 C ASP A 33 -2.489 8.933 -0.220 1.00 0.00 C ATOM 447 O ASP A 33 -2.051 10.049 -0.408 1.00 0.00 O ATOM 448 CB ASP A 33 -4.209 8.288 1.475 1.00 0.00 C ATOM 449 CG ASP A 33 -4.356 9.545 2.334 1.00 0.00 C ATOM 450 OD1 ASP A 33 -5.002 10.476 1.881 1.00 0.00 O ATOM 451 OD2 ASP A 33 -3.822 9.556 3.431 1.00 0.00 O ATOM 0 H ASP A 33 -4.796 6.779 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.555 9.588 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.107 7.675 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.378 7.683 1.837 1.00 0.00 H new ATOM 456 N LEU A 34 -1.719 7.877 -0.258 1.00 0.00 N ATOM 457 CA LEU A 34 -0.278 8.025 -0.538 1.00 0.00 C ATOM 458 C LEU A 34 -0.144 8.719 -1.891 1.00 0.00 C ATOM 459 O LEU A 34 0.647 9.623 -2.078 1.00 0.00 O ATOM 460 CB LEU A 34 0.340 6.634 -0.639 1.00 0.00 C ATOM 461 CG LEU A 34 0.545 6.017 0.749 1.00 0.00 C ATOM 462 CD1 LEU A 34 -0.611 6.397 1.678 1.00 0.00 C ATOM 463 CD2 LEU A 34 0.592 4.493 0.605 1.00 0.00 C ATOM 0 H LEU A 34 -2.036 6.920 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 34 0.219 8.598 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.305 5.989 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.297 6.695 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 34 1.476 6.391 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.451 5.951 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.658 7.482 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.549 6.029 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.738 4.039 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.346 4.139 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.418 4.215 -0.050 1.00 0.00 H new ATOM 475 N HIS A 35 -0.937 8.284 -2.831 1.00 0.00 N ATOM 476 CA HIS A 35 -0.915 8.873 -4.195 1.00 0.00 C ATOM 477 C HIS A 35 -0.974 10.401 -4.097 1.00 0.00 C ATOM 478 O HIS A 35 -0.267 11.106 -4.789 1.00 0.00 O ATOM 479 CB HIS A 35 -2.146 8.364 -4.946 1.00 0.00 C ATOM 480 CG HIS A 35 -1.729 7.581 -6.155 1.00 0.00 C ATOM 481 ND1 HIS A 35 -1.694 7.898 -7.487 1.00 0.00 N flip ATOM 482 CD2 HIS A 35 -1.301 6.269 -6.064 1.00 0.00 C flip ATOM 483 CE1 HIS A 35 -1.248 6.800 -8.217 1.00 0.00 C flip ATOM 484 NE2 HIS A 35 -1.028 5.846 -7.309 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.612 7.530 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.002 8.588 -4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.749 7.738 -4.288 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.771 9.205 -5.246 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.955 8.801 -7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.204 5.690 -5.157 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.110 6.734 -9.286 1.00 0.00 H new ATOM 492 N ASN A 36 -1.823 10.915 -3.247 1.00 0.00 N ATOM 493 CA ASN A 36 -1.943 12.396 -3.107 1.00 0.00 C ATOM 494 C ASN A 36 -0.807 12.937 -2.236 1.00 0.00 C ATOM 495 O ASN A 36 -0.419 14.082 -2.350 1.00 0.00 O ATOM 496 CB ASN A 36 -3.281 12.737 -2.447 1.00 0.00 C ATOM 497 CG ASN A 36 -4.314 13.074 -3.523 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.963 13.350 -4.653 1.00 0.00 O ATOM 499 ND2 ASN A 36 -5.582 13.064 -3.217 1.00 0.00 N ATOM 0 H ASN A 36 -2.440 10.372 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.887 12.850 -4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.627 11.895 -1.848 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.159 13.582 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.280 13.288 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.876 12.832 -2.268 1.00 0.00 H new ATOM 506 N GLN A 37 -0.277 12.129 -1.361 1.00 0.00 N ATOM 507 CA GLN A 37 0.823 12.609 -0.480 1.00 0.00 C ATOM 508 C GLN A 37 2.146 12.589 -1.245 1.00 0.00 C ATOM 509 O GLN A 37 2.682 13.619 -1.603 1.00 0.00 O ATOM 510 CB GLN A 37 0.927 11.699 0.745 1.00 0.00 C ATOM 511 CG GLN A 37 0.548 12.491 1.998 1.00 0.00 C ATOM 512 CD GLN A 37 -0.878 13.025 1.851 1.00 0.00 C ATOM 513 OE1 GLN A 37 -1.077 14.173 1.506 1.00 0.00 O ATOM 514 NE2 GLN A 37 -1.885 12.234 2.099 1.00 0.00 N ATOM 0 H GLN A 37 -0.557 11.159 -1.218 1.00 0.00 H new ATOM 0 HA GLN A 37 0.609 13.629 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.267 10.839 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.941 11.311 0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.620 11.854 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.244 13.317 2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.717 11.270 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.840 12.579 2.003 1.00 0.00 H new ATOM 523 N ALA A 38 2.681 11.427 -1.497 1.00 0.00 N ATOM 524 CA ALA A 38 3.972 11.351 -2.234 1.00 0.00 C ATOM 525 C ALA A 38 3.791 11.919 -3.644 1.00 0.00 C ATOM 526 O ALA A 38 2.814 11.647 -4.314 1.00 0.00 O ATOM 527 CB ALA A 38 4.426 9.893 -2.322 1.00 0.00 C ATOM 0 H ALA A 38 2.281 10.529 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 38 4.726 11.933 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.371 9.838 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.558 9.492 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.672 9.309 -2.850 1.00 0.00 H new ATOM 533 N GLN A 39 4.727 12.707 -4.100 1.00 0.00 N ATOM 534 CA GLN A 39 4.613 13.293 -5.466 1.00 0.00 C ATOM 535 C GLN A 39 5.780 12.804 -6.326 1.00 0.00 C ATOM 536 O GLN A 39 5.628 12.529 -7.500 1.00 0.00 O ATOM 537 CB GLN A 39 4.655 14.819 -5.370 1.00 0.00 C ATOM 538 CG GLN A 39 3.268 15.390 -5.671 1.00 0.00 C ATOM 539 CD GLN A 39 3.045 15.423 -7.185 1.00 0.00 C ATOM 540 OE1 GLN A 39 3.930 15.089 -7.948 1.00 0.00 O ATOM 541 NE2 GLN A 39 1.892 15.817 -7.655 1.00 0.00 N ATOM 0 H GLN A 39 5.567 12.970 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 39 3.671 12.983 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.976 15.122 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.385 15.218 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.501 14.780 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.180 16.395 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.149 16.097 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.734 15.844 -8.662 1.00 0.00 H new ATOM 579 N ASP A 43 9.561 10.687 -2.511 1.00 0.00 N ATOM 580 CA ASP A 43 8.392 10.805 -1.596 1.00 0.00 C ATOM 581 C ASP A 43 7.771 9.426 -1.382 1.00 0.00 C ATOM 582 O ASP A 43 7.309 9.107 -0.304 1.00 0.00 O ATOM 583 CB ASP A 43 7.354 11.747 -2.209 1.00 0.00 C ATOM 584 CG ASP A 43 8.021 13.077 -2.567 1.00 0.00 C ATOM 585 OD1 ASP A 43 9.067 13.042 -3.193 1.00 0.00 O ATOM 586 OD2 ASP A 43 7.473 14.107 -2.210 1.00 0.00 O ATOM 0 HA ASP A 43 8.721 11.206 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.918 11.295 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.539 11.915 -1.505 1.00 0.00 H new ATOM 591 N ARG A 44 7.760 8.595 -2.390 1.00 0.00 N ATOM 592 CA ARG A 44 7.179 7.251 -2.216 1.00 0.00 C ATOM 593 C ARG A 44 8.031 6.479 -1.214 1.00 0.00 C ATOM 594 O ARG A 44 7.520 5.836 -0.328 1.00 0.00 O ATOM 595 CB ARG A 44 7.155 6.539 -3.556 1.00 0.00 C ATOM 596 CG ARG A 44 5.900 6.947 -4.330 1.00 0.00 C ATOM 597 CD ARG A 44 6.191 8.211 -5.143 1.00 0.00 C ATOM 598 NE ARG A 44 4.970 8.608 -5.900 1.00 0.00 N ATOM 599 CZ ARG A 44 4.949 8.508 -7.202 1.00 0.00 C ATOM 600 NH1 ARG A 44 5.420 9.476 -7.940 1.00 0.00 N ATOM 601 NH2 ARG A 44 4.456 7.439 -7.766 1.00 0.00 N ATOM 0 H ARG A 44 8.129 8.796 -3.319 1.00 0.00 H new ATOM 0 HA ARG A 44 6.158 7.321 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.047 6.792 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.167 5.459 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.589 6.139 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.076 7.127 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.500 9.019 -4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.016 8.031 -5.832 1.00 0.00 H new ATOM 0 HE ARG A 44 4.152 8.957 -5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.805 10.312 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.403 9.397 -8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.087 6.682 -7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.439 7.360 -8.783 1.00 0.00 H new ATOM 615 N GLN A 45 9.331 6.563 -1.349 1.00 0.00 N ATOM 616 CA GLN A 45 10.257 5.857 -0.407 1.00 0.00 C ATOM 617 C GLN A 45 9.605 5.732 0.971 1.00 0.00 C ATOM 618 O GLN A 45 9.368 4.647 1.456 1.00 0.00 O ATOM 619 CB GLN A 45 11.556 6.657 -0.292 1.00 0.00 C ATOM 620 CG GLN A 45 12.074 6.990 -1.694 1.00 0.00 C ATOM 621 CD GLN A 45 12.025 5.738 -2.574 1.00 0.00 C ATOM 622 OE1 GLN A 45 11.080 5.616 -3.468 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 12.853 4.858 -2.443 1.00 0.00 N flip ATOM 0 H GLN A 45 9.797 7.098 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 45 10.471 4.858 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.383 7.574 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.302 6.083 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.469 7.781 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.096 7.365 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.591 4.952 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.810 4.025 -3.031 1.00 0.00 H new ATOM 632 N THR A 46 9.276 6.829 1.592 1.00 0.00 N ATOM 633 CA THR A 46 8.603 6.742 2.917 1.00 0.00 C ATOM 634 C THR A 46 7.387 5.835 2.765 1.00 0.00 C ATOM 635 O THR A 46 7.236 4.841 3.443 1.00 0.00 O ATOM 636 CB THR A 46 8.173 8.160 3.365 1.00 0.00 C ATOM 637 OG1 THR A 46 8.785 8.459 4.612 1.00 0.00 O ATOM 638 CG2 THR A 46 6.637 8.283 3.504 1.00 0.00 C ATOM 0 H THR A 46 9.442 7.773 1.244 1.00 0.00 H new ATOM 0 HA THR A 46 9.275 6.333 3.672 1.00 0.00 H new ATOM 0 HB THR A 46 8.494 8.867 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.518 9.357 4.901 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.380 9.294 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.167 8.073 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.281 7.569 4.247 1.00 0.00 H new ATOM 646 N VAL A 47 6.513 6.204 1.883 1.00 0.00 N ATOM 647 CA VAL A 47 5.275 5.413 1.663 1.00 0.00 C ATOM 648 C VAL A 47 5.611 3.970 1.270 1.00 0.00 C ATOM 649 O VAL A 47 5.520 3.053 2.069 1.00 0.00 O ATOM 650 CB VAL A 47 4.485 6.063 0.541 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.268 5.206 0.254 1.00 0.00 C ATOM 652 CG2 VAL A 47 4.041 7.465 0.968 1.00 0.00 C ATOM 0 H VAL A 47 6.602 7.032 1.295 1.00 0.00 H new ATOM 0 HA VAL A 47 4.695 5.392 2.586 1.00 0.00 H new ATOM 0 HB VAL A 47 5.103 6.147 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.687 5.657 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.588 4.208 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.653 5.136 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.474 7.929 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.414 7.393 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.918 8.072 1.191 1.00 0.00 H new ATOM 662 N CYS A 48 5.974 3.764 0.035 1.00 0.00 N ATOM 663 CA CYS A 48 6.306 2.398 -0.441 1.00 0.00 C ATOM 664 C CYS A 48 7.111 1.651 0.626 1.00 0.00 C ATOM 665 O CYS A 48 6.691 0.626 1.122 1.00 0.00 O ATOM 666 CB CYS A 48 7.128 2.501 -1.723 1.00 0.00 C ATOM 667 SG CYS A 48 7.457 0.832 -2.338 1.00 0.00 S ATOM 0 H CYS A 48 6.055 4.495 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 48 5.384 1.850 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.588 3.080 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.065 3.024 -1.530 1.00 0.00 H new ATOM 672 N ASN A 49 8.265 2.150 0.982 1.00 0.00 N ATOM 673 CA ASN A 49 9.084 1.453 2.018 1.00 0.00 C ATOM 674 C ASN A 49 8.183 1.076 3.192 1.00 0.00 C ATOM 675 O ASN A 49 8.267 -0.007 3.727 1.00 0.00 O ATOM 676 CB ASN A 49 10.205 2.373 2.507 1.00 0.00 C ATOM 677 CG ASN A 49 11.098 2.762 1.328 1.00 0.00 C ATOM 678 OD1 ASN A 49 11.014 2.176 0.267 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.958 3.734 1.469 1.00 0.00 N ATOM 0 H ASN A 49 8.674 3.004 0.604 1.00 0.00 H new ATOM 0 HA ASN A 49 9.528 0.556 1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.782 3.266 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.795 1.869 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.559 4.001 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.029 4.227 2.359 1.00 0.00 H new ATOM 686 N CYS A 50 7.315 1.959 3.591 1.00 0.00 N ATOM 687 CA CYS A 50 6.399 1.642 4.722 1.00 0.00 C ATOM 688 C CYS A 50 5.583 0.398 4.356 1.00 0.00 C ATOM 689 O CYS A 50 5.762 -0.659 4.919 1.00 0.00 O ATOM 690 CB CYS A 50 5.459 2.828 4.968 1.00 0.00 C ATOM 691 SG CYS A 50 5.885 3.632 6.535 1.00 0.00 S ATOM 0 H CYS A 50 7.199 2.887 3.184 1.00 0.00 H new ATOM 0 HA CYS A 50 6.974 1.453 5.629 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.538 3.543 4.149 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.425 2.485 4.994 1.00 0.00 H new ATOM 696 N LEU A 51 4.694 0.517 3.406 1.00 0.00 N ATOM 697 CA LEU A 51 3.868 -0.657 2.993 1.00 0.00 C ATOM 698 C LEU A 51 4.743 -1.904 2.891 1.00 0.00 C ATOM 699 O LEU A 51 4.279 -3.014 3.034 1.00 0.00 O ATOM 700 CB LEU A 51 3.252 -0.389 1.621 1.00 0.00 C ATOM 701 CG LEU A 51 1.974 0.421 1.789 1.00 0.00 C ATOM 702 CD1 LEU A 51 2.262 1.654 2.642 1.00 0.00 C ATOM 703 CD2 LEU A 51 1.455 0.859 0.413 1.00 0.00 C ATOM 0 H LEU A 51 4.503 1.379 2.896 1.00 0.00 H new ATOM 0 HA LEU A 51 3.087 -0.813 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.959 0.153 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.035 -1.331 1.118 1.00 0.00 H new ATOM 0 HG LEU A 51 1.219 -0.193 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.347 2.235 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.626 1.342 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.019 2.267 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.540 1.439 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.209 1.472 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.247 -0.022 -0.195 1.00 0.00 H new ATOM 715 N LYS A 52 6.003 -1.728 2.636 1.00 0.00 N ATOM 716 CA LYS A 52 6.908 -2.901 2.514 1.00 0.00 C ATOM 717 C LYS A 52 7.115 -3.503 3.893 1.00 0.00 C ATOM 718 O LYS A 52 6.739 -4.621 4.154 1.00 0.00 O ATOM 719 CB LYS A 52 8.257 -2.460 1.948 1.00 0.00 C ATOM 720 CG LYS A 52 9.226 -3.641 1.981 1.00 0.00 C ATOM 721 CD LYS A 52 9.747 -3.900 0.572 1.00 0.00 C ATOM 722 CE LYS A 52 9.738 -5.405 0.294 1.00 0.00 C ATOM 723 NZ LYS A 52 9.762 -5.640 -1.177 1.00 0.00 N ATOM 0 H LYS A 52 6.449 -0.820 2.506 1.00 0.00 H new ATOM 0 HA LYS A 52 6.464 -3.638 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.136 -2.102 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.656 -1.630 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.056 -3.428 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.723 -4.529 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.126 -3.381 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.758 -3.506 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.602 -5.877 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.850 -5.861 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.453 -6.613 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.121 -4.969 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.729 -5.503 -1.535 1.00 0.00 H new ATOM 737 N GLY A 53 7.711 -2.762 4.777 1.00 0.00 N ATOM 738 CA GLY A 53 7.941 -3.276 6.152 1.00 0.00 C ATOM 739 C GLY A 53 6.619 -3.796 6.729 1.00 0.00 C ATOM 740 O GLY A 53 6.518 -4.927 7.161 1.00 0.00 O ATOM 0 H GLY A 53 8.052 -1.816 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.682 -4.075 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.341 -2.485 6.786 1.00 0.00 H new ATOM 744 N ILE A 54 5.604 -2.974 6.733 1.00 0.00 N ATOM 745 CA ILE A 54 4.282 -3.410 7.271 1.00 0.00 C ATOM 746 C ILE A 54 3.860 -4.702 6.574 1.00 0.00 C ATOM 747 O ILE A 54 3.767 -5.754 7.176 1.00 0.00 O ATOM 748 CB ILE A 54 3.223 -2.339 6.982 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.695 -0.971 7.483 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.920 -2.711 7.690 1.00 0.00 C ATOM 751 CD1 ILE A 54 2.816 0.125 6.872 1.00 0.00 C ATOM 0 H ILE A 54 5.633 -2.015 6.385 1.00 0.00 H new ATOM 0 HA ILE A 54 4.369 -3.565 8.346 1.00 0.00 H new ATOM 0 HB ILE A 54 3.062 -2.286 5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.641 -0.931 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.738 -0.811 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.165 -1.951 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.570 -3.677 7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.094 -2.771 8.764 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.150 1.100 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.893 0.089 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.779 -0.033 7.168 1.00 0.00 H new ATOM 763 N ALA A 55 3.599 -4.614 5.301 1.00 0.00 N ATOM 764 CA ALA A 55 3.172 -5.807 4.524 1.00 0.00 C ATOM 765 C ALA A 55 4.152 -6.959 4.762 1.00 0.00 C ATOM 766 O ALA A 55 3.832 -8.112 4.555 1.00 0.00 O ATOM 767 CB ALA A 55 3.157 -5.446 3.035 1.00 0.00 C ATOM 0 H ALA A 55 3.665 -3.753 4.759 1.00 0.00 H new ATOM 0 HA ALA A 55 2.177 -6.117 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.845 -6.314 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.459 -4.626 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.156 -5.141 2.724 1.00 0.00 H new ATOM 773 N ARG A 56 5.342 -6.654 5.195 1.00 0.00 N ATOM 774 CA ARG A 56 6.348 -7.721 5.449 1.00 0.00 C ATOM 775 C ARG A 56 6.376 -8.048 6.941 1.00 0.00 C ATOM 776 O ARG A 56 7.421 -8.083 7.560 1.00 0.00 O ATOM 777 CB ARG A 56 7.730 -7.241 4.999 1.00 0.00 C ATOM 778 CG ARG A 56 8.542 -8.432 4.491 1.00 0.00 C ATOM 779 CD ARG A 56 8.863 -9.362 5.660 1.00 0.00 C ATOM 780 NE ARG A 56 9.812 -8.684 6.587 1.00 0.00 N ATOM 781 CZ ARG A 56 10.592 -9.394 7.354 1.00 0.00 C ATOM 782 NH1 ARG A 56 10.100 -10.383 8.048 1.00 0.00 N ATOM 783 NH2 ARG A 56 11.864 -9.113 7.429 1.00 0.00 N ATOM 0 H ARG A 56 5.663 -5.705 5.385 1.00 0.00 H new ATOM 0 HA ARG A 56 6.079 -8.616 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.629 -6.494 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.248 -6.761 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.980 -8.970 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.464 -8.085 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.948 -9.628 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.299 -10.290 5.291 1.00 0.00 H new ATOM 0 HE ARG A 56 9.852 -7.665 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.105 -10.601 7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.710 -10.938 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.248 -8.338 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.474 -9.668 8.029 1.00 0.00 H new ATOM 797 N GLY A 57 5.237 -8.290 7.523 1.00 0.00 N ATOM 798 CA GLY A 57 5.194 -8.621 8.974 1.00 0.00 C ATOM 799 C GLY A 57 3.925 -9.416 9.230 1.00 0.00 C ATOM 800 O GLY A 57 3.377 -9.422 10.315 1.00 0.00 O ATOM 0 H GLY A 57 4.331 -8.273 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.072 -9.200 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.203 -7.711 9.574 1.00 0.00 H new ATOM 804 N ILE A 58 3.449 -10.072 8.215 1.00 0.00 N ATOM 805 CA ILE A 58 2.204 -10.862 8.342 1.00 0.00 C ATOM 806 C ILE A 58 2.524 -12.354 8.171 1.00 0.00 C ATOM 807 O ILE A 58 3.491 -12.724 7.535 1.00 0.00 O ATOM 808 CB ILE A 58 1.241 -10.381 7.255 1.00 0.00 C ATOM 809 CG1 ILE A 58 0.518 -9.128 7.749 1.00 0.00 C ATOM 810 CG2 ILE A 58 0.215 -11.459 6.931 1.00 0.00 C ATOM 811 CD1 ILE A 58 -0.303 -8.535 6.605 1.00 0.00 C ATOM 0 H ILE A 58 3.878 -10.093 7.290 1.00 0.00 H new ATOM 0 HA ILE A 58 1.750 -10.728 9.324 1.00 0.00 H new ATOM 0 HB ILE A 58 1.810 -10.158 6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.132 -9.376 8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.240 -8.396 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.460 -11.097 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.727 -12.354 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.357 -11.698 7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.820 -7.641 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.359 -8.273 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.035 -9.268 6.264 1.00 0.00 H new ATOM 823 N HIS A 59 1.721 -13.210 8.742 1.00 0.00 N ATOM 824 CA HIS A 59 1.975 -14.675 8.625 1.00 0.00 C ATOM 825 C HIS A 59 2.049 -15.075 7.149 1.00 0.00 C ATOM 826 O HIS A 59 3.066 -15.541 6.673 1.00 0.00 O ATOM 827 CB HIS A 59 0.839 -15.445 9.302 1.00 0.00 C ATOM 828 CG HIS A 59 1.410 -16.596 10.086 1.00 0.00 C ATOM 829 ND1 HIS A 59 0.686 -17.751 10.339 1.00 0.00 N ATOM 830 CD2 HIS A 59 2.635 -16.784 10.679 1.00 0.00 C ATOM 831 CE1 HIS A 59 1.474 -18.575 11.055 1.00 0.00 C ATOM 832 NE2 HIS A 59 2.673 -18.034 11.290 1.00 0.00 N ATOM 0 H HIS A 59 0.897 -12.957 9.287 1.00 0.00 H new ATOM 0 HA HIS A 59 2.921 -14.914 9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.280 -14.783 9.963 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.138 -15.814 8.553 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.445 -16.070 10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.174 -19.554 11.398 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.449 -18.448 11.806 1.00 0.00 H new ATOM 840 N ASN A 60 0.979 -14.901 6.422 1.00 0.00 N ATOM 841 CA ASN A 60 0.987 -15.276 4.979 1.00 0.00 C ATOM 842 C ASN A 60 0.272 -14.194 4.167 1.00 0.00 C ATOM 843 O ASN A 60 -0.832 -14.384 3.698 1.00 0.00 O ATOM 844 CB ASN A 60 0.263 -16.613 4.796 1.00 0.00 C ATOM 845 CG ASN A 60 1.009 -17.463 3.765 1.00 0.00 C ATOM 846 OD1 ASN A 60 1.529 -18.512 4.089 1.00 0.00 O ATOM 847 ND2 ASN A 60 1.083 -17.052 2.528 1.00 0.00 N ATOM 0 H ASN A 60 0.099 -14.515 6.765 1.00 0.00 H new ATOM 0 HA ASN A 60 2.016 -15.369 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.208 -17.142 5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.762 -16.441 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.578 -17.612 1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.646 -16.171 2.256 1.00 0.00 H new ATOM 854 N LEU A 61 0.892 -13.060 4.002 1.00 0.00 N ATOM 855 CA LEU A 61 0.249 -11.965 3.223 1.00 0.00 C ATOM 856 C LEU A 61 -0.293 -12.516 1.902 1.00 0.00 C ATOM 857 O LEU A 61 0.246 -13.446 1.337 1.00 0.00 O ATOM 858 CB LEU A 61 1.280 -10.875 2.929 1.00 0.00 C ATOM 859 CG LEU A 61 0.611 -9.735 2.158 1.00 0.00 C ATOM 860 CD1 LEU A 61 0.911 -8.404 2.850 1.00 0.00 C ATOM 861 CD2 LEU A 61 1.152 -9.699 0.727 1.00 0.00 C ATOM 0 H LEU A 61 1.817 -12.843 4.373 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.573 -11.547 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.703 -10.499 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.105 -11.287 2.347 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.467 -9.897 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.434 -7.593 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.524 -8.428 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.989 -8.241 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.675 -8.887 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.230 -9.538 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.937 -10.646 0.233 1.00 0.00 H new ATOM 873 N ASN A 62 -1.352 -11.941 1.405 1.00 0.00 N ATOM 874 CA ASN A 62 -1.929 -12.418 0.119 1.00 0.00 C ATOM 875 C ASN A 62 -1.666 -11.376 -0.967 1.00 0.00 C ATOM 876 O ASN A 62 -2.089 -10.240 -0.868 1.00 0.00 O ATOM 877 CB ASN A 62 -3.437 -12.620 0.274 1.00 0.00 C ATOM 878 CG ASN A 62 -3.837 -13.962 -0.342 1.00 0.00 C ATOM 879 OD1 ASN A 62 -3.022 -14.636 -0.940 1.00 0.00 O ATOM 880 ND2 ASN A 62 -5.066 -14.380 -0.221 1.00 0.00 N ATOM 0 H ASN A 62 -1.844 -11.158 1.836 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.465 -13.365 -0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.712 -12.595 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.976 -11.808 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.343 -15.273 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.750 -13.814 0.281 1.00 0.00 H new ATOM 887 N LEU A 63 -0.968 -11.750 -2.002 1.00 0.00 N ATOM 888 CA LEU A 63 -0.673 -10.778 -3.092 1.00 0.00 C ATOM 889 C LEU A 63 -1.965 -10.437 -3.839 1.00 0.00 C ATOM 890 O LEU A 63 -2.171 -9.316 -4.254 1.00 0.00 O ATOM 891 CB LEU A 63 0.343 -11.384 -4.072 1.00 0.00 C ATOM 892 CG LEU A 63 1.635 -11.784 -3.338 1.00 0.00 C ATOM 893 CD1 LEU A 63 1.910 -10.828 -2.171 1.00 0.00 C ATOM 894 CD2 LEU A 63 1.498 -13.211 -2.801 1.00 0.00 C ATOM 0 H LEU A 63 -0.589 -12.687 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.254 -9.870 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.090 -12.258 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.573 -10.664 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 63 2.466 -11.730 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.828 -11.127 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.020 -9.812 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.078 -10.864 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.413 -13.494 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.658 -13.260 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.325 -13.897 -3.630 1.00 0.00 H new ATOM 906 N ASN A 64 -2.838 -11.390 -4.013 1.00 0.00 N ATOM 907 CA ASN A 64 -4.112 -11.105 -4.732 1.00 0.00 C ATOM 908 C ASN A 64 -4.810 -9.912 -4.079 1.00 0.00 C ATOM 909 O ASN A 64 -5.110 -8.927 -4.723 1.00 0.00 O ATOM 910 CB ASN A 64 -5.024 -12.328 -4.657 1.00 0.00 C ATOM 911 CG ASN A 64 -6.428 -11.947 -5.129 1.00 0.00 C ATOM 912 OD1 ASN A 64 -7.200 -11.249 -4.341 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 -6.826 -12.284 -6.226 1.00 0.00 N flip ATOM 0 H ASN A 64 -2.725 -12.351 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.896 -10.875 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.626 -13.131 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.062 -12.704 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.223 -12.829 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.763 -12.022 -6.531 1.00 0.00 H new ATOM 920 N ASN A 65 -5.075 -9.992 -2.805 1.00 0.00 N ATOM 921 CA ASN A 65 -5.753 -8.861 -2.117 1.00 0.00 C ATOM 922 C ASN A 65 -4.829 -7.648 -2.141 1.00 0.00 C ATOM 923 O ASN A 65 -5.249 -6.529 -2.362 1.00 0.00 O ATOM 924 CB ASN A 65 -6.037 -9.245 -0.668 1.00 0.00 C ATOM 925 CG ASN A 65 -7.282 -10.132 -0.605 1.00 0.00 C ATOM 926 OD1 ASN A 65 -7.150 -11.397 -0.314 1.00 0.00 O flip ATOM 927 ND2 ASN A 65 -8.384 -9.669 -0.822 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.851 -10.791 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.691 -8.629 -2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.181 -9.772 -0.247 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.186 -8.348 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.486 -8.680 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.207 -10.269 -0.777 1.00 0.00 H new ATOM 934 N ALA A 66 -3.568 -7.872 -1.919 1.00 0.00 N ATOM 935 CA ALA A 66 -2.590 -6.745 -1.930 1.00 0.00 C ATOM 936 C ALA A 66 -2.239 -6.388 -3.377 1.00 0.00 C ATOM 937 O ALA A 66 -1.388 -5.560 -3.634 1.00 0.00 O ATOM 938 CB ALA A 66 -1.319 -7.161 -1.186 1.00 0.00 C ATOM 0 H ALA A 66 -3.167 -8.790 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.031 -5.879 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.606 -6.337 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.567 -7.415 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.877 -8.028 -1.677 1.00 0.00 H new ATOM 944 N ALA A 67 -2.888 -7.008 -4.324 1.00 0.00 N ATOM 945 CA ALA A 67 -2.596 -6.708 -5.752 1.00 0.00 C ATOM 946 C ALA A 67 -3.818 -6.041 -6.389 1.00 0.00 C ATOM 947 O ALA A 67 -3.835 -5.755 -7.569 1.00 0.00 O ATOM 948 CB ALA A 67 -2.285 -8.012 -6.491 1.00 0.00 C ATOM 0 H ALA A 67 -3.610 -7.711 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.738 -6.038 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.071 -7.795 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.419 -8.491 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.144 -8.680 -6.428 1.00 0.00 H new ATOM 954 N SER A 68 -4.846 -5.800 -5.619 1.00 0.00 N ATOM 955 CA SER A 68 -6.068 -5.162 -6.185 1.00 0.00 C ATOM 956 C SER A 68 -6.292 -3.788 -5.545 1.00 0.00 C ATOM 957 O SER A 68 -7.239 -3.095 -5.862 1.00 0.00 O ATOM 958 CB SER A 68 -7.277 -6.053 -5.900 1.00 0.00 C ATOM 959 OG SER A 68 -8.371 -5.631 -6.704 1.00 0.00 O ATOM 0 H SER A 68 -4.891 -6.018 -4.624 1.00 0.00 H new ATOM 0 HA SER A 68 -5.940 -5.037 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.034 -7.094 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.544 -5.997 -4.845 1.00 0.00 H new ATOM 0 HG SER A 68 -8.414 -4.652 -6.710 1.00 0.00 H new ATOM 965 N ILE A 69 -5.431 -3.382 -4.650 1.00 0.00 N ATOM 966 CA ILE A 69 -5.618 -2.046 -4.006 1.00 0.00 C ATOM 967 C ILE A 69 -5.702 -0.963 -5.089 1.00 0.00 C ATOM 968 O ILE A 69 -6.599 -0.141 -5.069 1.00 0.00 O ATOM 969 CB ILE A 69 -4.455 -1.710 -3.057 1.00 0.00 C ATOM 970 CG1 ILE A 69 -3.819 -2.988 -2.505 1.00 0.00 C ATOM 971 CG2 ILE A 69 -4.987 -0.875 -1.890 1.00 0.00 C ATOM 972 CD1 ILE A 69 -2.527 -3.281 -3.271 1.00 0.00 C ATOM 0 H ILE A 69 -4.615 -3.909 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.540 -2.080 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.700 -1.153 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.607 -2.873 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.511 -3.824 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.168 -0.633 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.426 0.046 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.746 -1.443 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.071 -4.191 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.753 -3.414 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.835 -2.447 -3.150 1.00 0.00 H new ATOM 984 N PRO A 70 -4.759 -0.985 -6.003 1.00 0.00 N ATOM 985 CA PRO A 70 -4.700 -0.005 -7.097 1.00 0.00 C ATOM 986 C PRO A 70 -5.704 -0.369 -8.188 1.00 0.00 C ATOM 987 O PRO A 70 -6.386 0.478 -8.725 1.00 0.00 O ATOM 988 CB PRO A 70 -3.263 -0.125 -7.610 1.00 0.00 C ATOM 989 CG PRO A 70 -2.760 -1.522 -7.184 1.00 0.00 C ATOM 990 CD PRO A 70 -3.673 -1.989 -6.038 1.00 0.00 C ATOM 0 HA PRO A 70 -4.948 1.009 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.228 -0.014 -8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.634 0.659 -7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.801 -2.220 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.721 -1.476 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.063 -2.990 -6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.135 -2.026 -5.091 1.00 0.00 H new ATOM 998 N SER A 71 -5.803 -1.623 -8.516 1.00 0.00 N ATOM 999 CA SER A 71 -6.770 -2.040 -9.567 1.00 0.00 C ATOM 1000 C SER A 71 -8.184 -1.653 -9.130 1.00 0.00 C ATOM 1001 O SER A 71 -9.084 -1.531 -9.937 1.00 0.00 O ATOM 1002 CB SER A 71 -6.696 -3.554 -9.754 1.00 0.00 C ATOM 1003 OG SER A 71 -5.582 -3.872 -10.576 1.00 0.00 O ATOM 0 H SER A 71 -5.257 -2.379 -8.103 1.00 0.00 H new ATOM 0 HA SER A 71 -6.526 -1.545 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.601 -4.047 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.615 -3.921 -10.210 1.00 0.00 H new ATOM 0 HG SER A 71 -5.531 -4.843 -10.696 1.00 0.00 H new ATOM 1009 N LYS A 72 -8.386 -1.465 -7.855 1.00 0.00 N ATOM 1010 CA LYS A 72 -9.742 -1.092 -7.362 1.00 0.00 C ATOM 1011 C LYS A 72 -9.857 0.433 -7.263 1.00 0.00 C ATOM 1012 O LYS A 72 -10.756 1.031 -7.819 1.00 0.00 O ATOM 1013 CB LYS A 72 -9.973 -1.714 -5.983 1.00 0.00 C ATOM 1014 CG LYS A 72 -11.446 -1.563 -5.593 1.00 0.00 C ATOM 1015 CD LYS A 72 -12.068 -2.947 -5.393 1.00 0.00 C ATOM 1016 CE LYS A 72 -12.436 -3.134 -3.920 1.00 0.00 C ATOM 1017 NZ LYS A 72 -13.395 -2.071 -3.507 1.00 0.00 N ATOM 0 H LYS A 72 -7.671 -1.554 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.493 -1.464 -8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.696 -2.768 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.338 -1.228 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.532 -0.979 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.985 -1.020 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.956 -3.052 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.367 -3.721 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.880 -4.118 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.539 -3.089 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.049 -2.452 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.871 -1.268 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.935 -1.750 -4.336 1.00 0.00 H new ATOM 1031 N CYS A 73 -8.961 1.068 -6.554 1.00 0.00 N ATOM 1032 CA CYS A 73 -9.039 2.552 -6.422 1.00 0.00 C ATOM 1033 C CYS A 73 -8.556 3.219 -7.712 1.00 0.00 C ATOM 1034 O CYS A 73 -8.535 4.429 -7.825 1.00 0.00 O ATOM 1035 CB CYS A 73 -8.160 3.012 -5.259 1.00 0.00 C ATOM 1036 SG CYS A 73 -9.206 3.689 -3.944 1.00 0.00 S ATOM 0 H CYS A 73 -8.183 0.626 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.075 2.835 -6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.575 2.175 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.452 3.767 -5.601 1.00 0.00 H new ATOM 1041 N ASN A 74 -8.165 2.445 -8.685 1.00 0.00 N ATOM 1042 CA ASN A 74 -7.683 3.042 -9.962 1.00 0.00 C ATOM 1043 C ASN A 74 -6.619 4.102 -9.665 1.00 0.00 C ATOM 1044 O ASN A 74 -6.643 5.186 -10.213 1.00 0.00 O ATOM 1045 CB ASN A 74 -8.858 3.695 -10.694 1.00 0.00 C ATOM 1046 CG ASN A 74 -9.191 2.891 -11.952 1.00 0.00 C ATOM 1047 OD1 ASN A 74 -8.800 1.747 -12.078 1.00 0.00 O ATOM 1048 ND2 ASN A 74 -9.903 3.444 -12.896 1.00 0.00 N ATOM 0 H ASN A 74 -8.158 1.426 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.251 2.260 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.728 3.740 -10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.607 4.721 -10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.131 2.916 -13.739 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.232 4.404 -12.791 1.00 0.00 H new ATOM 1055 N VAL A 75 -5.680 3.801 -8.805 1.00 0.00 N ATOM 1056 CA VAL A 75 -4.617 4.805 -8.489 1.00 0.00 C ATOM 1057 C VAL A 75 -3.416 4.574 -9.399 1.00 0.00 C ATOM 1058 O VAL A 75 -2.788 5.499 -9.874 1.00 0.00 O ATOM 1059 CB VAL A 75 -4.180 4.683 -7.025 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -5.076 5.556 -6.146 1.00 0.00 C ATOM 1061 CG2 VAL A 75 -4.283 3.228 -6.568 1.00 0.00 C ATOM 0 H VAL A 75 -5.602 2.912 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.019 5.805 -8.652 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.146 5.015 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.763 5.467 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.994 6.596 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.111 5.228 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.971 3.151 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.314 2.889 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.638 2.605 -7.188 1.00 0.00 H new ATOM 1071 N ASN A 76 -3.108 3.341 -9.649 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.960 3.007 -10.540 1.00 0.00 C ATOM 1073 C ASN A 76 -0.626 3.234 -9.819 1.00 0.00 C ATOM 1074 O ASN A 76 0.320 3.733 -10.396 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.016 3.878 -11.796 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.170 2.980 -13.025 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -2.975 3.250 -13.893 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -1.426 1.913 -13.133 1.00 0.00 N ATOM 0 H ASN A 76 -3.606 2.535 -9.272 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.031 1.955 -10.816 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.852 4.575 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.108 4.476 -11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.521 1.306 -13.947 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.750 1.687 -12.404 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.527 2.844 -8.576 1.00 0.00 N ATOM 1086 CA VAL A 77 0.764 3.011 -7.846 1.00 0.00 C ATOM 1087 C VAL A 77 1.684 1.858 -8.286 1.00 0.00 C ATOM 1088 O VAL A 77 1.206 0.887 -8.839 1.00 0.00 O ATOM 1089 CB VAL A 77 0.494 2.988 -6.326 1.00 0.00 C ATOM 1090 CG1 VAL A 77 0.615 1.569 -5.770 1.00 0.00 C ATOM 1091 CG2 VAL A 77 1.491 3.905 -5.613 1.00 0.00 C ATOM 0 H VAL A 77 -1.281 2.419 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 77 1.244 3.963 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.523 3.341 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.420 1.581 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.110 0.922 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.621 1.192 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.299 3.887 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.506 3.558 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.379 4.923 -5.985 1.00 0.00 H new ATOM 1101 N PRO A 78 2.973 1.989 -8.069 1.00 0.00 N ATOM 1102 CA PRO A 78 3.935 0.961 -8.486 1.00 0.00 C ATOM 1103 C PRO A 78 4.115 -0.056 -7.362 1.00 0.00 C ATOM 1104 O PRO A 78 4.312 -1.234 -7.584 1.00 0.00 O ATOM 1105 CB PRO A 78 5.223 1.763 -8.694 1.00 0.00 C ATOM 1106 CG PRO A 78 5.083 3.053 -7.840 1.00 0.00 C ATOM 1107 CD PRO A 78 3.607 3.147 -7.402 1.00 0.00 C ATOM 0 HA PRO A 78 3.631 0.403 -9.371 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.094 1.185 -8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.361 2.008 -9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 78 5.741 3.014 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.370 3.931 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.506 3.090 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.155 4.088 -7.716 1.00 0.00 H new ATOM 1115 N TYR A 79 4.065 0.419 -6.156 1.00 0.00 N ATOM 1116 CA TYR A 79 4.248 -0.450 -4.979 1.00 0.00 C ATOM 1117 C TYR A 79 2.893 -0.845 -4.384 1.00 0.00 C ATOM 1118 O TYR A 79 1.857 -0.434 -4.848 1.00 0.00 O ATOM 1119 CB TYR A 79 5.039 0.347 -3.955 1.00 0.00 C ATOM 1120 CG TYR A 79 4.303 1.614 -3.595 1.00 0.00 C ATOM 1121 CD1 TYR A 79 3.120 1.543 -2.848 1.00 0.00 C ATOM 1122 CD2 TYR A 79 4.811 2.860 -3.985 1.00 0.00 C ATOM 1123 CE1 TYR A 79 2.445 2.715 -2.492 1.00 0.00 C ATOM 1124 CE2 TYR A 79 4.137 4.030 -3.629 1.00 0.00 C ATOM 1125 CZ TYR A 79 2.956 3.961 -2.879 1.00 0.00 C ATOM 1126 OH TYR A 79 2.291 5.118 -2.527 1.00 0.00 O ATOM 0 H TYR A 79 3.900 1.401 -5.935 1.00 0.00 H new ATOM 0 HA TYR A 79 4.770 -1.365 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.199 -0.255 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.023 0.591 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.729 0.582 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.723 2.916 -4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.531 2.660 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.527 4.990 -3.933 1.00 0.00 H new ATOM 0 HH TYR A 79 2.779 5.894 -2.873 1.00 0.00 H new ATOM 1136 N THR A 80 2.901 -1.629 -3.346 1.00 0.00 N ATOM 1137 CA THR A 80 1.620 -2.036 -2.699 1.00 0.00 C ATOM 1138 C THR A 80 1.927 -2.526 -1.287 1.00 0.00 C ATOM 1139 O THR A 80 3.072 -2.702 -0.923 1.00 0.00 O ATOM 1140 CB THR A 80 0.954 -3.169 -3.494 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.697 -4.368 -3.325 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.896 -2.805 -4.979 1.00 0.00 C ATOM 0 H THR A 80 3.743 -2.009 -2.913 1.00 0.00 H new ATOM 0 HA THR A 80 0.941 -1.184 -2.671 1.00 0.00 H new ATOM 0 HB THR A 80 -0.061 -3.314 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.271 -5.091 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.422 -3.615 -5.534 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.317 -1.890 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.907 -2.650 -5.355 1.00 0.00 H new ATOM 1150 N ILE A 81 0.926 -2.771 -0.489 1.00 0.00 N ATOM 1151 CA ILE A 81 1.208 -3.275 0.883 1.00 0.00 C ATOM 1152 C ILE A 81 1.489 -4.781 0.764 1.00 0.00 C ATOM 1153 O ILE A 81 0.634 -5.629 0.913 1.00 0.00 O ATOM 1154 CB ILE A 81 0.045 -2.915 1.853 1.00 0.00 C ATOM 1155 CG1 ILE A 81 -0.741 -4.149 2.284 1.00 0.00 C ATOM 1156 CG2 ILE A 81 -0.918 -1.930 1.186 1.00 0.00 C ATOM 1157 CD1 ILE A 81 -1.898 -3.728 3.191 1.00 0.00 C ATOM 0 H ILE A 81 -0.059 -2.647 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 81 2.085 -2.798 1.320 1.00 0.00 H new ATOM 0 HB ILE A 81 0.497 -2.464 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.124 -4.673 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.087 -4.844 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.726 -1.687 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.381 -1.019 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.334 -2.381 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.459 -4.611 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.504 -3.223 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.557 -3.050 2.649 1.00 0.00 H new ATOM 1169 N SER A 82 2.711 -5.103 0.435 1.00 0.00 N ATOM 1170 CA SER A 82 3.095 -6.527 0.245 1.00 0.00 C ATOM 1171 C SER A 82 4.581 -6.700 0.566 1.00 0.00 C ATOM 1172 O SER A 82 5.325 -5.746 0.569 1.00 0.00 O ATOM 1173 CB SER A 82 2.855 -6.904 -1.217 1.00 0.00 C ATOM 1174 OG SER A 82 3.805 -7.884 -1.615 1.00 0.00 O ATOM 0 H SER A 82 3.465 -4.432 0.289 1.00 0.00 H new ATOM 0 HA SER A 82 2.503 -7.163 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.844 -7.290 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.940 -6.021 -1.850 1.00 0.00 H new ATOM 0 HG SER A 82 3.651 -8.128 -2.552 1.00 0.00 H new ATOM 1180 N PRO A 83 4.971 -7.916 0.821 1.00 0.00 N ATOM 1181 CA PRO A 83 6.368 -8.248 1.128 1.00 0.00 C ATOM 1182 C PRO A 83 7.159 -8.463 -0.170 1.00 0.00 C ATOM 1183 O PRO A 83 8.129 -9.194 -0.192 1.00 0.00 O ATOM 1184 CB PRO A 83 6.253 -9.564 1.900 1.00 0.00 C ATOM 1185 CG PRO A 83 4.898 -10.194 1.491 1.00 0.00 C ATOM 1186 CD PRO A 83 4.056 -9.072 0.854 1.00 0.00 C ATOM 0 HA PRO A 83 6.885 -7.466 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 83 7.080 -10.231 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.291 -9.388 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.049 -11.011 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.389 -10.613 2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 83 3.720 -9.344 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.164 -8.859 1.443 1.00 0.00 H new ATOM 1194 N ASP A 84 6.748 -7.860 -1.260 1.00 0.00 N ATOM 1195 CA ASP A 84 7.494 -8.084 -2.536 1.00 0.00 C ATOM 1196 C ASP A 84 7.455 -6.855 -3.462 1.00 0.00 C ATOM 1197 O ASP A 84 8.189 -6.794 -4.428 1.00 0.00 O ATOM 1198 CB ASP A 84 6.874 -9.274 -3.269 1.00 0.00 C ATOM 1199 CG ASP A 84 7.813 -9.732 -4.386 1.00 0.00 C ATOM 1200 OD1 ASP A 84 8.998 -9.457 -4.287 1.00 0.00 O ATOM 1201 OD2 ASP A 84 7.332 -10.351 -5.321 1.00 0.00 O ATOM 0 H ASP A 84 5.944 -7.235 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 84 8.536 -8.275 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.696 -10.092 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.906 -8.994 -3.685 1.00 0.00 H new ATOM 1206 N ILE A 85 6.623 -5.878 -3.206 1.00 0.00 N ATOM 1207 CA ILE A 85 6.592 -4.698 -4.118 1.00 0.00 C ATOM 1208 C ILE A 85 8.013 -4.154 -4.280 1.00 0.00 C ATOM 1209 O ILE A 85 8.956 -4.695 -3.737 1.00 0.00 O ATOM 1210 CB ILE A 85 5.682 -3.611 -3.542 1.00 0.00 C ATOM 1211 CG1 ILE A 85 6.296 -3.064 -2.250 1.00 0.00 C ATOM 1212 CG2 ILE A 85 4.297 -4.195 -3.267 1.00 0.00 C ATOM 1213 CD1 ILE A 85 6.067 -4.025 -1.087 1.00 0.00 C ATOM 0 H ILE A 85 5.975 -5.846 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 85 6.201 -5.001 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 85 5.583 -2.796 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.365 -2.905 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.857 -2.094 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.650 -3.420 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.869 -4.570 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.382 -5.012 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.513 -3.613 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.997 -4.163 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.528 -4.986 -1.313 1.00 0.00 H new ATOM 1225 N ASP A 86 8.179 -3.097 -5.025 1.00 0.00 N ATOM 1226 CA ASP A 86 9.547 -2.538 -5.218 1.00 0.00 C ATOM 1227 C ASP A 86 9.509 -1.014 -5.090 1.00 0.00 C ATOM 1228 O ASP A 86 8.835 -0.336 -5.838 1.00 0.00 O ATOM 1229 CB ASP A 86 10.061 -2.921 -6.608 1.00 0.00 C ATOM 1230 CG ASP A 86 11.590 -2.904 -6.610 1.00 0.00 C ATOM 1231 OD1 ASP A 86 12.159 -2.417 -5.648 1.00 0.00 O ATOM 1232 OD2 ASP A 86 12.166 -3.379 -7.575 1.00 0.00 O ATOM 0 H ASP A 86 7.431 -2.598 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 86 10.212 -2.945 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.698 -3.912 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.678 -2.224 -7.354 1.00 0.00 H new ATOM 1237 N CYS A 87 10.232 -0.472 -4.148 1.00 0.00 N ATOM 1238 CA CYS A 87 10.243 1.008 -3.973 1.00 0.00 C ATOM 1239 C CYS A 87 11.409 1.604 -4.761 1.00 0.00 C ATOM 1240 O CYS A 87 11.384 2.754 -5.152 1.00 0.00 O ATOM 1241 CB CYS A 87 10.399 1.345 -2.488 1.00 0.00 C ATOM 1242 SG CYS A 87 9.239 0.347 -1.532 1.00 0.00 S ATOM 0 H CYS A 87 10.816 -0.991 -3.492 1.00 0.00 H new ATOM 0 HA CYS A 87 9.306 1.426 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.421 1.149 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.210 2.405 -2.321 1.00 0.00 H new ATOM 1247 N SER A 88 12.432 0.830 -4.998 1.00 0.00 N ATOM 1248 CA SER A 88 13.597 1.354 -5.763 1.00 0.00 C ATOM 1249 C SER A 88 13.164 1.685 -7.192 1.00 0.00 C ATOM 1250 O SER A 88 13.874 2.339 -7.929 1.00 0.00 O ATOM 1251 CB SER A 88 14.699 0.300 -5.793 1.00 0.00 C ATOM 1252 OG SER A 88 15.873 0.829 -5.192 1.00 0.00 O ATOM 0 H SER A 88 12.511 -0.141 -4.695 1.00 0.00 H new ATOM 0 HA SER A 88 13.972 2.257 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.376 -0.595 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.906 0.003 -6.821 1.00 0.00 H new ATOM 0 HG SER A 88 16.582 0.153 -5.209 1.00 0.00 H new ATOM 1258 N ARG A 89 12.004 1.235 -7.590 1.00 0.00 N ATOM 1259 CA ARG A 89 11.527 1.522 -8.972 1.00 0.00 C ATOM 1260 C ARG A 89 10.131 2.148 -8.921 1.00 0.00 C ATOM 1261 O ARG A 89 9.243 1.769 -9.657 1.00 0.00 O ATOM 1262 CB ARG A 89 11.472 0.217 -9.770 1.00 0.00 C ATOM 1263 CG ARG A 89 12.785 -0.545 -9.586 1.00 0.00 C ATOM 1264 CD ARG A 89 13.787 -0.105 -10.656 1.00 0.00 C ATOM 1265 NE ARG A 89 14.161 -1.277 -11.499 1.00 0.00 N ATOM 1266 CZ ARG A 89 13.598 -1.452 -12.664 1.00 0.00 C ATOM 1267 NH1 ARG A 89 12.453 -2.073 -12.748 1.00 0.00 N ATOM 1268 NH2 ARG A 89 14.179 -1.005 -13.744 1.00 0.00 N ATOM 0 H ARG A 89 11.367 0.681 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 89 12.214 2.218 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.634 -0.393 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.307 0.430 -10.826 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.191 -0.355 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.608 -1.618 -9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.352 0.679 -11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.675 0.317 -10.186 1.00 0.00 H new ATOM 0 HE ARG A 89 14.858 -1.943 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.999 -2.421 -11.904 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.013 -2.210 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.073 -0.519 -13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.739 -1.142 -14.654 1.00 0.00 H new ATOM 1282 N ILE A 90 9.931 3.109 -8.060 1.00 0.00 N ATOM 1283 CA ILE A 90 8.592 3.760 -7.971 1.00 0.00 C ATOM 1284 C ILE A 90 8.492 4.852 -9.039 1.00 0.00 C ATOM 1285 O ILE A 90 9.102 5.897 -8.931 1.00 0.00 O ATOM 1286 CB ILE A 90 8.414 4.382 -6.585 1.00 0.00 C ATOM 1287 CG1 ILE A 90 8.490 3.284 -5.523 1.00 0.00 C ATOM 1288 CG2 ILE A 90 7.053 5.076 -6.503 1.00 0.00 C ATOM 1289 CD1 ILE A 90 8.877 3.902 -4.179 1.00 0.00 C ATOM 0 H ILE A 90 10.634 3.471 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 90 7.812 3.016 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 90 9.203 5.114 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.529 2.777 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.223 2.532 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.929 5.518 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.997 5.858 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.262 4.347 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 90 8.931 3.120 -3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.848 4.389 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.128 4.638 -3.888 1.00 0.00 H new ATOM 1301 N TYR A 91 7.733 4.615 -10.072 1.00 0.00 N ATOM 1302 CA TYR A 91 7.601 5.637 -11.148 1.00 0.00 C ATOM 1303 C TYR A 91 6.412 6.550 -10.841 1.00 0.00 C ATOM 1304 O TYR A 91 6.595 7.496 -10.093 1.00 0.00 O ATOM 1305 CB TYR A 91 7.377 4.937 -12.490 1.00 0.00 C ATOM 1306 CG TYR A 91 8.701 4.464 -13.046 1.00 0.00 C ATOM 1307 CD1 TYR A 91 9.667 3.913 -12.194 1.00 0.00 C ATOM 1308 CD2 TYR A 91 8.963 4.578 -14.417 1.00 0.00 C ATOM 1309 CE1 TYR A 91 10.892 3.475 -12.714 1.00 0.00 C ATOM 1310 CE2 TYR A 91 10.187 4.141 -14.936 1.00 0.00 C ATOM 1311 CZ TYR A 91 11.152 3.590 -14.085 1.00 0.00 C ATOM 1312 OH TYR A 91 12.359 3.157 -14.596 1.00 0.00 O ATOM 1313 OXT TYR A 91 5.340 6.287 -11.360 1.00 0.00 O ATOM 0 H TYR A 91 7.199 3.759 -10.218 1.00 0.00 H new ATOM 0 HA TYR A 91 8.512 6.234 -11.198 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.703 4.090 -12.361 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.900 5.621 -13.192 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.467 3.826 -11.136 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.220 5.004 -15.075 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.636 3.049 -12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.387 4.229 -15.994 1.00 0.00 H new ATOM 0 HH TYR A 91 12.377 3.308 -15.564 1.00 0.00 H new