USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -1.43! K(o=-3.4!,f=0.14) USER MOD Set 1.2: A 123 GLN : amide:sc= -1.98! K(o=-3.4!,f=-0.23) USER MOD Set 2.1: A 96 THR OG1 : rot -143:sc= 1.42 USER MOD Set 2.2: A 101 THR OG1 : rot 74:sc= 0.136 USER MOD Single : A 20 HIS : no HE2:sc= 0.0552 K(o=0.055,f=-1.4) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 27 GLN : amide:sc= 0.05 X(o=0.05,f=-0.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.439 K(o=0.44,f=-1.9!) USER MOD Single : A 48 ASN : amide:sc= 0.852 K(o=0.85,f=-0.048) USER MOD Single : A 49 GLN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot 127:sc= 2.48 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.749 K(o=0.75,f=-0.0053) USER MOD Single : A 80 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.21) USER MOD Single : A 89 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.891) USER MOD Single : A 95 TYR OH : rot -138:sc= 1.13 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0391) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00852 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.372 K(o=0.37,f=-0.31) USER MOD Single : A 114 LYS NZ :NH3+ -103:sc= -0.151 (180deg=-1.19) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -5.147 -12.752 5.688 1.00 0.00 N ATOM 2 CA GLY A 19 -6.532 -13.237 5.800 1.00 0.00 C ATOM 3 C GLY A 19 -6.700 -14.578 5.101 1.00 0.00 C ATOM 4 O GLY A 19 -5.713 -15.179 4.677 1.00 0.00 O ATOM 0 HA2 GLY A 19 -6.803 -13.335 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.213 -12.507 5.362 1.00 0.00 H new ATOM 8 N HIS A 20 -7.940 -15.061 4.994 1.00 0.00 N ATOM 9 CA HIS A 20 -8.301 -16.274 4.270 1.00 0.00 C ATOM 10 C HIS A 20 -9.597 -15.986 3.515 1.00 0.00 C ATOM 11 O HIS A 20 -10.584 -15.573 4.134 1.00 0.00 O ATOM 12 CB HIS A 20 -8.509 -17.463 5.231 1.00 0.00 C ATOM 13 CG HIS A 20 -7.310 -17.890 6.048 1.00 0.00 C ATOM 14 ND1 HIS A 20 -5.985 -17.740 5.717 1.00 0.00 N ATOM 15 CD2 HIS A 20 -7.350 -18.562 7.236 1.00 0.00 C ATOM 16 CE1 HIS A 20 -5.246 -18.275 6.699 1.00 0.00 C ATOM 17 NE2 HIS A 20 -6.035 -18.798 7.654 1.00 0.00 N ATOM 0 H HIS A 20 -8.743 -14.602 5.424 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.497 -16.547 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.316 -17.209 5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.845 -18.319 4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.626 -17.298 4.871 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -8.244 -18.861 7.763 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.166 -18.285 6.720 1.00 0.00 H new ATOM 25 N MET A 21 -9.615 -16.214 2.200 1.00 0.00 N ATOM 26 CA MET A 21 -10.725 -15.929 1.293 1.00 0.00 C ATOM 27 C MET A 21 -11.349 -14.543 1.547 1.00 0.00 C ATOM 28 O MET A 21 -12.553 -14.424 1.814 1.00 0.00 O ATOM 29 CB MET A 21 -11.729 -17.097 1.319 1.00 0.00 C ATOM 30 CG MET A 21 -12.823 -16.983 0.241 1.00 0.00 C ATOM 31 SD MET A 21 -14.524 -17.100 0.867 1.00 0.00 S ATOM 32 CE MET A 21 -15.440 -16.639 -0.629 1.00 0.00 C ATOM 0 H MET A 21 -8.815 -16.623 1.716 1.00 0.00 H new ATOM 0 HA MET A 21 -10.347 -15.861 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.189 -18.034 1.182 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.199 -17.141 2.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 -12.706 -16.031 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 21 -12.668 -17.769 -0.498 1.00 0.00 H new ATOM 0 HE1 MET A 21 -16.510 -16.659 -0.421 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.150 -15.635 -0.939 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.212 -17.345 -1.427 1.00 0.00 H new ATOM 42 N LYS A 22 -10.549 -13.472 1.485 1.00 0.00 N ATOM 43 CA LYS A 22 -11.061 -12.116 1.653 1.00 0.00 C ATOM 44 C LYS A 22 -10.167 -11.131 0.904 1.00 0.00 C ATOM 45 O LYS A 22 -8.990 -10.998 1.234 1.00 0.00 O ATOM 46 CB LYS A 22 -11.128 -11.800 3.161 1.00 0.00 C ATOM 47 CG LYS A 22 -12.293 -10.893 3.590 1.00 0.00 C ATOM 48 CD LYS A 22 -13.629 -11.635 3.800 1.00 0.00 C ATOM 49 CE LYS A 22 -14.529 -11.665 2.559 1.00 0.00 C ATOM 50 NZ LYS A 22 -15.819 -12.338 2.831 1.00 0.00 N ATOM 0 H LYS A 22 -9.544 -13.523 1.319 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.064 -12.027 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.199 -12.739 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.192 -11.327 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.022 -10.387 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.434 -10.120 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.419 -12.659 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.171 -11.161 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.715 -10.646 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.014 -12.181 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.399 -12.338 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.643 -13.318 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.323 -11.831 3.587 1.00 0.00 H new ATOM 64 N PHE A 23 -10.765 -10.398 -0.042 1.00 0.00 N ATOM 65 CA PHE A 23 -10.162 -9.384 -0.912 1.00 0.00 C ATOM 66 C PHE A 23 -9.141 -10.039 -1.858 1.00 0.00 C ATOM 67 O PHE A 23 -9.036 -11.268 -1.914 1.00 0.00 O ATOM 68 CB PHE A 23 -9.591 -8.210 -0.094 1.00 0.00 C ATOM 69 CG PHE A 23 -10.602 -7.197 0.433 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.871 -7.592 0.900 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.281 -5.825 0.432 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.843 -6.635 1.224 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.234 -4.868 0.821 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.529 -5.267 1.188 1.00 0.00 C ATOM 0 H PHE A 23 -11.761 -10.508 -0.233 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.934 -8.944 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.043 -8.619 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.868 -7.680 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.097 -8.642 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.294 -5.506 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.837 -6.951 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.969 -3.821 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.276 -4.529 1.440 1.00 0.00 H new ATOM 84 N THR A 24 -8.413 -9.227 -2.620 1.00 0.00 N ATOM 85 CA THR A 24 -7.204 -9.605 -3.332 1.00 0.00 C ATOM 86 C THR A 24 -6.104 -8.619 -2.935 1.00 0.00 C ATOM 87 O THR A 24 -6.365 -7.452 -2.637 1.00 0.00 O ATOM 88 CB THR A 24 -7.463 -9.648 -4.850 1.00 0.00 C ATOM 89 OG1 THR A 24 -8.332 -8.619 -5.272 1.00 0.00 O ATOM 90 CG2 THR A 24 -8.083 -10.989 -5.230 1.00 0.00 C ATOM 0 H THR A 24 -8.663 -8.248 -2.761 1.00 0.00 H new ATOM 0 HA THR A 24 -6.882 -10.611 -3.062 1.00 0.00 H new ATOM 0 HB THR A 24 -6.501 -9.510 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.468 -8.682 -6.241 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.264 -11.015 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.402 -11.795 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.027 -11.117 -4.700 1.00 0.00 H new ATOM 98 N ASP A 25 -4.853 -9.070 -2.924 1.00 0.00 N ATOM 99 CA ASP A 25 -3.706 -8.337 -2.368 1.00 0.00 C ATOM 100 C ASP A 25 -3.410 -7.072 -3.171 1.00 0.00 C ATOM 101 O ASP A 25 -2.920 -6.065 -2.657 1.00 0.00 O ATOM 102 CB ASP A 25 -2.494 -9.269 -2.325 1.00 0.00 C ATOM 103 CG ASP A 25 -2.812 -10.472 -1.434 1.00 0.00 C ATOM 104 OD1 ASP A 25 -3.398 -11.434 -1.992 1.00 0.00 O ATOM 105 OD2 ASP A 25 -2.692 -10.379 -0.190 1.00 0.00 O ATOM 0 H ASP A 25 -4.596 -9.978 -3.310 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.944 -8.014 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.242 -9.604 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.625 -8.736 -1.940 1.00 0.00 H new ATOM 110 N GLN A 26 -3.836 -7.085 -4.430 1.00 0.00 N ATOM 111 CA GLN A 26 -3.870 -5.970 -5.358 1.00 0.00 C ATOM 112 C GLN A 26 -4.691 -4.817 -4.757 1.00 0.00 C ATOM 113 O GLN A 26 -4.222 -3.681 -4.717 1.00 0.00 O ATOM 114 CB GLN A 26 -4.520 -6.457 -6.660 1.00 0.00 C ATOM 115 CG GLN A 26 -3.930 -7.750 -7.260 1.00 0.00 C ATOM 116 CD GLN A 26 -5.025 -8.628 -7.884 1.00 0.00 C ATOM 117 OE1 GLN A 26 -5.157 -9.813 -7.580 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.882 -8.059 -8.723 1.00 0.00 N ATOM 0 H GLN A 26 -4.192 -7.941 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.861 -5.607 -5.554 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.583 -6.616 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.440 -5.664 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.189 -7.496 -8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.411 -8.310 -6.482 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.773 -7.077 -8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.650 -8.604 -9.115 1.00 0.00 H new ATOM 127 N GLN A 27 -5.889 -5.119 -4.251 1.00 0.00 N ATOM 128 CA GLN A 27 -6.826 -4.172 -3.657 1.00 0.00 C ATOM 129 C GLN A 27 -6.272 -3.613 -2.340 1.00 0.00 C ATOM 130 O GLN A 27 -6.494 -2.452 -2.000 1.00 0.00 O ATOM 131 CB GLN A 27 -8.176 -4.880 -3.415 1.00 0.00 C ATOM 132 CG GLN A 27 -8.806 -5.598 -4.634 1.00 0.00 C ATOM 133 CD GLN A 27 -9.775 -4.754 -5.467 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.678 -4.125 -4.923 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.667 -4.779 -6.785 1.00 0.00 N ATOM 0 H GLN A 27 -6.245 -6.075 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.971 -3.336 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.039 -5.613 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.888 -4.141 -3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.003 -5.946 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.335 -6.483 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.912 -5.305 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.339 -4.272 -7.361 1.00 0.00 H new ATOM 144 N ILE A 28 -5.568 -4.453 -1.580 1.00 0.00 N ATOM 145 CA ILE A 28 -5.109 -4.142 -0.232 1.00 0.00 C ATOM 146 C ILE A 28 -4.013 -3.086 -0.258 1.00 0.00 C ATOM 147 O ILE A 28 -4.045 -2.193 0.580 1.00 0.00 O ATOM 148 CB ILE A 28 -4.653 -5.431 0.480 1.00 0.00 C ATOM 149 CG1 ILE A 28 -5.877 -6.354 0.619 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.050 -5.153 1.871 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.527 -7.737 1.152 1.00 0.00 C ATOM 0 H ILE A 28 -5.297 -5.385 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.938 -3.721 0.336 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.869 -5.898 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.602 -5.887 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.358 -6.457 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.745 -6.093 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.182 -4.501 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.796 -4.667 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.433 -8.338 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.825 -8.221 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.072 -7.643 2.138 1.00 0.00 H new ATOM 163 N GLY A 29 -3.050 -3.174 -1.177 1.00 0.00 N ATOM 164 CA GLY A 29 -1.930 -2.240 -1.192 1.00 0.00 C ATOM 165 C GLY A 29 -2.374 -0.818 -1.489 1.00 0.00 C ATOM 166 O GLY A 29 -1.769 0.119 -0.970 1.00 0.00 O ATOM 0 H GLY A 29 -3.025 -3.878 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.424 -2.267 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.205 -2.557 -1.942 1.00 0.00 H new ATOM 170 N VAL A 30 -3.455 -0.662 -2.259 1.00 0.00 N ATOM 171 CA VAL A 30 -4.091 0.624 -2.476 1.00 0.00 C ATOM 172 C VAL A 30 -4.603 1.133 -1.133 1.00 0.00 C ATOM 173 O VAL A 30 -4.202 2.204 -0.699 1.00 0.00 O ATOM 174 CB VAL A 30 -5.177 0.503 -3.565 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.986 1.791 -3.752 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.533 0.130 -4.911 1.00 0.00 C ATOM 0 H VAL A 30 -3.909 -1.433 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.386 1.363 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.862 -0.276 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.733 1.641 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.484 2.047 -2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.317 2.602 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.307 0.047 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.820 0.903 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.015 -0.824 -4.814 1.00 0.00 H new ATOM 186 N LEU A 31 -5.447 0.357 -0.451 1.00 0.00 N ATOM 187 CA LEU A 31 -6.013 0.719 0.846 1.00 0.00 C ATOM 188 C LEU A 31 -4.926 1.021 1.889 1.00 0.00 C ATOM 189 O LEU A 31 -5.091 1.946 2.677 1.00 0.00 O ATOM 190 CB LEU A 31 -6.946 -0.415 1.311 1.00 0.00 C ATOM 191 CG LEU A 31 -8.451 -0.172 1.074 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.802 0.359 -0.320 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.224 -1.483 1.266 1.00 0.00 C ATOM 0 H LEU A 31 -5.760 -0.553 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.585 1.640 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.658 -1.333 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.785 -0.581 2.376 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.730 0.593 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.880 0.499 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.300 1.312 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.476 -0.357 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.286 -1.307 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.862 -2.226 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.073 -1.849 2.282 1.00 0.00 H new ATOM 205 N ALA A 32 -3.836 0.253 1.925 1.00 0.00 N ATOM 206 CA ALA A 32 -2.729 0.476 2.848 1.00 0.00 C ATOM 207 C ALA A 32 -1.955 1.747 2.483 1.00 0.00 C ATOM 208 O ALA A 32 -1.640 2.544 3.363 1.00 0.00 O ATOM 209 CB ALA A 32 -1.804 -0.745 2.857 1.00 0.00 C ATOM 0 H ALA A 32 -3.698 -0.547 1.308 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.134 0.616 3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.979 -0.572 3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.365 -1.624 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.409 -0.909 1.855 1.00 0.00 H new ATOM 215 N GLY A 33 -1.657 1.962 1.201 1.00 0.00 N ATOM 216 CA GLY A 33 -0.913 3.131 0.755 1.00 0.00 C ATOM 217 C GLY A 33 -1.773 4.398 0.820 1.00 0.00 C ATOM 218 O GLY A 33 -1.252 5.496 0.961 1.00 0.00 O ATOM 0 H GLY A 33 -1.926 1.330 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.026 3.259 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.567 2.976 -0.267 1.00 0.00 H new ATOM 222 N LEU A 34 -3.102 4.280 0.814 1.00 0.00 N ATOM 223 CA LEU A 34 -3.999 5.404 1.072 1.00 0.00 C ATOM 224 C LEU A 34 -3.880 5.918 2.508 1.00 0.00 C ATOM 225 O LEU A 34 -4.216 7.069 2.782 1.00 0.00 O ATOM 226 CB LEU A 34 -5.450 5.010 0.747 1.00 0.00 C ATOM 227 CG LEU A 34 -5.937 5.657 -0.555 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.135 5.254 -1.797 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.408 5.297 -0.787 1.00 0.00 C ATOM 0 H LEU A 34 -3.585 3.401 0.630 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.700 6.223 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.522 3.926 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.101 5.310 1.568 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.798 6.730 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.545 5.756 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.093 5.545 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.196 4.175 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.754 5.757 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.510 4.214 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.008 5.663 0.046 1.00 0.00 H new ATOM 241 N ALA A 35 -3.397 5.083 3.428 1.00 0.00 N ATOM 242 CA ALA A 35 -3.098 5.470 4.804 1.00 0.00 C ATOM 243 C ALA A 35 -1.692 6.065 4.970 1.00 0.00 C ATOM 244 O ALA A 35 -1.445 6.690 6.001 1.00 0.00 O ATOM 245 CB ALA A 35 -3.268 4.258 5.732 1.00 0.00 C ATOM 0 H ALA A 35 -3.200 4.101 3.233 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.804 6.255 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.044 4.551 6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.295 3.896 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.586 3.465 5.424 1.00 0.00 H new ATOM 251 N ILE A 36 -0.772 5.846 4.024 1.00 0.00 N ATOM 252 CA ILE A 36 0.618 6.284 4.081 1.00 0.00 C ATOM 253 C ILE A 36 0.938 6.934 2.726 1.00 0.00 C ATOM 254 O ILE A 36 1.330 6.262 1.776 1.00 0.00 O ATOM 255 CB ILE A 36 1.573 5.122 4.481 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.511 4.762 5.990 1.00 0.00 C ATOM 257 CG2 ILE A 36 3.051 5.487 4.231 1.00 0.00 C ATOM 258 CD1 ILE A 36 0.353 3.872 6.428 1.00 0.00 C ATOM 0 H ILE A 36 -0.989 5.339 3.166 1.00 0.00 H new ATOM 0 HA ILE A 36 0.773 7.023 4.867 1.00 0.00 H new ATOM 0 HB ILE A 36 1.235 4.287 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.444 4.267 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.464 5.689 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.687 4.651 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.198 5.703 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.314 6.365 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.418 3.691 7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.592 4.366 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.403 2.922 5.896 1.00 0.00 H new ATOM 270 N SER A 37 0.810 8.256 2.655 1.00 0.00 N ATOM 271 CA SER A 37 0.953 9.082 1.463 1.00 0.00 C ATOM 272 C SER A 37 -0.052 8.680 0.366 1.00 0.00 C ATOM 273 O SER A 37 0.335 8.196 -0.704 1.00 0.00 O ATOM 274 CB SER A 37 2.419 9.139 1.005 1.00 0.00 C ATOM 275 OG SER A 37 2.697 10.425 0.474 1.00 0.00 O ATOM 0 H SER A 37 0.590 8.812 3.481 1.00 0.00 H new ATOM 0 HA SER A 37 0.688 10.110 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.082 8.929 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.606 8.374 0.251 1.00 0.00 H new ATOM 0 HG SER A 37 3.632 10.464 0.183 1.00 0.00 H new ATOM 281 N PRO A 38 -1.357 8.962 0.571 1.00 0.00 N ATOM 282 CA PRO A 38 -2.370 8.743 -0.455 1.00 0.00 C ATOM 283 C PRO A 38 -2.018 9.508 -1.729 1.00 0.00 C ATOM 284 O PRO A 38 -2.086 8.949 -2.820 1.00 0.00 O ATOM 285 CB PRO A 38 -3.703 9.211 0.147 1.00 0.00 C ATOM 286 CG PRO A 38 -3.303 10.125 1.302 1.00 0.00 C ATOM 287 CD PRO A 38 -1.962 9.555 1.759 1.00 0.00 C ATOM 0 HA PRO A 38 -2.433 7.693 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.306 9.743 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.298 8.367 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.209 11.162 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.041 10.106 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.325 10.337 2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.100 8.809 2.541 1.00 0.00 H new ATOM 295 N GLU A 39 -1.617 10.776 -1.599 1.00 0.00 N ATOM 296 CA GLU A 39 -1.268 11.631 -2.725 1.00 0.00 C ATOM 297 C GLU A 39 -0.167 11.020 -3.591 1.00 0.00 C ATOM 298 O GLU A 39 -0.312 11.016 -4.810 1.00 0.00 O ATOM 299 CB GLU A 39 -0.855 13.019 -2.226 1.00 0.00 C ATOM 300 CG GLU A 39 -1.991 14.039 -2.310 1.00 0.00 C ATOM 301 CD GLU A 39 -3.153 13.774 -1.353 1.00 0.00 C ATOM 302 OE1 GLU A 39 -3.010 14.083 -0.150 1.00 0.00 O ATOM 303 OE2 GLU A 39 -4.256 13.403 -1.823 1.00 0.00 O ATOM 0 H GLU A 39 -1.526 11.239 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.154 11.726 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.516 12.943 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.009 13.375 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.588 15.031 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.374 14.055 -3.331 1.00 0.00 H new ATOM 310 N TRP A 40 0.913 10.500 -2.997 1.00 0.00 N ATOM 311 CA TRP A 40 1.991 9.884 -3.764 1.00 0.00 C ATOM 312 C TRP A 40 1.427 8.749 -4.619 1.00 0.00 C ATOM 313 O TRP A 40 1.663 8.718 -5.828 1.00 0.00 O ATOM 314 CB TRP A 40 3.100 9.405 -2.821 1.00 0.00 C ATOM 315 CG TRP A 40 4.155 8.539 -3.434 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.280 8.959 -4.051 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.179 7.089 -3.522 1.00 0.00 C ATOM 318 NE1 TRP A 40 6.051 7.871 -4.412 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.382 6.693 -4.178 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.304 6.071 -3.093 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.693 5.348 -4.409 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.578 4.721 -3.370 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.776 4.361 -4.015 1.00 0.00 C ATOM 0 H TRP A 40 1.060 10.496 -1.988 1.00 0.00 H new ATOM 0 HA TRP A 40 2.436 10.617 -4.437 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.584 10.280 -2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.639 8.856 -2.000 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.539 9.991 -4.235 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.992 7.933 -4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.411 6.332 -2.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.624 5.074 -4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.868 3.958 -3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.991 3.320 -4.208 1.00 0.00 H new ATOM 334 N LEU A 41 0.638 7.849 -4.022 1.00 0.00 N ATOM 335 CA LEU A 41 -0.003 6.755 -4.745 1.00 0.00 C ATOM 336 C LEU A 41 -0.824 7.321 -5.907 1.00 0.00 C ATOM 337 O LEU A 41 -0.567 6.988 -7.064 1.00 0.00 O ATOM 338 CB LEU A 41 -0.819 5.898 -3.758 1.00 0.00 C ATOM 339 CG LEU A 41 -1.632 4.751 -4.400 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.916 3.676 -3.352 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.990 5.184 -4.962 1.00 0.00 C ATOM 0 H LEU A 41 0.428 7.862 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 41 0.737 6.090 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.137 5.471 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.505 6.550 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.018 4.390 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.489 2.868 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.974 3.283 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.487 4.110 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.497 4.321 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.600 5.599 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.840 5.940 -5.732 1.00 0.00 H new ATOM 353 N LYS A 42 -1.785 8.199 -5.612 1.00 0.00 N ATOM 354 CA LYS A 42 -2.732 8.751 -6.583 1.00 0.00 C ATOM 355 C LYS A 42 -1.997 9.407 -7.752 1.00 0.00 C ATOM 356 O LYS A 42 -2.412 9.247 -8.901 1.00 0.00 O ATOM 357 CB LYS A 42 -3.646 9.761 -5.857 1.00 0.00 C ATOM 358 CG LYS A 42 -4.545 9.102 -4.789 1.00 0.00 C ATOM 359 CD LYS A 42 -4.910 10.038 -3.621 1.00 0.00 C ATOM 360 CE LYS A 42 -6.048 11.007 -3.939 1.00 0.00 C ATOM 361 NZ LYS A 42 -6.426 11.832 -2.766 1.00 0.00 N ATOM 0 H LYS A 42 -1.930 8.555 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.340 7.949 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.030 10.525 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.274 10.267 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.462 8.754 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.038 8.222 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.190 9.434 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.027 10.610 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.748 11.660 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.917 10.445 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.201 12.474 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.737 11.212 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.605 12.390 -2.455 1.00 0.00 H new ATOM 375 N GLN A 43 -0.901 10.120 -7.490 1.00 0.00 N ATOM 376 CA GLN A 43 -0.154 10.791 -8.537 1.00 0.00 C ATOM 377 C GLN A 43 0.513 9.786 -9.460 1.00 0.00 C ATOM 378 O GLN A 43 0.393 9.901 -10.680 1.00 0.00 O ATOM 379 CB GLN A 43 0.896 11.726 -7.937 1.00 0.00 C ATOM 380 CG GLN A 43 0.235 13.003 -7.413 1.00 0.00 C ATOM 381 CD GLN A 43 1.264 14.071 -7.101 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.154 15.202 -7.571 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.290 13.766 -6.324 1.00 0.00 N ATOM 0 H GLN A 43 -0.515 10.244 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.859 11.382 -9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.421 11.221 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.642 11.978 -8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.470 13.380 -8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.339 12.775 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.375 12.826 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.996 14.471 -6.111 1.00 0.00 H new ATOM 392 N ASN A 44 1.199 8.795 -8.893 1.00 0.00 N ATOM 393 CA ASN A 44 1.944 7.828 -9.687 1.00 0.00 C ATOM 394 C ASN A 44 0.993 6.964 -10.528 1.00 0.00 C ATOM 395 O ASN A 44 1.377 6.545 -11.619 1.00 0.00 O ATOM 396 CB ASN A 44 2.827 6.962 -8.784 1.00 0.00 C ATOM 397 CG ASN A 44 4.091 7.663 -8.301 1.00 0.00 C ATOM 398 OD1 ASN A 44 5.115 7.638 -8.972 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.077 8.249 -7.120 1.00 0.00 N ATOM 0 H ASN A 44 1.252 8.643 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 44 2.593 8.371 -10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.245 6.646 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.108 6.059 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.924 8.687 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.219 8.265 -6.569 1.00 0.00 H new ATOM 406 N ILE A 45 -0.252 6.718 -10.084 1.00 0.00 N ATOM 407 CA ILE A 45 -1.285 6.096 -10.921 1.00 0.00 C ATOM 408 C ILE A 45 -1.627 7.020 -12.094 1.00 0.00 C ATOM 409 O ILE A 45 -1.711 6.566 -13.236 1.00 0.00 O ATOM 410 CB ILE A 45 -2.550 5.759 -10.097 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.276 4.749 -8.964 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.689 5.246 -10.998 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.852 3.349 -9.406 1.00 0.00 C ATOM 0 H ILE A 45 -0.566 6.944 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.894 5.157 -11.312 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.861 6.694 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.497 5.157 -8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.177 4.660 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.562 5.019 -10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.947 6.012 -11.729 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.364 4.344 -11.517 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.687 2.725 -8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.636 2.909 -10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.930 3.414 -9.984 1.00 0.00 H new ATOM 425 N ALA A 46 -1.814 8.321 -11.856 1.00 0.00 N ATOM 426 CA ALA A 46 -2.074 9.275 -12.932 1.00 0.00 C ATOM 427 C ALA A 46 -0.877 9.439 -13.884 1.00 0.00 C ATOM 428 O ALA A 46 -1.033 10.036 -14.952 1.00 0.00 O ATOM 429 CB ALA A 46 -2.514 10.613 -12.341 1.00 0.00 C ATOM 0 H ALA A 46 -1.790 8.736 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.883 8.875 -13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.707 11.321 -13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.424 10.471 -11.757 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.726 11.003 -11.696 1.00 0.00 H new ATOM 435 N ALA A 47 0.295 8.895 -13.545 1.00 0.00 N ATOM 436 CA ALA A 47 1.463 8.801 -14.412 1.00 0.00 C ATOM 437 C ALA A 47 1.652 7.404 -15.012 1.00 0.00 C ATOM 438 O ALA A 47 2.540 7.222 -15.844 1.00 0.00 O ATOM 439 CB ALA A 47 2.699 9.254 -13.635 1.00 0.00 C ATOM 0 H ALA A 47 0.458 8.493 -12.622 1.00 0.00 H new ATOM 0 HA ALA A 47 1.306 9.461 -15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.577 9.187 -14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.566 10.286 -13.309 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.836 8.613 -12.764 1.00 0.00 H new ATOM 445 N ASN A 48 0.831 6.416 -14.631 1.00 0.00 N ATOM 446 CA ASN A 48 1.033 4.988 -14.911 1.00 0.00 C ATOM 447 C ASN A 48 2.490 4.579 -14.609 1.00 0.00 C ATOM 448 O ASN A 48 3.111 3.843 -15.372 1.00 0.00 O ATOM 449 CB ASN A 48 0.555 4.657 -16.340 1.00 0.00 C ATOM 450 CG ASN A 48 0.254 3.179 -16.606 1.00 0.00 C ATOM 451 OD1 ASN A 48 -0.889 2.805 -16.847 1.00 0.00 O ATOM 452 ND2 ASN A 48 1.253 2.319 -16.668 1.00 0.00 N ATOM 0 H ASN A 48 -0.022 6.595 -14.101 1.00 0.00 H new ATOM 0 HA ASN A 48 0.420 4.381 -14.245 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.345 5.237 -16.547 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.317 4.988 -17.046 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.074 1.346 -16.916 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.205 2.627 -16.468 1.00 0.00 H new ATOM 459 N GLN A 49 3.058 5.109 -13.518 1.00 0.00 N ATOM 460 CA GLN A 49 4.447 4.892 -13.094 1.00 0.00 C ATOM 461 C GLN A 49 4.549 3.948 -11.891 1.00 0.00 C ATOM 462 O GLN A 49 5.647 3.524 -11.530 1.00 0.00 O ATOM 463 CB GLN A 49 5.096 6.239 -12.711 1.00 0.00 C ATOM 464 CG GLN A 49 5.626 7.046 -13.904 1.00 0.00 C ATOM 465 CD GLN A 49 7.106 6.764 -14.156 1.00 0.00 C ATOM 466 OE1 GLN A 49 7.949 7.656 -14.080 1.00 0.00 O ATOM 467 NE2 GLN A 49 7.481 5.522 -14.397 1.00 0.00 N ATOM 0 H GLN A 49 2.545 5.722 -12.884 1.00 0.00 H new ATOM 0 HA GLN A 49 4.966 4.434 -13.936 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.363 6.843 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.918 6.050 -12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.050 6.800 -14.796 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.484 8.110 -13.717 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.782 4.781 -14.460 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.469 5.302 -14.520 1.00 0.00 H new ATOM 476 N LEU A 50 3.431 3.672 -11.221 1.00 0.00 N ATOM 477 CA LEU A 50 3.400 3.006 -9.922 1.00 0.00 C ATOM 478 C LEU A 50 3.442 1.494 -10.139 1.00 0.00 C ATOM 479 O LEU A 50 2.683 0.983 -10.970 1.00 0.00 O ATOM 480 CB LEU A 50 2.127 3.402 -9.147 1.00 0.00 C ATOM 481 CG LEU A 50 2.348 3.678 -7.642 1.00 0.00 C ATOM 482 CD1 LEU A 50 0.994 3.770 -6.945 1.00 0.00 C ATOM 483 CD2 LEU A 50 3.222 2.686 -6.890 1.00 0.00 C ATOM 0 H LEU A 50 2.504 3.910 -11.574 1.00 0.00 H new ATOM 0 HA LEU A 50 4.264 3.314 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.700 4.293 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.391 2.605 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 50 2.903 4.616 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.144 3.965 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.413 4.581 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.456 2.830 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.300 2.989 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.777 1.693 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.216 2.665 -7.337 1.00 0.00 H new ATOM 495 N VAL A 51 4.273 0.781 -9.379 1.00 0.00 N ATOM 496 CA VAL A 51 4.476 -0.661 -9.461 1.00 0.00 C ATOM 497 C VAL A 51 4.045 -1.311 -8.131 1.00 0.00 C ATOM 498 O VAL A 51 3.813 -0.643 -7.120 1.00 0.00 O ATOM 499 CB VAL A 51 5.948 -0.934 -9.871 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.281 -2.430 -10.020 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.284 -0.248 -11.212 1.00 0.00 C ATOM 0 H VAL A 51 4.848 1.215 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 51 3.854 -1.120 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 51 6.546 -0.526 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.326 -2.543 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.109 -2.937 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.644 -2.870 -10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.321 -0.455 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.627 -0.632 -11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.142 0.828 -11.116 1.00 0.00 H new ATOM 511 N TYR A 52 3.872 -2.627 -8.148 1.00 0.00 N ATOM 512 CA TYR A 52 3.462 -3.524 -7.079 1.00 0.00 C ATOM 513 C TYR A 52 4.270 -4.782 -7.352 1.00 0.00 C ATOM 514 O TYR A 52 4.027 -5.428 -8.371 1.00 0.00 O ATOM 515 CB TYR A 52 1.942 -3.759 -7.202 1.00 0.00 C ATOM 516 CG TYR A 52 1.336 -5.035 -6.644 1.00 0.00 C ATOM 517 CD1 TYR A 52 0.928 -5.138 -5.303 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.184 -6.143 -7.497 1.00 0.00 C ATOM 519 CE1 TYR A 52 0.428 -6.354 -4.803 1.00 0.00 C ATOM 520 CE2 TYR A 52 0.714 -7.365 -7.002 1.00 0.00 C ATOM 521 CZ TYR A 52 0.289 -7.465 -5.659 1.00 0.00 C ATOM 522 OH TYR A 52 -0.167 -8.641 -5.164 1.00 0.00 O ATOM 0 H TYR A 52 4.035 -3.148 -9.010 1.00 0.00 H new ATOM 0 HA TYR A 52 3.636 -3.155 -6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.441 -2.921 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.689 -3.713 -8.261 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.999 -4.279 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.432 -6.050 -8.544 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.150 -6.436 -3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.676 -8.231 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.206 -9.306 -5.883 1.00 0.00 H new ATOM 532 N GLY A 53 5.247 -5.111 -6.512 1.00 0.00 N ATOM 533 CA GLY A 53 5.919 -6.400 -6.608 1.00 0.00 C ATOM 534 C GLY A 53 6.215 -6.949 -5.224 1.00 0.00 C ATOM 535 O GLY A 53 6.015 -6.259 -4.219 1.00 0.00 O ATOM 0 H GLY A 53 5.588 -4.508 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.294 -7.103 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.847 -6.292 -7.169 1.00 0.00 H new ATOM 539 N ILE A 54 6.655 -8.203 -5.167 1.00 0.00 N ATOM 540 CA ILE A 54 6.894 -8.902 -3.912 1.00 0.00 C ATOM 541 C ILE A 54 8.389 -8.862 -3.621 1.00 0.00 C ATOM 542 O ILE A 54 9.216 -8.949 -4.531 1.00 0.00 O ATOM 543 CB ILE A 54 6.306 -10.330 -3.975 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.766 -10.313 -4.133 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.685 -11.165 -2.743 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.007 -9.625 -2.993 1.00 0.00 C ATOM 0 H ILE A 54 6.856 -8.764 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 54 6.384 -8.414 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 54 6.744 -10.796 -4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.517 -9.813 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.413 -11.341 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.250 -12.161 -2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.770 -11.247 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.304 -10.681 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.936 -9.664 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.219 -10.136 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.325 -8.585 -2.920 1.00 0.00 H new ATOM 558 N VAL A 55 8.712 -8.731 -2.334 1.00 0.00 N ATOM 559 CA VAL A 55 10.065 -8.782 -1.805 1.00 0.00 C ATOM 560 C VAL A 55 10.809 -10.024 -2.288 1.00 0.00 C ATOM 561 O VAL A 55 11.831 -9.880 -2.953 1.00 0.00 O ATOM 562 CB VAL A 55 9.995 -8.659 -0.273 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.305 -9.090 0.394 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.669 -7.197 0.084 1.00 0.00 C ATOM 0 H VAL A 55 8.010 -8.581 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 55 10.651 -7.944 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 55 9.216 -9.324 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.213 -8.988 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.516 -10.130 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.119 -8.459 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.615 -7.090 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.450 -6.544 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.711 -6.920 -0.356 1.00 0.00 H new ATOM 574 N LYS A 56 10.300 -11.221 -1.967 1.00 0.00 N ATOM 575 CA LYS A 56 10.879 -12.508 -2.329 1.00 0.00 C ATOM 576 C LYS A 56 12.297 -12.729 -1.781 1.00 0.00 C ATOM 577 O LYS A 56 12.974 -11.808 -1.322 1.00 0.00 O ATOM 578 CB LYS A 56 10.771 -12.686 -3.861 1.00 0.00 C ATOM 579 CG LYS A 56 9.381 -13.204 -4.271 1.00 0.00 C ATOM 580 CD LYS A 56 9.535 -14.430 -5.163 1.00 0.00 C ATOM 581 CE LYS A 56 8.234 -15.211 -5.291 1.00 0.00 C ATOM 582 NZ LYS A 56 8.488 -16.473 -6.004 1.00 0.00 N ATOM 0 H LYS A 56 9.440 -11.316 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 56 10.304 -13.296 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.966 -11.733 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.536 -13.384 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.800 -13.458 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.832 -12.424 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.869 -14.118 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.309 -15.080 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.821 -15.416 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.494 -14.619 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.600 -17.007 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.863 -16.267 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.181 -17.038 -5.473 1.00 0.00 H new ATOM 596 N PRO A 57 12.793 -13.980 -1.809 1.00 0.00 N ATOM 597 CA PRO A 57 14.192 -14.261 -1.504 1.00 0.00 C ATOM 598 C PRO A 57 15.158 -13.624 -2.511 1.00 0.00 C ATOM 599 O PRO A 57 16.319 -13.400 -2.180 1.00 0.00 O ATOM 600 CB PRO A 57 14.306 -15.790 -1.519 1.00 0.00 C ATOM 601 CG PRO A 57 13.138 -16.256 -2.381 1.00 0.00 C ATOM 602 CD PRO A 57 12.070 -15.217 -2.072 1.00 0.00 C ATOM 0 HA PRO A 57 14.472 -13.833 -0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.260 -16.112 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.244 -16.202 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.395 -16.272 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.814 -17.263 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.383 -15.099 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.473 -15.513 -1.210 1.00 0.00 H new ATOM 610 N SER A 58 14.713 -13.380 -3.743 1.00 0.00 N ATOM 611 CA SER A 58 15.578 -13.086 -4.879 1.00 0.00 C ATOM 612 C SER A 58 15.954 -11.608 -5.045 1.00 0.00 C ATOM 613 O SER A 58 16.653 -11.295 -6.013 1.00 0.00 O ATOM 614 CB SER A 58 14.901 -13.626 -6.145 1.00 0.00 C ATOM 615 OG SER A 58 14.624 -15.015 -5.995 1.00 0.00 O ATOM 0 H SER A 58 13.721 -13.382 -3.981 1.00 0.00 H new ATOM 0 HA SER A 58 16.531 -13.581 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.976 -13.081 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.547 -13.467 -7.009 1.00 0.00 H new ATOM 0 HG SER A 58 14.190 -15.352 -6.807 1.00 0.00 H new ATOM 621 N ASP A 59 15.534 -10.714 -4.147 1.00 0.00 N ATOM 622 CA ASP A 59 15.669 -9.264 -4.328 1.00 0.00 C ATOM 623 C ASP A 59 16.407 -8.640 -3.139 1.00 0.00 C ATOM 624 O ASP A 59 16.479 -9.257 -2.072 1.00 0.00 O ATOM 625 CB ASP A 59 14.273 -8.654 -4.501 1.00 0.00 C ATOM 626 CG ASP A 59 14.215 -7.586 -5.580 1.00 0.00 C ATOM 627 OD1 ASP A 59 14.652 -6.440 -5.317 1.00 0.00 O ATOM 628 OD2 ASP A 59 13.615 -7.873 -6.642 1.00 0.00 O ATOM 0 H ASP A 59 15.088 -10.976 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 59 16.260 -9.056 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.565 -9.446 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.953 -8.221 -3.553 1.00 0.00 H new ATOM 633 N THR A 60 16.959 -7.433 -3.298 1.00 0.00 N ATOM 634 CA THR A 60 17.737 -6.754 -2.261 1.00 0.00 C ATOM 635 C THR A 60 16.792 -5.916 -1.393 1.00 0.00 C ATOM 636 O THR A 60 16.202 -4.950 -1.879 1.00 0.00 O ATOM 637 CB THR A 60 18.807 -5.862 -2.913 1.00 0.00 C ATOM 638 OG1 THR A 60 19.666 -6.598 -3.764 1.00 0.00 O ATOM 639 CG2 THR A 60 19.688 -5.212 -1.849 1.00 0.00 C ATOM 0 H THR A 60 16.876 -6.895 -4.161 1.00 0.00 H new ATOM 0 HA THR A 60 18.239 -7.490 -1.633 1.00 0.00 H new ATOM 0 HB THR A 60 18.265 -5.113 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.330 -5.995 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.438 -4.585 -2.331 1.00 0.00 H new ATOM 0 HG22 THR A 60 19.072 -4.599 -1.191 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.184 -5.987 -1.264 1.00 0.00 H new ATOM 647 N VAL A 61 16.641 -6.248 -0.111 1.00 0.00 N ATOM 648 CA VAL A 61 15.610 -5.643 0.728 1.00 0.00 C ATOM 649 C VAL A 61 16.089 -5.409 2.167 1.00 0.00 C ATOM 650 O VAL A 61 17.126 -5.942 2.581 1.00 0.00 O ATOM 651 CB VAL A 61 14.349 -6.529 0.686 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.627 -6.365 -0.663 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.682 -7.991 0.990 1.00 0.00 C ATOM 0 H VAL A 61 17.222 -6.935 0.369 1.00 0.00 H new ATOM 0 HA VAL A 61 15.374 -4.656 0.331 1.00 0.00 H new ATOM 0 HB VAL A 61 13.667 -6.199 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.738 -6.996 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.335 -5.323 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.296 -6.659 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.770 -8.587 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.391 -8.364 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.123 -8.065 1.984 1.00 0.00 H new ATOM 663 N PRO A 62 15.350 -4.593 2.939 1.00 0.00 N ATOM 664 CA PRO A 62 15.542 -4.468 4.377 1.00 0.00 C ATOM 665 C PRO A 62 15.170 -5.763 5.108 1.00 0.00 C ATOM 666 O PRO A 62 14.474 -6.626 4.574 1.00 0.00 O ATOM 667 CB PRO A 62 14.661 -3.294 4.806 1.00 0.00 C ATOM 668 CG PRO A 62 13.609 -3.179 3.708 1.00 0.00 C ATOM 669 CD PRO A 62 14.308 -3.692 2.467 1.00 0.00 C ATOM 0 HA PRO A 62 16.587 -4.289 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.201 -3.478 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.241 -2.376 4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.725 -3.772 3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.277 -2.148 3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.609 -4.212 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.734 -2.870 1.891 1.00 0.00 H new ATOM 677 N ALA A 63 15.589 -5.878 6.369 1.00 0.00 N ATOM 678 CA ALA A 63 15.223 -6.998 7.220 1.00 0.00 C ATOM 679 C ALA A 63 13.736 -6.950 7.559 1.00 0.00 C ATOM 680 O ALA A 63 13.230 -5.898 7.968 1.00 0.00 O ATOM 681 CB ALA A 63 16.037 -6.956 8.518 1.00 0.00 C ATOM 0 H ALA A 63 16.192 -5.193 6.824 1.00 0.00 H new ATOM 0 HA ALA A 63 15.436 -7.921 6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.757 -7.798 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.100 -7.016 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.834 -6.024 9.045 1.00 0.00 H new ATOM 687 N GLY A 64 13.070 -8.106 7.526 1.00 0.00 N ATOM 688 CA GLY A 64 11.783 -8.298 8.183 1.00 0.00 C ATOM 689 C GLY A 64 10.571 -8.138 7.273 1.00 0.00 C ATOM 690 O GLY A 64 9.504 -7.763 7.766 1.00 0.00 O ATOM 0 H GLY A 64 13.412 -8.935 7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.761 -9.295 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.700 -7.586 9.004 1.00 0.00 H new ATOM 694 N VAL A 65 10.733 -8.355 5.967 1.00 0.00 N ATOM 695 CA VAL A 65 9.704 -8.128 4.957 1.00 0.00 C ATOM 696 C VAL A 65 9.659 -9.292 3.947 1.00 0.00 C ATOM 697 O VAL A 65 9.315 -9.075 2.795 1.00 0.00 O ATOM 698 CB VAL A 65 9.906 -6.734 4.296 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.509 -5.589 5.239 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.340 -6.481 3.807 1.00 0.00 C ATOM 0 H VAL A 65 11.608 -8.703 5.574 1.00 0.00 H new ATOM 0 HA VAL A 65 8.722 -8.110 5.430 1.00 0.00 H new ATOM 0 HB VAL A 65 9.248 -6.751 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.666 -4.634 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.458 -5.689 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.121 -5.631 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.402 -5.490 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.028 -6.541 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.609 -7.232 3.065 1.00 0.00 H new ATOM 710 N ASP A 66 10.009 -10.525 4.342 1.00 0.00 N ATOM 711 CA ASP A 66 10.555 -11.596 3.472 1.00 0.00 C ATOM 712 C ASP A 66 9.703 -12.043 2.274 1.00 0.00 C ATOM 713 O ASP A 66 10.207 -12.623 1.315 1.00 0.00 O ATOM 714 CB ASP A 66 10.825 -12.806 4.382 1.00 0.00 C ATOM 715 CG ASP A 66 11.783 -13.846 3.814 1.00 0.00 C ATOM 716 OD1 ASP A 66 11.363 -14.724 3.037 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.942 -13.897 4.288 1.00 0.00 O ATOM 0 H ASP A 66 9.919 -10.823 5.313 1.00 0.00 H new ATOM 0 HA ASP A 66 11.442 -11.173 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.226 -12.445 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.875 -13.293 4.603 1.00 0.00 H new ATOM 722 N ASP A 67 8.428 -11.688 2.298 1.00 0.00 N ATOM 723 CA ASP A 67 7.434 -11.855 1.230 1.00 0.00 C ATOM 724 C ASP A 67 6.325 -10.830 1.421 1.00 0.00 C ATOM 725 O ASP A 67 5.160 -11.095 1.154 1.00 0.00 O ATOM 726 CB ASP A 67 6.889 -13.294 1.197 1.00 0.00 C ATOM 727 CG ASP A 67 6.357 -13.625 -0.198 1.00 0.00 C ATOM 728 OD1 ASP A 67 7.207 -13.847 -1.092 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.126 -13.694 -0.394 1.00 0.00 O ATOM 0 H ASP A 67 8.023 -11.242 3.121 1.00 0.00 H new ATOM 0 HA ASP A 67 7.906 -11.683 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.677 -13.996 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.094 -13.406 1.934 1.00 0.00 H new ATOM 734 N TYR A 68 6.667 -9.655 1.945 1.00 0.00 N ATOM 735 CA TYR A 68 5.762 -8.518 1.937 1.00 0.00 C ATOM 736 C TYR A 68 5.633 -8.061 0.489 1.00 0.00 C ATOM 737 O TYR A 68 6.534 -8.252 -0.339 1.00 0.00 O ATOM 738 CB TYR A 68 6.308 -7.381 2.809 1.00 0.00 C ATOM 739 CG TYR A 68 6.103 -7.524 4.313 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.315 -8.753 4.975 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.651 -6.413 5.056 1.00 0.00 C ATOM 742 CE1 TYR A 68 6.082 -8.869 6.354 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.399 -6.526 6.433 1.00 0.00 C ATOM 744 CZ TYR A 68 5.621 -7.757 7.087 1.00 0.00 C ATOM 745 OH TYR A 68 5.373 -7.880 8.416 1.00 0.00 O ATOM 0 H TYR A 68 7.570 -9.469 2.382 1.00 0.00 H new ATOM 0 HA TYR A 68 4.791 -8.799 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.377 -7.286 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.842 -6.449 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.659 -9.610 4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.497 -5.466 4.561 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.256 -9.811 6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.037 -5.674 6.989 1.00 0.00 H new ATOM 0 HH TYR A 68 5.967 -8.560 8.798 1.00 0.00 H new ATOM 755 N SER A 69 4.526 -7.401 0.200 1.00 0.00 N ATOM 756 CA SER A 69 4.399 -6.562 -0.969 1.00 0.00 C ATOM 757 C SER A 69 5.160 -5.262 -0.705 1.00 0.00 C ATOM 758 O SER A 69 5.283 -4.833 0.448 1.00 0.00 O ATOM 759 CB SER A 69 2.908 -6.311 -1.233 1.00 0.00 C ATOM 760 OG SER A 69 2.083 -6.626 -0.119 1.00 0.00 O ATOM 0 H SER A 69 3.686 -7.435 0.777 1.00 0.00 H new ATOM 0 HA SER A 69 4.821 -7.036 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.764 -5.264 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.592 -6.905 -2.091 1.00 0.00 H new ATOM 0 HG SER A 69 1.515 -5.857 0.095 1.00 0.00 H new ATOM 766 N TYR A 70 5.625 -4.604 -1.763 1.00 0.00 N ATOM 767 CA TYR A 70 6.072 -3.224 -1.721 1.00 0.00 C ATOM 768 C TYR A 70 5.547 -2.474 -2.937 1.00 0.00 C ATOM 769 O TYR A 70 5.377 -3.048 -4.018 1.00 0.00 O ATOM 770 CB TYR A 70 7.601 -3.102 -1.637 1.00 0.00 C ATOM 771 CG TYR A 70 8.325 -3.544 -2.894 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.529 -4.914 -3.131 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.722 -2.603 -3.866 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.072 -5.347 -4.351 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.297 -3.037 -5.074 1.00 0.00 C ATOM 776 CZ TYR A 70 9.460 -4.412 -5.332 1.00 0.00 C ATOM 777 OH TYR A 70 9.977 -4.819 -6.523 1.00 0.00 O ATOM 0 H TYR A 70 5.701 -5.027 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 70 5.669 -2.778 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.861 -2.065 -1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.957 -3.698 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.267 -5.636 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.584 -1.548 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.193 -6.404 -4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.615 -2.312 -5.808 1.00 0.00 H new ATOM 0 HH TYR A 70 10.186 -4.036 -7.074 1.00 0.00 H new ATOM 787 N LEU A 71 5.318 -1.177 -2.745 1.00 0.00 N ATOM 788 CA LEU A 71 4.912 -0.231 -3.761 1.00 0.00 C ATOM 789 C LEU A 71 6.047 0.775 -3.885 1.00 0.00 C ATOM 790 O LEU A 71 6.460 1.362 -2.882 1.00 0.00 O ATOM 791 CB LEU A 71 3.605 0.490 -3.377 1.00 0.00 C ATOM 792 CG LEU A 71 2.398 -0.367 -2.946 1.00 0.00 C ATOM 793 CD1 LEU A 71 2.242 -1.689 -3.703 1.00 0.00 C ATOM 794 CD2 LEU A 71 2.312 -0.559 -1.432 1.00 0.00 C ATOM 0 H LEU A 71 5.418 -0.744 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 71 4.719 -0.745 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.832 1.179 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.296 1.095 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 71 1.536 0.230 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.367 -2.221 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.118 -1.487 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.131 -2.302 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.442 -1.170 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.214 -1.056 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.218 0.413 -0.947 1.00 0.00 H new ATOM 806 N VAL A 72 6.530 0.980 -5.104 1.00 0.00 N ATOM 807 CA VAL A 72 7.481 2.017 -5.499 1.00 0.00 C ATOM 808 C VAL A 72 7.083 2.425 -6.922 1.00 0.00 C ATOM 809 O VAL A 72 6.364 1.677 -7.593 1.00 0.00 O ATOM 810 CB VAL A 72 8.930 1.486 -5.364 1.00 0.00 C ATOM 811 CG1 VAL A 72 9.226 0.319 -6.314 1.00 0.00 C ATOM 812 CG2 VAL A 72 10.008 2.564 -5.558 1.00 0.00 C ATOM 0 H VAL A 72 6.253 0.393 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 72 7.453 2.899 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 72 8.981 1.135 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.255 -0.011 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.548 -0.507 -6.099 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.086 0.644 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.995 2.115 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.915 2.997 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.880 3.346 -4.809 1.00 0.00 H new ATOM 822 N ALA A 73 7.489 3.606 -7.386 1.00 0.00 N ATOM 823 CA ALA A 73 7.344 3.939 -8.797 1.00 0.00 C ATOM 824 C ALA A 73 8.559 3.401 -9.540 1.00 0.00 C ATOM 825 O ALA A 73 9.626 3.263 -8.937 1.00 0.00 O ATOM 826 CB ALA A 73 7.244 5.449 -8.985 1.00 0.00 C ATOM 0 H ALA A 73 7.914 4.336 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 73 6.431 3.491 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.136 5.677 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.377 5.827 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.147 5.924 -8.602 1.00 0.00 H new ATOM 832 N ALA A 74 8.446 3.219 -10.856 1.00 0.00 N ATOM 833 CA ALA A 74 9.560 2.697 -11.645 1.00 0.00 C ATOM 834 C ALA A 74 10.801 3.598 -11.590 1.00 0.00 C ATOM 835 O ALA A 74 11.908 3.138 -11.875 1.00 0.00 O ATOM 836 CB ALA A 74 9.116 2.473 -13.091 1.00 0.00 C ATOM 0 H ALA A 74 7.603 3.423 -11.393 1.00 0.00 H new ATOM 0 HA ALA A 74 9.851 1.744 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.952 2.084 -13.672 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.295 1.757 -13.113 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.784 3.418 -13.520 1.00 0.00 H new ATOM 842 N ASP A 75 10.625 4.861 -11.199 1.00 0.00 N ATOM 843 CA ASP A 75 11.645 5.906 -11.205 1.00 0.00 C ATOM 844 C ASP A 75 11.856 6.530 -9.819 1.00 0.00 C ATOM 845 O ASP A 75 12.570 7.522 -9.696 1.00 0.00 O ATOM 846 CB ASP A 75 11.280 6.977 -12.246 1.00 0.00 C ATOM 847 CG ASP A 75 12.525 7.567 -12.921 1.00 0.00 C ATOM 848 OD1 ASP A 75 13.621 7.607 -12.313 1.00 0.00 O ATOM 849 OD2 ASP A 75 12.453 7.864 -14.135 1.00 0.00 O ATOM 0 H ASP A 75 9.726 5.197 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 75 12.594 5.445 -11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.629 6.540 -13.003 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.716 7.775 -11.763 1.00 0.00 H new ATOM 854 N ASP A 76 11.240 5.977 -8.767 1.00 0.00 N ATOM 855 CA ASP A 76 11.264 6.544 -7.405 1.00 0.00 C ATOM 856 C ASP A 76 12.096 5.672 -6.457 1.00 0.00 C ATOM 857 O ASP A 76 11.926 5.699 -5.241 1.00 0.00 O ATOM 858 CB ASP A 76 9.826 6.754 -6.903 1.00 0.00 C ATOM 859 CG ASP A 76 9.707 7.778 -5.778 1.00 0.00 C ATOM 860 OD1 ASP A 76 10.295 8.877 -5.901 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.882 7.552 -4.866 1.00 0.00 O ATOM 0 H ASP A 76 10.703 5.112 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 76 11.752 7.518 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.203 7.073 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.430 5.800 -6.556 1.00 0.00 H new ATOM 866 N GLN A 77 12.982 4.862 -7.044 1.00 0.00 N ATOM 867 CA GLN A 77 13.727 3.757 -6.445 1.00 0.00 C ATOM 868 C GLN A 77 14.408 4.136 -5.131 1.00 0.00 C ATOM 869 O GLN A 77 14.385 3.353 -4.180 1.00 0.00 O ATOM 870 CB GLN A 77 14.803 3.287 -7.434 1.00 0.00 C ATOM 871 CG GLN A 77 14.252 2.627 -8.708 1.00 0.00 C ATOM 872 CD GLN A 77 15.188 2.879 -9.888 1.00 0.00 C ATOM 873 OE1 GLN A 77 16.406 2.740 -9.783 1.00 0.00 O ATOM 874 NE2 GLN A 77 14.645 3.317 -11.007 1.00 0.00 N ATOM 0 H GLN A 77 13.214 4.974 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 77 13.008 2.968 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.415 4.142 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.460 2.579 -6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.138 1.555 -8.549 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.261 3.023 -8.931 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.633 3.426 -11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.237 3.547 -11.805 1.00 0.00 H new ATOM 883 N ASP A 78 15.049 5.303 -5.086 1.00 0.00 N ATOM 884 CA ASP A 78 15.746 5.810 -3.899 1.00 0.00 C ATOM 885 C ASP A 78 14.943 6.905 -3.187 1.00 0.00 C ATOM 886 O ASP A 78 15.269 7.267 -2.055 1.00 0.00 O ATOM 887 CB ASP A 78 17.177 6.258 -4.243 1.00 0.00 C ATOM 888 CG ASP A 78 17.251 7.650 -4.867 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.187 7.729 -6.115 1.00 0.00 O ATOM 890 OD2 ASP A 78 17.403 8.640 -4.118 1.00 0.00 O ATOM 0 H ASP A 78 15.101 5.935 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 78 15.832 4.987 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.781 6.244 -3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.618 5.537 -4.931 1.00 0.00 H new ATOM 895 N GLY A 79 13.856 7.371 -3.805 1.00 0.00 N ATOM 896 CA GLY A 79 12.962 8.392 -3.292 1.00 0.00 C ATOM 897 C GLY A 79 12.092 7.824 -2.181 1.00 0.00 C ATOM 898 O GLY A 79 12.297 8.164 -1.007 1.00 0.00 O ATOM 0 H GLY A 79 13.568 7.025 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.541 9.235 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.333 8.772 -4.097 1.00 0.00 H new ATOM 902 N THR A 80 11.159 6.929 -2.514 1.00 0.00 N ATOM 903 CA THR A 80 10.127 6.465 -1.588 1.00 0.00 C ATOM 904 C THR A 80 9.860 4.968 -1.776 1.00 0.00 C ATOM 905 O THR A 80 10.221 4.386 -2.794 1.00 0.00 O ATOM 906 CB THR A 80 8.834 7.295 -1.746 1.00 0.00 C ATOM 907 OG1 THR A 80 9.018 8.527 -2.404 1.00 0.00 O ATOM 908 CG2 THR A 80 8.255 7.609 -0.364 1.00 0.00 C ATOM 0 H THR A 80 11.099 6.504 -3.439 1.00 0.00 H new ATOM 0 HA THR A 80 10.489 6.610 -0.570 1.00 0.00 H new ATOM 0 HB THR A 80 8.168 6.682 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.798 8.427 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.343 8.195 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.027 6.678 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.983 8.178 0.215 1.00 0.00 H new ATOM 916 N ILE A 81 9.237 4.325 -0.785 1.00 0.00 N ATOM 917 CA ILE A 81 8.739 2.956 -0.869 1.00 0.00 C ATOM 918 C ILE A 81 7.751 2.755 0.275 1.00 0.00 C ATOM 919 O ILE A 81 7.916 3.368 1.334 1.00 0.00 O ATOM 920 CB ILE A 81 9.910 1.940 -0.794 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.394 0.494 -0.945 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.728 2.073 0.511 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.470 -0.446 -1.498 1.00 0.00 C ATOM 0 H ILE A 81 9.062 4.757 0.122 1.00 0.00 H new ATOM 0 HA ILE A 81 8.240 2.787 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 81 10.576 2.174 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.056 0.127 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.529 0.485 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.534 1.339 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.150 3.076 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.077 1.898 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.062 -1.453 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.790 -0.095 -2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.324 -0.459 -0.821 1.00 0.00 H new ATOM 935 N ILE A 82 6.772 1.865 0.128 1.00 0.00 N ATOM 936 CA ILE A 82 5.924 1.407 1.226 1.00 0.00 C ATOM 937 C ILE A 82 5.867 -0.114 1.107 1.00 0.00 C ATOM 938 O ILE A 82 5.839 -0.632 -0.006 1.00 0.00 O ATOM 939 CB ILE A 82 4.515 2.062 1.159 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.562 3.600 0.992 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.689 1.691 2.412 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.268 4.191 0.431 1.00 0.00 C ATOM 0 H ILE A 82 6.543 1.436 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 82 6.327 1.698 2.196 1.00 0.00 H new ATOM 0 HB ILE A 82 4.034 1.664 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.772 4.057 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.388 3.861 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.705 2.157 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.575 0.608 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.203 2.046 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.371 5.272 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.068 3.762 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.441 3.961 1.103 1.00 0.00 H new ATOM 954 N PHE A 83 5.842 -0.832 2.229 1.00 0.00 N ATOM 955 CA PHE A 83 5.711 -2.287 2.312 1.00 0.00 C ATOM 956 C PHE A 83 4.422 -2.609 3.080 1.00 0.00 C ATOM 957 O PHE A 83 4.062 -1.852 3.987 1.00 0.00 O ATOM 958 CB PHE A 83 6.925 -2.887 3.051 1.00 0.00 C ATOM 959 CG PHE A 83 8.288 -2.742 2.394 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.021 -1.547 2.537 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.863 -3.826 1.704 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.311 -1.434 1.987 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.153 -3.707 1.153 1.00 0.00 C ATOM 964 CZ PHE A 83 10.878 -2.515 1.293 1.00 0.00 C ATOM 0 H PHE A 83 5.916 -0.395 3.148 1.00 0.00 H new ATOM 0 HA PHE A 83 5.671 -2.716 1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.977 -2.429 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.736 -3.950 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.590 -0.713 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.314 -4.750 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.866 -0.514 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.587 -4.539 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.868 -2.429 0.869 1.00 0.00 H new ATOM 974 N PHE A 84 3.744 -3.732 2.811 1.00 0.00 N ATOM 975 CA PHE A 84 2.615 -4.188 3.634 1.00 0.00 C ATOM 976 C PHE A 84 2.527 -5.713 3.685 1.00 0.00 C ATOM 977 O PHE A 84 3.064 -6.388 2.805 1.00 0.00 O ATOM 978 CB PHE A 84 1.282 -3.564 3.167 1.00 0.00 C ATOM 979 CG PHE A 84 0.771 -4.017 1.810 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.217 -3.390 0.630 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.174 -5.062 1.728 1.00 0.00 C ATOM 982 CE1 PHE A 84 0.746 -3.832 -0.619 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.664 -5.477 0.478 1.00 0.00 C ATOM 984 CZ PHE A 84 -0.201 -4.866 -0.697 1.00 0.00 C ATOM 0 H PHE A 84 3.959 -4.345 2.025 1.00 0.00 H new ATOM 0 HA PHE A 84 2.802 -3.841 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.519 -3.787 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.399 -2.481 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.919 -2.571 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.522 -5.545 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.115 -3.373 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.398 -6.267 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.572 -5.190 -1.658 1.00 0.00 H new ATOM 994 N LYS A 85 1.831 -6.253 4.696 1.00 0.00 N ATOM 995 CA LYS A 85 1.431 -7.666 4.732 1.00 0.00 C ATOM 996 C LYS A 85 0.196 -7.854 5.605 1.00 0.00 C ATOM 997 O LYS A 85 0.269 -7.647 6.814 1.00 0.00 O ATOM 998 CB LYS A 85 2.568 -8.596 5.184 1.00 0.00 C ATOM 999 CG LYS A 85 2.214 -10.076 4.906 1.00 0.00 C ATOM 1000 CD LYS A 85 3.346 -10.811 4.180 1.00 0.00 C ATOM 1001 CE LYS A 85 2.977 -12.244 3.778 1.00 0.00 C ATOM 1002 NZ LYS A 85 2.930 -13.199 4.906 1.00 0.00 N ATOM 0 H LYS A 85 1.530 -5.721 5.512 1.00 0.00 H new ATOM 0 HA LYS A 85 1.186 -7.950 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.488 -8.333 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.756 -8.457 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.000 -10.581 5.848 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.306 -10.125 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.621 -10.250 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.225 -10.836 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.004 -12.232 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.700 -12.601 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.482 -14.084 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.897 -13.397 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.378 -12.788 5.686 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.941 -8.176 4.998 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.210 -8.552 5.610 1.00 0.00 C ATOM 1018 C ALA A 86 -2.132 -9.876 6.377 1.00 0.00 C ATOM 1019 O ALA A 86 -2.116 -10.947 5.774 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.295 -8.605 4.527 1.00 0.00 C ATOM 0 H ALA A 86 -1.004 -8.181 3.980 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.463 -7.793 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.246 -8.886 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.390 -7.625 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.020 -9.342 3.772 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.184 -9.815 7.707 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.071 -10.962 8.594 1.00 0.00 C ATOM 1028 C GLU A 87 -3.306 -11.103 9.480 1.00 0.00 C ATOM 1029 O GLU A 87 -3.425 -10.471 10.532 1.00 0.00 O ATOM 1030 CB GLU A 87 -0.778 -10.893 9.421 1.00 0.00 C ATOM 1031 CG GLU A 87 0.492 -11.319 8.653 1.00 0.00 C ATOM 1032 CD GLU A 87 0.444 -12.698 7.968 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -0.481 -13.502 8.228 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.323 -12.967 7.116 1.00 0.00 O ATOM 0 H GLU A 87 -2.310 -8.936 8.208 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.016 -11.860 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.645 -9.873 9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.888 -11.529 10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.701 -10.566 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.331 -11.311 9.348 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.224 -11.974 9.058 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.409 -12.347 9.814 1.00 0.00 C ATOM 1043 C GLY A 88 -6.180 -11.149 10.350 1.00 0.00 C ATOM 1044 O GLY A 88 -6.099 -10.823 11.530 1.00 0.00 O ATOM 0 H GLY A 88 -4.157 -12.449 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.067 -12.939 9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.114 -12.984 10.648 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.936 -10.500 9.465 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.366 -9.116 9.547 1.00 0.00 C ATOM 1050 C GLN A 89 -6.131 -8.228 9.370 1.00 0.00 C ATOM 1051 O GLN A 89 -5.796 -7.864 8.247 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.227 -8.817 10.792 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.657 -9.360 10.650 1.00 0.00 C ATOM 1054 CD GLN A 89 -9.837 -10.872 10.655 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -9.360 -11.588 11.532 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.574 -11.382 9.676 1.00 0.00 N ATOM 0 H GLN A 89 -7.282 -10.960 8.623 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.060 -8.887 8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.758 -9.258 11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.263 -7.740 10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.256 -8.947 11.462 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.073 -8.975 9.719 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.961 -10.770 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.753 -12.386 9.642 1.00 0.00 H new ATOM 1065 N THR A 90 -5.419 -7.940 10.436 1.00 0.00 N ATOM 1066 CA THR A 90 -4.547 -6.795 10.567 1.00 0.00 C ATOM 1067 C THR A 90 -3.364 -6.808 9.600 1.00 0.00 C ATOM 1068 O THR A 90 -2.630 -7.781 9.500 1.00 0.00 O ATOM 1069 CB THR A 90 -4.042 -6.782 12.012 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.126 -6.966 12.898 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.437 -5.429 12.361 1.00 0.00 C ATOM 0 H THR A 90 -5.433 -8.524 11.272 1.00 0.00 H new ATOM 0 HA THR A 90 -5.114 -5.898 10.317 1.00 0.00 H new ATOM 0 HB THR A 90 -3.301 -7.576 12.104 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.798 -6.959 13.822 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.085 -5.443 13.392 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.600 -5.222 11.695 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.193 -4.652 12.246 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.126 -5.698 8.916 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.063 -5.555 7.956 1.00 0.00 C ATOM 1081 C VAL A 91 -0.881 -4.807 8.545 1.00 0.00 C ATOM 1082 O VAL A 91 -1.010 -3.634 8.866 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.595 -4.900 6.676 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -3.940 -5.407 6.151 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -2.368 -3.437 6.324 1.00 0.00 C ATOM 0 H VAL A 91 -3.688 -4.854 9.023 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.693 -6.545 7.690 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.770 -5.337 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.204 -4.865 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.866 -6.472 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.709 -5.247 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.843 -3.215 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.800 -2.805 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.298 -3.242 6.252 1.00 0.00 H new ATOM 1095 N ILE A 92 0.270 -5.453 8.697 1.00 0.00 N ATOM 1096 CA ILE A 92 1.503 -4.805 9.101 1.00 0.00 C ATOM 1097 C ILE A 92 1.985 -3.980 7.904 1.00 0.00 C ATOM 1098 O ILE A 92 2.558 -4.527 6.966 1.00 0.00 O ATOM 1099 CB ILE A 92 2.528 -5.866 9.553 1.00 0.00 C ATOM 1100 CG1 ILE A 92 2.019 -6.752 10.713 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.852 -5.244 10.031 1.00 0.00 C ATOM 1102 CD1 ILE A 92 1.076 -7.889 10.319 1.00 0.00 C ATOM 0 H ILE A 92 0.369 -6.456 8.540 1.00 0.00 H new ATOM 0 HA ILE A 92 1.360 -4.142 9.954 1.00 0.00 H new ATOM 0 HB ILE A 92 2.683 -6.470 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.882 -7.181 11.223 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.507 -6.115 11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.536 -6.035 10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.299 -4.672 9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.659 -4.584 10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.783 -8.444 11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.188 -7.476 9.840 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.584 -8.559 9.625 1.00 0.00 H new ATOM 1114 N ILE A 93 1.751 -2.672 7.912 1.00 0.00 N ATOM 1115 CA ILE A 93 2.388 -1.748 6.976 1.00 0.00 C ATOM 1116 C ILE A 93 3.781 -1.465 7.545 1.00 0.00 C ATOM 1117 O ILE A 93 3.952 -1.300 8.758 1.00 0.00 O ATOM 1118 CB ILE A 93 1.577 -0.447 6.764 1.00 0.00 C ATOM 1119 CG1 ILE A 93 0.069 -0.720 6.569 1.00 0.00 C ATOM 1120 CG2 ILE A 93 2.104 0.299 5.517 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -0.764 0.563 6.481 1.00 0.00 C ATOM 0 H ILE A 93 1.114 -2.220 8.568 1.00 0.00 H new ATOM 0 HA ILE A 93 2.445 -2.194 5.983 1.00 0.00 H new ATOM 0 HB ILE A 93 1.703 0.157 7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.075 -1.303 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.295 -1.327 7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.530 1.214 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.155 0.548 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.998 -0.339 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.814 0.306 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.647 1.136 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.424 1.161 5.635 1.00 0.00 H new ATOM 1133 N LYS A 94 4.781 -1.401 6.669 1.00 0.00 N ATOM 1134 CA LYS A 94 6.163 -1.099 6.995 1.00 0.00 C ATOM 1135 C LYS A 94 6.625 0.002 6.052 1.00 0.00 C ATOM 1136 O LYS A 94 6.672 -0.198 4.845 1.00 0.00 O ATOM 1137 CB LYS A 94 7.010 -2.387 6.955 1.00 0.00 C ATOM 1138 CG LYS A 94 6.891 -3.177 8.271 1.00 0.00 C ATOM 1139 CD LYS A 94 7.805 -4.409 8.320 1.00 0.00 C ATOM 1140 CE LYS A 94 7.700 -5.098 9.689 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.754 -6.110 9.914 1.00 0.00 N ATOM 0 H LYS A 94 4.639 -1.566 5.672 1.00 0.00 H new ATOM 0 HA LYS A 94 6.279 -0.725 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.686 -3.012 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.054 -2.132 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.133 -2.519 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.857 -3.494 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.527 -5.108 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.837 -4.112 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.756 -4.343 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.723 -5.575 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.420 -6.812 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.975 -6.586 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.610 -5.645 10.279 1.00 0.00 H new ATOM 1155 N TYR A 95 6.893 1.203 6.555 1.00 0.00 N ATOM 1156 CA TYR A 95 7.098 2.386 5.711 1.00 0.00 C ATOM 1157 C TYR A 95 8.270 3.208 6.221 1.00 0.00 C ATOM 1158 O TYR A 95 8.759 2.968 7.325 1.00 0.00 O ATOM 1159 CB TYR A 95 5.810 3.211 5.692 1.00 0.00 C ATOM 1160 CG TYR A 95 5.271 3.527 7.059 1.00 0.00 C ATOM 1161 CD1 TYR A 95 5.755 4.618 7.803 1.00 0.00 C ATOM 1162 CD2 TYR A 95 4.329 2.653 7.609 1.00 0.00 C ATOM 1163 CE1 TYR A 95 5.295 4.826 9.112 1.00 0.00 C ATOM 1164 CE2 TYR A 95 3.893 2.831 8.924 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.378 3.919 9.691 1.00 0.00 C ATOM 1166 OH TYR A 95 3.990 4.110 10.980 1.00 0.00 O ATOM 0 H TYR A 95 6.975 1.388 7.555 1.00 0.00 H new ATOM 0 HA TYR A 95 7.336 2.076 4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.995 4.144 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.051 2.669 5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.478 5.293 7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.938 1.839 7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.641 5.679 9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.186 2.139 9.356 1.00 0.00 H new ATOM 0 HH TYR A 95 3.969 3.248 11.446 1.00 0.00 H new ATOM 1176 N THR A 96 8.741 4.162 5.426 1.00 0.00 N ATOM 1177 CA THR A 96 9.934 4.927 5.732 1.00 0.00 C ATOM 1178 C THR A 96 9.846 6.293 5.050 1.00 0.00 C ATOM 1179 O THR A 96 8.983 6.541 4.210 1.00 0.00 O ATOM 1180 CB THR A 96 11.160 4.093 5.307 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.327 4.766 5.716 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.209 3.801 3.799 1.00 0.00 C ATOM 0 H THR A 96 8.299 4.425 4.545 1.00 0.00 H new ATOM 0 HA THR A 96 10.032 5.127 6.799 1.00 0.00 H new ATOM 0 HB THR A 96 11.083 3.121 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.028 4.645 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.097 3.211 3.571 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.319 3.244 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.246 4.740 3.248 1.00 0.00 H new ATOM 1190 N SER A 97 10.772 7.180 5.384 1.00 0.00 N ATOM 1191 CA SER A 97 10.981 8.443 4.696 1.00 0.00 C ATOM 1192 C SER A 97 12.360 8.471 4.009 1.00 0.00 C ATOM 1193 O SER A 97 12.673 9.449 3.331 1.00 0.00 O ATOM 1194 CB SER A 97 10.664 9.606 5.652 1.00 0.00 C ATOM 1195 OG SER A 97 10.883 9.286 7.025 1.00 0.00 O ATOM 0 H SER A 97 11.415 7.036 6.162 1.00 0.00 H new ATOM 0 HA SER A 97 10.284 8.564 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.279 10.465 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.624 9.904 5.517 1.00 0.00 H new ATOM 0 HG SER A 97 10.666 10.064 7.581 1.00 0.00 H new ATOM 1201 N GLN A 98 13.156 7.391 4.106 1.00 0.00 N ATOM 1202 CA GLN A 98 14.369 7.188 3.305 1.00 0.00 C ATOM 1203 C GLN A 98 14.558 5.713 2.933 1.00 0.00 C ATOM 1204 O GLN A 98 14.185 4.800 3.685 1.00 0.00 O ATOM 1205 CB GLN A 98 15.623 7.659 4.060 1.00 0.00 C ATOM 1206 CG GLN A 98 15.795 9.180 4.126 1.00 0.00 C ATOM 1207 CD GLN A 98 17.178 9.514 4.678 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.463 9.258 5.849 1.00 0.00 O ATOM 1209 NE2 GLN A 98 18.053 10.092 3.871 1.00 0.00 N ATOM 0 H GLN A 98 12.969 6.626 4.754 1.00 0.00 H new ATOM 0 HA GLN A 98 14.241 7.779 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.588 7.266 5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.502 7.228 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.674 9.613 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.024 9.616 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.798 10.296 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.982 10.334 4.215 1.00 0.00 H new ATOM 1218 N ARG A 99 15.248 5.458 1.815 1.00 0.00 N ATOM 1219 CA ARG A 99 15.527 4.100 1.330 1.00 0.00 C ATOM 1220 C ARG A 99 16.671 3.424 2.105 1.00 0.00 C ATOM 1221 O ARG A 99 17.055 2.308 1.768 1.00 0.00 O ATOM 1222 CB ARG A 99 15.786 4.145 -0.198 1.00 0.00 C ATOM 1223 CG ARG A 99 15.535 2.811 -0.933 1.00 0.00 C ATOM 1224 CD ARG A 99 14.053 2.414 -1.050 1.00 0.00 C ATOM 1225 NE ARG A 99 13.886 0.950 -1.123 1.00 0.00 N ATOM 1226 CZ ARG A 99 13.911 0.172 -2.219 1.00 0.00 C ATOM 1227 NH1 ARG A 99 14.069 0.667 -3.440 1.00 0.00 N ATOM 1228 NH2 ARG A 99 13.787 -1.142 -2.087 1.00 0.00 N ATOM 0 H ARG A 99 15.631 6.191 1.218 1.00 0.00 H new ATOM 0 HA ARG A 99 14.652 3.476 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.150 4.912 -0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.818 4.450 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.960 2.877 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.070 2.017 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.503 2.801 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.622 2.875 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 99 13.733 0.471 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.177 1.673 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.082 0.042 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.674 -1.553 -1.160 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.805 -1.741 -2.912 1.00 0.00 H new ATOM 1242 N ASN A 100 17.253 4.073 3.121 1.00 0.00 N ATOM 1243 CA ASN A 100 18.435 3.600 3.867 1.00 0.00 C ATOM 1244 C ASN A 100 18.181 3.266 5.339 1.00 0.00 C ATOM 1245 O ASN A 100 19.087 2.840 6.055 1.00 0.00 O ATOM 1246 CB ASN A 100 19.673 4.501 3.684 1.00 0.00 C ATOM 1247 CG ASN A 100 19.377 5.985 3.589 1.00 0.00 C ATOM 1248 OD1 ASN A 100 19.455 6.729 4.556 1.00 0.00 O ATOM 1249 ND2 ASN A 100 19.014 6.428 2.398 1.00 0.00 N ATOM 0 H ASN A 100 16.907 4.970 3.460 1.00 0.00 H new ATOM 0 HA ASN A 100 18.664 2.644 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.352 4.334 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 100 20.198 4.192 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.790 7.414 2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.958 5.783 1.609 1.00 0.00 H new ATOM 1256 N THR A 101 16.945 3.400 5.792 1.00 0.00 N ATOM 1257 CA THR A 101 16.598 3.419 7.215 1.00 0.00 C ATOM 1258 C THR A 101 15.633 2.285 7.602 1.00 0.00 C ATOM 1259 O THR A 101 15.151 1.539 6.734 1.00 0.00 O ATOM 1260 CB THR A 101 16.052 4.817 7.543 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.049 5.171 6.615 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.142 5.895 7.516 1.00 0.00 C ATOM 0 H THR A 101 16.138 3.501 5.177 1.00 0.00 H new ATOM 0 HA THR A 101 17.486 3.229 7.818 1.00 0.00 H new ATOM 0 HB THR A 101 15.647 4.767 8.554 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.234 4.661 6.804 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.702 6.863 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.910 5.654 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.590 5.935 6.523 1.00 0.00 H new ATOM 1270 N LYS A 102 15.360 2.121 8.908 1.00 0.00 N ATOM 1271 CA LYS A 102 14.460 1.088 9.424 1.00 0.00 C ATOM 1272 C LYS A 102 13.016 1.430 9.066 1.00 0.00 C ATOM 1273 O LYS A 102 12.576 2.553 9.333 1.00 0.00 O ATOM 1274 CB LYS A 102 14.631 0.931 10.950 1.00 0.00 C ATOM 1275 CG LYS A 102 13.803 -0.234 11.528 1.00 0.00 C ATOM 1276 CD LYS A 102 14.421 -1.610 11.249 1.00 0.00 C ATOM 1277 CE LYS A 102 13.337 -2.694 11.168 1.00 0.00 C ATOM 1278 NZ LYS A 102 13.915 -4.047 11.036 1.00 0.00 N ATOM 0 H LYS A 102 15.764 2.709 9.637 1.00 0.00 H new ATOM 0 HA LYS A 102 14.714 0.134 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.685 0.770 11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.337 1.858 11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.701 -0.100 12.605 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.798 -0.202 11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.980 -1.579 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.132 -1.860 12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.715 -2.651 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.687 -2.493 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.149 -4.748 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.488 -4.097 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.515 -4.250 11.861 1.00 0.00 H new ATOM 1292 N LEU A 103 12.258 0.467 8.533 1.00 0.00 N ATOM 1293 CA LEU A 103 10.818 0.650 8.357 1.00 0.00 C ATOM 1294 C LEU A 103 10.150 0.798 9.724 1.00 0.00 C ATOM 1295 O LEU A 103 10.357 -0.014 10.628 1.00 0.00 O ATOM 1296 CB LEU A 103 10.126 -0.509 7.618 1.00 0.00 C ATOM 1297 CG LEU A 103 10.571 -0.830 6.185 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.848 0.400 5.318 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.776 -1.760 6.190 1.00 0.00 C ATOM 0 H LEU A 103 12.614 -0.436 8.220 1.00 0.00 H new ATOM 0 HA LEU A 103 10.706 1.545 7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.258 -1.410 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.057 -0.296 7.594 1.00 0.00 H new ATOM 0 HG LEU A 103 9.720 -1.331 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.157 0.081 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.943 1.003 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.642 0.993 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 103 12.074 -1.974 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.602 -1.282 6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.515 -2.691 6.694 1.00 0.00 H new ATOM 1311 N LYS A 104 9.298 1.809 9.843 1.00 0.00 N ATOM 1312 CA LYS A 104 8.320 1.963 10.905 1.00 0.00 C ATOM 1313 C LYS A 104 7.261 0.871 10.782 1.00 0.00 C ATOM 1314 O LYS A 104 7.234 0.146 9.789 1.00 0.00 O ATOM 1315 CB LYS A 104 7.665 3.339 10.743 1.00 0.00 C ATOM 1316 CG LYS A 104 8.463 4.505 11.332 1.00 0.00 C ATOM 1317 CD LYS A 104 9.569 4.976 10.386 1.00 0.00 C ATOM 1318 CE LYS A 104 10.391 6.124 10.978 1.00 0.00 C ATOM 1319 NZ LYS A 104 9.595 7.352 11.147 1.00 0.00 N ATOM 0 H LYS A 104 9.271 2.576 9.171 1.00 0.00 H new ATOM 0 HA LYS A 104 8.797 1.882 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.505 3.527 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.682 3.315 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.789 5.335 11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.903 4.201 12.282 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.229 4.139 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.125 5.298 9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.794 5.819 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.242 6.331 10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.212 8.124 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.162 7.613 10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.848 7.187 11.852 1.00 0.00 H new ATOM 1333 N ALA A 105 6.337 0.812 11.739 1.00 0.00 N ATOM 1334 CA ALA A 105 5.204 -0.110 11.751 1.00 0.00 C ATOM 1335 C ALA A 105 3.890 0.674 11.881 1.00 0.00 C ATOM 1336 O ALA A 105 3.873 1.760 12.467 1.00 0.00 O ATOM 1337 CB ALA A 105 5.408 -1.066 12.930 1.00 0.00 C ATOM 0 H ALA A 105 6.357 1.425 12.554 1.00 0.00 H new ATOM 0 HA ALA A 105 5.146 -0.678 10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.579 -1.773 12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.343 -1.611 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.447 -0.496 13.858 1.00 0.00 H new ATOM 1343 N LYS A 106 2.773 0.139 11.384 1.00 0.00 N ATOM 1344 CA LYS A 106 1.389 0.586 11.605 1.00 0.00 C ATOM 1345 C LYS A 106 0.523 -0.577 11.126 1.00 0.00 C ATOM 1346 O LYS A 106 0.540 -0.880 9.934 1.00 0.00 O ATOM 1347 CB LYS A 106 1.083 1.903 10.873 1.00 0.00 C ATOM 1348 CG LYS A 106 0.064 2.806 11.587 1.00 0.00 C ATOM 1349 CD LYS A 106 -1.103 3.226 10.701 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.531 4.690 10.882 1.00 0.00 C ATOM 1351 NZ LYS A 106 -2.163 4.957 12.191 1.00 0.00 N ATOM 0 H LYS A 106 2.810 -0.676 10.772 1.00 0.00 H new ATOM 0 HA LYS A 106 1.194 0.819 12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.013 2.457 10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.709 1.672 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.324 2.282 12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.573 3.699 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.830 3.064 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.956 2.580 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.658 5.333 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.228 4.958 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.428 5.961 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -3.014 4.368 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.492 4.731 12.953 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.133 -1.282 12.048 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.840 -2.525 11.758 1.00 0.00 C ATOM 1367 C ALA A 107 -2.328 -2.191 11.552 1.00 0.00 C ATOM 1368 O ALA A 107 -2.878 -1.615 12.497 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.616 -3.487 12.941 1.00 0.00 C ATOM 0 H ALA A 107 -0.188 -1.001 13.027 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.473 -3.009 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.135 -4.426 12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.451 -3.679 13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.005 -3.037 13.854 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.993 -2.476 10.409 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.370 -1.951 10.221 1.00 0.00 C ATOM 1377 C LEU A 108 -5.358 -3.085 10.045 1.00 0.00 C ATOM 1378 O LEU A 108 -5.201 -3.886 9.126 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.500 -0.986 9.034 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.895 0.415 9.151 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.557 1.250 10.250 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -2.387 0.370 9.369 1.00 0.00 C ATOM 0 H LEU A 108 -2.626 -3.036 9.639 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.595 -1.388 11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.050 -1.468 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.562 -0.870 8.819 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.092 0.901 8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.090 2.234 10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.619 1.361 10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.433 0.750 11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.000 1.386 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.168 -0.173 10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.913 -0.136 8.528 1.00 0.00 H new ATOM 1394 N THR A 109 -6.374 -3.170 10.900 1.00 0.00 N ATOM 1395 CA THR A 109 -7.412 -4.179 10.754 1.00 0.00 C ATOM 1396 C THR A 109 -8.105 -4.024 9.394 1.00 0.00 C ATOM 1397 O THR A 109 -8.339 -2.914 8.919 1.00 0.00 O ATOM 1398 CB THR A 109 -8.377 -4.095 11.943 1.00 0.00 C ATOM 1399 OG1 THR A 109 -8.755 -2.763 12.232 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.732 -4.753 13.169 1.00 0.00 C ATOM 0 H THR A 109 -6.498 -2.550 11.701 1.00 0.00 H new ATOM 0 HA THR A 109 -6.979 -5.179 10.767 1.00 0.00 H new ATOM 0 HB THR A 109 -9.289 -4.629 11.677 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.371 -2.756 12.994 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.416 -4.694 14.016 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.515 -5.798 12.949 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.805 -4.234 13.415 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.495 -5.132 8.758 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.321 -5.081 7.553 1.00 0.00 C ATOM 1410 C LEU A 110 -10.573 -4.237 7.750 1.00 0.00 C ATOM 1411 O LEU A 110 -11.084 -3.643 6.795 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.764 -6.500 7.184 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.656 -7.358 6.571 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -9.193 -8.727 6.128 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.942 -6.653 5.433 1.00 0.00 C ATOM 0 H LEU A 110 -8.251 -6.075 9.059 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.717 -4.631 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.141 -6.996 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.594 -6.439 6.480 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.915 -7.523 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.382 -9.314 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.603 -9.253 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.976 -8.587 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.165 -7.304 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.658 -6.415 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.490 -5.733 5.802 1.00 0.00 H new ATOM 1427 N SER A 111 -11.102 -4.214 8.968 1.00 0.00 N ATOM 1428 CA SER A 111 -12.222 -3.346 9.280 1.00 0.00 C ATOM 1429 C SER A 111 -11.846 -1.858 9.152 1.00 0.00 C ATOM 1430 O SER A 111 -12.625 -1.132 8.531 1.00 0.00 O ATOM 1431 CB SER A 111 -12.834 -3.709 10.637 1.00 0.00 C ATOM 1432 OG SER A 111 -14.217 -3.399 10.622 1.00 0.00 O ATOM 0 H SER A 111 -10.774 -4.783 9.748 1.00 0.00 H new ATOM 0 HA SER A 111 -13.002 -3.512 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.689 -4.770 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.334 -3.158 11.434 1.00 0.00 H new ATOM 0 HG SER A 111 -14.614 -3.631 11.488 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.669 -1.425 9.644 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.148 -0.068 9.453 1.00 0.00 C ATOM 1440 C GLN A 112 -10.171 0.282 7.970 1.00 0.00 C ATOM 1441 O GLN A 112 -10.921 1.172 7.582 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.711 0.112 10.007 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.629 0.737 11.396 1.00 0.00 C ATOM 1444 CD GLN A 112 -9.286 2.112 11.470 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -10.234 2.302 12.217 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -8.839 3.080 10.686 1.00 0.00 N ATOM 0 H GLN A 112 -10.049 -2.021 10.192 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.794 0.605 10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.224 -0.863 10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.145 0.732 9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.107 0.073 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -7.582 0.824 11.688 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.047 2.910 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.287 3.996 10.701 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.374 -0.408 7.140 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.162 0.012 5.749 1.00 0.00 C ATOM 1457 C LEU A 113 -10.482 0.117 4.984 1.00 0.00 C ATOM 1458 O LEU A 113 -10.631 0.954 4.096 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.275 -0.977 4.967 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.776 -1.113 5.294 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -6.105 0.224 5.615 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.531 -2.118 6.416 1.00 0.00 C ATOM 0 H LEU A 113 -8.869 -1.253 7.407 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.673 0.984 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.719 -1.966 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.351 -0.712 3.912 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.311 -1.490 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.051 0.058 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.195 0.891 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.590 0.676 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.462 -2.185 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.050 -1.791 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.906 -3.097 6.116 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.439 -0.757 5.302 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.715 -0.792 4.619 1.00 0.00 C ATOM 1476 C LYS A 114 -13.547 0.422 4.984 1.00 0.00 C ATOM 1477 O LYS A 114 -14.251 0.933 4.122 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.427 -2.063 5.013 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.719 -2.270 4.219 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.432 -3.532 4.703 1.00 0.00 C ATOM 1481 CE LYS A 114 -14.513 -4.759 4.769 1.00 0.00 C ATOM 1482 NZ LYS A 114 -13.848 -4.904 6.087 1.00 0.00 N ATOM 0 H LYS A 114 -11.343 -1.455 6.040 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.561 -0.773 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.764 -2.913 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.657 -2.034 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.372 -1.405 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.493 -2.355 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.852 -3.347 5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.267 -3.747 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.096 -5.656 4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.754 -4.682 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.860 -4.589 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.345 -4.323 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.873 -5.901 6.380 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.540 0.846 6.248 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.206 2.067 6.626 1.00 0.00 C ATOM 1498 C LYS A 115 -13.466 3.215 5.960 1.00 0.00 C ATOM 1499 O LYS A 115 -14.074 3.880 5.125 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.296 2.159 8.159 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.768 2.175 8.608 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.527 0.869 8.306 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.053 -0.274 9.211 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.048 -0.586 10.254 1.00 0.00 N ATOM 0 H LYS A 115 -13.080 0.356 7.015 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.240 2.104 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.780 1.312 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.793 3.062 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.809 2.368 9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.279 3.003 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.596 1.027 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.380 0.594 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.865 -1.163 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.107 -0.001 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.696 -1.363 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.208 0.256 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.943 -0.870 9.806 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.171 3.372 6.246 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.377 4.499 5.784 1.00 0.00 C ATOM 1520 C GLU A 116 -11.577 4.766 4.299 1.00 0.00 C ATOM 1521 O GLU A 116 -11.873 5.897 3.929 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.884 4.309 6.086 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.486 4.291 7.570 1.00 0.00 C ATOM 1524 CD GLU A 116 -10.145 5.372 8.438 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -10.314 6.525 7.972 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -10.498 5.042 9.595 1.00 0.00 O ATOM 0 H GLU A 116 -11.643 2.708 6.813 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.732 5.368 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.560 3.372 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.331 5.109 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.735 3.314 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.404 4.401 7.641 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.447 3.739 3.455 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.309 3.937 2.017 1.00 0.00 C ATOM 1535 C PHE A 117 -12.266 3.065 1.209 1.00 0.00 C ATOM 1536 O PHE A 117 -12.077 2.903 0.009 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.852 3.713 1.604 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.817 4.374 2.499 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.842 5.767 2.711 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.844 3.590 3.150 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.906 6.369 3.569 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.910 4.195 4.007 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.940 5.584 4.220 1.00 0.00 C ATOM 0 H PHE A 117 -11.435 2.762 3.747 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.587 4.967 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.658 2.641 1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.718 4.082 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.583 6.374 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.816 2.522 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.929 7.437 3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.166 3.591 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.223 6.046 4.882 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.295 2.465 1.823 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.241 1.633 1.074 1.00 0.00 C ATOM 1555 C TYR A 118 -15.659 1.642 1.671 1.00 0.00 C ATOM 1556 O TYR A 118 -16.474 0.734 1.454 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.625 0.233 0.917 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.943 -0.489 -0.375 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.532 0.029 -1.623 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.567 -1.744 -0.307 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.718 -0.729 -2.798 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.775 -2.499 -1.471 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.341 -2.002 -2.716 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.598 -2.767 -3.810 1.00 0.00 O ATOM 0 H TYR A 118 -13.490 2.539 2.821 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.396 2.053 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.542 0.322 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.961 -0.386 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -13.075 1.006 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.889 -2.131 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.389 -0.344 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.267 -3.459 -1.413 1.00 0.00 H new ATOM 0 HH TYR A 118 -15.029 -3.602 -3.531 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.971 2.695 2.430 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.223 2.892 3.155 1.00 0.00 C ATOM 1576 C GLN A 119 -18.472 2.810 2.269 1.00 0.00 C ATOM 1577 O GLN A 119 -19.531 2.409 2.747 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.176 4.254 3.871 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.047 5.441 2.906 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.993 6.471 3.285 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -16.323 7.643 3.417 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.726 6.099 3.292 1.00 0.00 N ATOM 0 H GLN A 119 -15.322 3.471 2.560 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.309 2.074 3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.081 4.375 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.334 4.264 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.817 5.057 1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.013 5.941 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.483 5.115 3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.991 6.796 3.410 1.00 0.00 H new ATOM 1591 N THR A 120 -18.357 3.162 0.989 1.00 0.00 N ATOM 1592 CA THR A 120 -19.478 3.356 0.065 1.00 0.00 C ATOM 1593 C THR A 120 -19.193 2.700 -1.293 1.00 0.00 C ATOM 1594 O THR A 120 -18.032 2.453 -1.632 1.00 0.00 O ATOM 1595 CB THR A 120 -19.743 4.870 -0.031 1.00 0.00 C ATOM 1596 OG1 THR A 120 -20.839 5.143 -0.870 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.543 5.668 -0.546 1.00 0.00 C ATOM 0 H THR A 120 -17.451 3.326 0.550 1.00 0.00 H new ATOM 0 HA THR A 120 -20.380 2.866 0.432 1.00 0.00 H new ATOM 0 HB THR A 120 -19.951 5.184 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 120 -20.986 6.111 -0.912 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.801 6.726 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.697 5.527 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.276 5.320 -1.544 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.239 2.428 -2.086 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.105 1.865 -3.432 1.00 0.00 C ATOM 1607 C ARG A 121 -19.535 2.871 -4.410 1.00 0.00 C ATOM 1608 O ARG A 121 -18.813 2.468 -5.305 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.450 1.352 -3.975 1.00 0.00 C ATOM 1610 CG ARG A 121 -21.705 -0.092 -3.524 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.192 -0.400 -3.336 1.00 0.00 C ATOM 1612 NE ARG A 121 -23.350 -1.745 -2.764 1.00 0.00 N ATOM 1613 CZ ARG A 121 -24.212 -2.704 -3.111 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -25.099 -2.553 -4.084 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -24.199 -3.848 -2.448 1.00 0.00 N ATOM 0 H ARG A 121 -21.206 2.594 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.414 1.027 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.258 1.995 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.451 1.403 -5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.287 -0.777 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.180 -0.273 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.647 0.341 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.710 -0.338 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.716 -1.977 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.143 -1.676 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.738 -3.314 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.537 -3.987 -1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.851 -4.591 -2.700 1.00 0.00 H new ATOM 1629 N SER A 122 -19.818 4.160 -4.267 1.00 0.00 N ATOM 1630 CA SER A 122 -19.347 5.145 -5.233 1.00 0.00 C ATOM 1631 C SER A 122 -17.820 5.192 -5.226 1.00 0.00 C ATOM 1632 O SER A 122 -17.218 5.201 -6.294 1.00 0.00 O ATOM 1633 CB SER A 122 -20.033 6.469 -4.894 1.00 0.00 C ATOM 1634 OG SER A 122 -20.355 7.227 -6.041 1.00 0.00 O ATOM 0 H SER A 122 -20.367 4.546 -3.498 1.00 0.00 H new ATOM 0 HA SER A 122 -19.610 4.890 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.944 6.267 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.381 7.056 -4.247 1.00 0.00 H new ATOM 0 HG SER A 122 -20.792 8.061 -5.770 1.00 0.00 H new ATOM 1640 N GLN A 123 -17.204 5.062 -4.049 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.760 4.982 -3.874 1.00 0.00 C ATOM 1642 C GLN A 123 -15.144 3.744 -4.540 1.00 0.00 C ATOM 1643 O GLN A 123 -13.949 3.755 -4.831 1.00 0.00 O ATOM 1644 CB GLN A 123 -15.471 5.059 -2.368 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.990 4.917 -2.000 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.704 5.408 -0.589 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -12.732 6.109 -0.343 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -14.551 5.061 0.368 1.00 0.00 N ATOM 0 H GLN A 123 -17.715 5.008 -3.168 1.00 0.00 H new ATOM 0 HA GLN A 123 -15.281 5.819 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.837 6.013 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -16.035 4.276 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.693 3.872 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -13.384 5.481 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.357 4.476 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -14.397 5.379 1.325 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.927 2.700 -4.848 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.419 1.541 -5.580 1.00 0.00 C ATOM 1659 C LYS A 124 -14.792 1.954 -6.901 1.00 0.00 C ATOM 1660 O LYS A 124 -13.834 1.305 -7.308 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.519 0.507 -5.851 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.978 -0.169 -4.555 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.947 -1.317 -4.840 1.00 0.00 C ATOM 1664 CE LYS A 124 -18.156 -2.169 -3.586 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.792 -3.464 -3.901 1.00 0.00 N ATOM 0 H LYS A 124 -16.914 2.639 -4.599 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.659 1.086 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.368 0.993 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.149 -0.247 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.111 -0.548 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.461 0.566 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.903 -0.918 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -17.557 -1.937 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.195 -2.344 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.776 -1.623 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -18.916 -4.012 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.720 -3.297 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.188 -3.996 -4.559 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.310 3.008 -7.543 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.807 3.494 -8.818 1.00 0.00 C ATOM 1681 C ARG A 125 -13.317 3.768 -8.731 1.00 0.00 C ATOM 1682 O ARG A 125 -12.542 3.243 -9.528 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.546 4.783 -9.236 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.378 4.661 -10.507 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.611 6.078 -11.037 1.00 0.00 C ATOM 1686 NE ARG A 125 -17.700 6.123 -12.013 1.00 0.00 N ATOM 1687 CZ ARG A 125 -17.971 7.146 -12.828 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -17.125 8.163 -12.948 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.116 7.144 -13.497 1.00 0.00 N ATOM 0 H ARG A 125 -16.097 3.547 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.985 2.723 -9.568 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.199 5.091 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.812 5.577 -9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -15.859 4.054 -11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -17.327 4.168 -10.299 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.841 6.743 -10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -15.695 6.449 -11.497 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.304 5.303 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -16.256 8.169 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.344 8.938 -13.574 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.771 6.370 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -19.341 7.916 -14.124 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.945 4.660 -7.821 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.611 5.229 -7.760 1.00 0.00 C ATOM 1705 C GLU A 126 -10.630 4.217 -7.219 1.00 0.00 C ATOM 1706 O GLU A 126 -9.569 4.020 -7.797 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.654 6.490 -6.880 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.261 7.686 -7.741 1.00 0.00 C ATOM 1709 CD GLU A 126 -11.812 9.007 -7.225 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.016 9.097 -6.894 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -11.058 10.002 -7.181 1.00 0.00 O ATOM 0 H GLU A 126 -13.572 5.011 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.276 5.502 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.653 6.631 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.971 6.388 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.174 7.748 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.617 7.525 -8.759 1.00 0.00 H new ATOM 1718 N VAL A 127 -11.014 3.566 -6.125 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.182 2.586 -5.451 1.00 0.00 C ATOM 1720 C VAL A 127 -9.800 1.502 -6.453 1.00 0.00 C ATOM 1721 O VAL A 127 -8.616 1.268 -6.672 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.891 2.047 -4.204 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -10.040 1.014 -3.455 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -11.145 3.197 -3.218 1.00 0.00 C ATOM 0 H VAL A 127 -11.921 3.708 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.260 3.041 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.816 1.584 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.584 0.661 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.827 0.172 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -9.104 1.474 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.649 2.812 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.194 3.645 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.772 3.952 -3.693 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.794 0.860 -7.073 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.563 -0.165 -8.086 1.00 0.00 C ATOM 1736 C ASP A 128 -9.773 0.349 -9.285 1.00 0.00 C ATOM 1737 O ASP A 128 -9.026 -0.426 -9.869 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.904 -0.692 -8.579 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.751 -2.026 -9.303 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.588 -3.053 -8.605 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -11.976 -2.065 -10.535 1.00 0.00 O ATOM 0 H ASP A 128 -11.780 1.039 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.973 -0.951 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.582 -0.812 -7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.358 0.037 -9.250 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.904 1.630 -9.649 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.140 2.201 -10.757 1.00 0.00 C ATOM 1748 C ASP A 129 -7.654 2.274 -10.422 1.00 0.00 C ATOM 1749 O ASP A 129 -6.829 1.972 -11.282 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.670 3.578 -11.161 1.00 0.00 C ATOM 1751 CG ASP A 129 -9.046 4.041 -12.472 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -9.254 3.357 -13.503 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -8.493 5.158 -12.509 1.00 0.00 O ATOM 0 H ASP A 129 -10.533 2.289 -9.190 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.266 1.534 -11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.754 3.538 -11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.451 4.301 -10.375 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.293 2.588 -9.170 1.00 0.00 N ATOM 1759 CA TYR A 130 -5.904 2.499 -8.735 1.00 0.00 C ATOM 1760 C TYR A 130 -5.420 1.046 -8.851 1.00 0.00 C ATOM 1761 O TYR A 130 -4.313 0.809 -9.331 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.699 3.035 -7.308 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.297 4.399 -6.968 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.012 5.552 -7.728 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.142 4.517 -5.851 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -6.594 6.790 -7.398 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.767 5.734 -5.541 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.493 6.881 -6.314 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.064 8.065 -5.963 1.00 0.00 O ATOM 0 H TYR A 130 -7.943 2.903 -8.450 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.308 3.134 -9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.113 2.305 -6.613 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.627 3.083 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.341 5.484 -8.571 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.313 3.657 -5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.353 7.671 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.457 5.792 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.655 7.928 -5.193 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.235 0.061 -8.456 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.871 -1.355 -8.571 1.00 0.00 C ATOM 1781 C VAL A 131 -5.686 -1.745 -10.044 1.00 0.00 C ATOM 1782 O VAL A 131 -4.787 -2.519 -10.376 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.912 -2.264 -7.879 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.381 -3.698 -7.790 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.217 -1.837 -6.438 1.00 0.00 C ATOM 0 H VAL A 131 -7.157 0.221 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.921 -1.501 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.815 -2.187 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.122 -4.331 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.186 -4.077 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.457 -3.709 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.954 -2.514 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.302 -1.872 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.612 -0.821 -6.435 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.528 -1.226 -10.935 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.521 -1.565 -12.346 1.00 0.00 C ATOM 1797 C ALA A 132 -5.446 -0.795 -13.132 1.00 0.00 C ATOM 1798 O ALA A 132 -5.078 -1.236 -14.224 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.930 -1.321 -12.890 1.00 0.00 C ATOM 0 H ALA A 132 -7.246 -0.546 -10.686 1.00 0.00 H new ATOM 0 HA ALA A 132 -6.254 -2.615 -12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.958 -1.567 -13.951 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.641 -1.949 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.196 -0.273 -12.754 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.926 0.317 -12.600 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.940 1.187 -13.243 1.00 0.00 C ATOM 1807 C GLY A 133 -2.540 1.105 -12.630 1.00 0.00 C ATOM 1808 O GLY A 133 -1.606 1.736 -13.133 1.00 0.00 O ATOM 0 H GLY A 133 -5.193 0.647 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.878 0.928 -14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.290 2.218 -13.187 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.362 0.368 -11.531 1.00 0.00 N ATOM 1813 CA LEU A 134 -1.033 0.076 -11.009 1.00 0.00 C ATOM 1814 C LEU A 134 -0.404 -1.036 -11.847 1.00 0.00 C ATOM 1815 O LEU A 134 -1.106 -1.926 -12.331 1.00 0.00 O ATOM 1816 CB LEU A 134 -1.077 -0.202 -9.498 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.696 -1.534 -9.032 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.680 -2.674 -9.072 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -2.165 -1.389 -7.581 1.00 0.00 C ATOM 0 H LEU A 134 -3.125 -0.036 -10.988 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.383 0.946 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.056 -0.156 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.630 0.609 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.522 -1.765 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.154 -3.596 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.318 -2.803 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.158 -2.438 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.604 -2.328 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.314 -1.139 -6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.911 -0.597 -7.517 1.00 0.00 H new ATOM 1831 N ARG A 135 0.916 -0.982 -12.025 1.00 0.00 N ATOM 1832 CA ARG A 135 1.684 -1.975 -12.772 1.00 0.00 C ATOM 1833 C ARG A 135 2.147 -3.067 -11.814 1.00 0.00 C ATOM 1834 O ARG A 135 2.193 -2.849 -10.606 1.00 0.00 O ATOM 1835 CB ARG A 135 2.908 -1.311 -13.429 1.00 0.00 C ATOM 1836 CG ARG A 135 2.586 -0.111 -14.333 1.00 0.00 C ATOM 1837 CD ARG A 135 3.869 0.553 -14.861 1.00 0.00 C ATOM 1838 NE ARG A 135 4.077 0.302 -16.295 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.719 -0.711 -16.882 1.00 0.00 C ATOM 1840 NH1 ARG A 135 5.340 -1.652 -16.175 1.00 0.00 N ATOM 1841 NH2 ARG A 135 4.756 -0.759 -18.204 1.00 0.00 N ATOM 0 H ARG A 135 1.492 -0.231 -11.646 1.00 0.00 H new ATOM 0 HA ARG A 135 1.057 -2.407 -13.552 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.590 -0.983 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.437 -2.060 -14.019 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.973 -0.440 -15.172 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.999 0.619 -13.776 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.818 1.628 -14.686 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.726 0.179 -14.301 1.00 0.00 H new ATOM 0 HE ARG A 135 3.677 0.996 -16.927 1.00 0.00 H new ATOM 0 HH11 ARG A 135 5.334 -1.612 -15.156 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.822 -2.414 -16.652 1.00 0.00 H new ATOM 0 HH21 ARG A 135 4.300 -0.031 -18.754 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.241 -1.524 -18.673 1.00 0.00 H new ATOM 1855 N THR A 136 2.591 -4.200 -12.351 1.00 0.00 N ATOM 1856 CA THR A 136 3.130 -5.315 -11.567 1.00 0.00 C ATOM 1857 C THR A 136 4.572 -5.648 -11.991 1.00 0.00 C ATOM 1858 O THR A 136 5.157 -6.606 -11.497 1.00 0.00 O ATOM 1859 CB THR A 136 2.150 -6.498 -11.668 1.00 0.00 C ATOM 1860 OG1 THR A 136 0.816 -6.042 -11.489 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.429 -7.654 -10.701 1.00 0.00 C ATOM 0 H THR A 136 2.588 -4.375 -13.356 1.00 0.00 H new ATOM 0 HA THR A 136 3.211 -5.046 -10.514 1.00 0.00 H new ATOM 0 HB THR A 136 2.296 -6.906 -12.668 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.199 -6.801 -11.556 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.687 -8.438 -10.848 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.424 -8.056 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.375 -7.291 -9.675 1.00 0.00 H new ATOM 1869 N GLU A 137 5.127 -4.815 -12.881 1.00 0.00 N ATOM 1870 CA GLU A 137 6.291 -5.011 -13.729 1.00 0.00 C ATOM 1871 C GLU A 137 6.216 -6.282 -14.566 1.00 0.00 C ATOM 1872 O GLU A 137 6.300 -6.112 -15.798 1.00 0.00 O ATOM 1873 CB GLU A 137 7.629 -4.742 -13.017 1.00 0.00 C ATOM 1874 CG GLU A 137 8.197 -5.827 -12.086 1.00 0.00 C ATOM 1875 CD GLU A 137 9.654 -5.520 -11.714 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.522 -5.584 -12.627 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.945 -5.164 -10.549 1.00 0.00 O ATOM 0 H GLU A 137 4.722 -3.892 -13.034 1.00 0.00 H new ATOM 0 HA GLU A 137 6.262 -4.220 -14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.377 -4.538 -13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.515 -3.830 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.592 -5.889 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.139 -6.799 -12.576 1.00 0.00 H new TER 1884 GLU A 137