USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 826 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 69 TYR OH : rot 118:sc= 1.15 USER MOD Set 1.2: A 93 SER OG : rot 81:sc= 0.638 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0282 (180deg=-0.244) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -166:sc= -1.06 USER MOD Single : A 18 TYR OH : rot 172:sc= -0.206 USER MOD Single : A 24 MET CE :methyl 161:sc= -1.41 (180deg=-2.81!) USER MOD Single : A 28 ASN : amide:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.916 K(o=-0.92,f=-4.2!) USER MOD Single : A 40 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.6!) USER MOD Single : A 52 THR OG1 : rot 77:sc= -0.115 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.3!) USER MOD Single : A 83 MET CE :methyl 178:sc= -5.57! (180deg=-5.62!) USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= -0.318 (180deg=-2.02!) USER MOD Single : A 94 HIS : no HD1:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 102 HIS : no HD1:sc= -7.12! K(o=-7.1!,f=-4.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -114:sc= 0.0459 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 197.891 -8.055 5.969 1.00 0.00 N ATOM 2 CA MET A 1 196.796 -7.740 6.924 1.00 0.00 C ATOM 3 C MET A 1 195.427 -7.977 6.293 1.00 0.00 C ATOM 4 O MET A 1 194.454 -7.300 6.625 1.00 0.00 O ATOM 5 CB MET A 1 196.931 -6.279 7.356 1.00 0.00 C ATOM 6 CG MET A 1 196.857 -5.294 6.201 1.00 0.00 C ATOM 7 SD MET A 1 196.500 -3.612 6.745 1.00 0.00 S ATOM 8 CE MET A 1 198.157 -2.972 6.975 1.00 0.00 C ATOM 0 H1 MET A 1 198.793 -7.697 6.344 1.00 0.00 H new ATOM 0 H2 MET A 1 197.954 -9.085 5.840 1.00 0.00 H new ATOM 0 H3 MET A 1 197.694 -7.603 5.053 1.00 0.00 H new ATOM 0 HA MET A 1 196.877 -8.398 7.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 196.143 -6.046 8.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 197.881 -6.148 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 1 197.803 -5.304 5.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 196.086 -5.617 5.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 198.104 -1.937 7.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 198.678 -3.571 7.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 198.699 -3.019 6.031 1.00 0.00 H new ATOM 18 N THR A 2 195.360 -8.941 5.381 1.00 0.00 N ATOM 19 CA THR A 2 194.110 -9.266 4.704 1.00 0.00 C ATOM 20 C THR A 2 193.179 -10.035 5.640 1.00 0.00 C ATOM 21 O THR A 2 193.580 -11.020 6.259 1.00 0.00 O ATOM 22 CB THR A 2 194.398 -10.078 3.428 1.00 0.00 C ATOM 23 OG1 THR A 2 194.586 -9.213 2.323 1.00 0.00 O ATOM 24 CG2 THR A 2 193.308 -11.067 3.049 1.00 0.00 C ATOM 0 H THR A 2 196.156 -9.510 5.094 1.00 0.00 H new ATOM 0 HA THR A 2 193.611 -8.340 4.419 1.00 0.00 H new ATOM 0 HB THR A 2 195.298 -10.647 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 2 194.770 -9.744 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 2 193.595 -11.594 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 2 193.172 -11.786 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 2 192.374 -10.531 2.879 1.00 0.00 H new ATOM 32 N THR A 3 191.935 -9.577 5.736 1.00 0.00 N ATOM 33 CA THR A 3 190.947 -10.220 6.595 1.00 0.00 C ATOM 34 C THR A 3 190.121 -11.244 5.816 1.00 0.00 C ATOM 35 O THR A 3 189.425 -12.067 6.409 1.00 0.00 O ATOM 36 CB THR A 3 190.017 -9.173 7.226 1.00 0.00 C ATOM 37 OG1 THR A 3 188.937 -8.876 6.359 1.00 0.00 O ATOM 38 CG2 THR A 3 190.704 -7.861 7.561 1.00 0.00 C ATOM 0 H THR A 3 191.587 -8.763 5.229 1.00 0.00 H new ATOM 0 HA THR A 3 191.486 -10.741 7.386 1.00 0.00 H new ATOM 0 HB THR A 3 189.675 -9.627 8.156 1.00 0.00 H new ATOM 0 HG1 THR A 3 188.355 -8.209 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 3 189.982 -7.174 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 3 191.511 -8.044 8.270 1.00 0.00 H new ATOM 0 HG23 THR A 3 191.113 -7.422 6.651 1.00 0.00 H new ATOM 46 N GLU A 4 190.196 -11.181 4.485 1.00 0.00 N ATOM 47 CA GLU A 4 189.450 -12.096 3.620 1.00 0.00 C ATOM 48 C GLU A 4 187.986 -11.677 3.514 1.00 0.00 C ATOM 49 O GLU A 4 187.122 -12.486 3.176 1.00 0.00 O ATOM 50 CB GLU A 4 189.547 -13.539 4.129 1.00 0.00 C ATOM 51 CG GLU A 4 190.955 -13.954 4.524 1.00 0.00 C ATOM 52 CD GLU A 4 191.702 -14.629 3.390 1.00 0.00 C ATOM 53 OE1 GLU A 4 191.311 -15.751 3.006 1.00 0.00 O ATOM 54 OE2 GLU A 4 192.677 -14.034 2.885 1.00 0.00 O ATOM 0 H GLU A 4 190.768 -10.503 3.982 1.00 0.00 H new ATOM 0 HA GLU A 4 189.899 -12.048 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 4 188.888 -13.657 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 4 189.183 -14.214 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 4 191.512 -13.075 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 4 190.905 -14.632 5.376 1.00 0.00 H new ATOM 61 N ILE A 5 187.716 -10.406 3.800 1.00 0.00 N ATOM 62 CA ILE A 5 186.359 -9.877 3.731 1.00 0.00 C ATOM 63 C ILE A 5 186.322 -8.591 2.912 1.00 0.00 C ATOM 64 O ILE A 5 187.091 -7.664 3.162 1.00 0.00 O ATOM 65 CB ILE A 5 185.788 -9.591 5.135 1.00 0.00 C ATOM 66 CG1 ILE A 5 186.161 -10.713 6.107 1.00 0.00 C ATOM 67 CG2 ILE A 5 184.277 -9.425 5.067 1.00 0.00 C ATOM 68 CD1 ILE A 5 185.722 -12.086 5.645 1.00 0.00 C ATOM 0 H ILE A 5 188.420 -9.724 4.082 1.00 0.00 H new ATOM 0 HA ILE A 5 185.746 -10.639 3.250 1.00 0.00 H new ATOM 0 HB ILE A 5 186.223 -8.662 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 5 187.242 -10.715 6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 5 185.712 -10.505 7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 5 183.888 -9.224 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 5 184.032 -8.593 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 5 183.828 -10.340 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 5 186.020 -12.831 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 5 184.638 -12.102 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 5 186.191 -12.315 4.688 1.00 0.00 H new ATOM 80 N LYS A 6 185.427 -8.543 1.932 1.00 0.00 N ATOM 81 CA LYS A 6 185.297 -7.369 1.077 1.00 0.00 C ATOM 82 C LYS A 6 183.843 -6.919 0.980 1.00 0.00 C ATOM 83 O LYS A 6 182.924 -7.681 1.278 1.00 0.00 O ATOM 84 CB LYS A 6 185.843 -7.669 -0.320 1.00 0.00 C ATOM 85 CG LYS A 6 187.323 -8.014 -0.334 1.00 0.00 C ATOM 86 CD LYS A 6 187.974 -7.624 -1.651 1.00 0.00 C ATOM 87 CE LYS A 6 188.025 -8.798 -2.616 1.00 0.00 C ATOM 88 NZ LYS A 6 188.072 -8.349 -4.035 1.00 0.00 N ATOM 0 H LYS A 6 184.782 -9.301 1.710 1.00 0.00 H new ATOM 0 HA LYS A 6 185.877 -6.561 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.281 -8.498 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.674 -6.803 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.825 -7.502 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 187.450 -9.084 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 187.418 -6.803 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 6 188.985 -7.260 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 6 188.902 -9.408 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 6 187.151 -9.431 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 188.106 -9.179 -4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 187.223 -7.788 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 188.920 -7.766 -4.187 1.00 0.00 H new ATOM 102 N LYS A 7 183.646 -5.674 0.560 1.00 0.00 N ATOM 103 CA LYS A 7 182.306 -5.116 0.420 1.00 0.00 C ATOM 104 C LYS A 7 181.839 -5.189 -1.031 1.00 0.00 C ATOM 105 O LYS A 7 182.505 -5.787 -1.876 1.00 0.00 O ATOM 106 CB LYS A 7 182.285 -3.666 0.907 1.00 0.00 C ATOM 107 CG LYS A 7 182.774 -3.498 2.336 1.00 0.00 C ATOM 108 CD LYS A 7 182.214 -2.235 2.973 1.00 0.00 C ATOM 109 CE LYS A 7 183.277 -1.156 3.101 1.00 0.00 C ATOM 110 NZ LYS A 7 182.716 0.207 2.883 1.00 0.00 N ATOM 0 H LYS A 7 184.398 -5.032 0.310 1.00 0.00 H new ATOM 0 HA LYS A 7 181.623 -5.706 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 7 182.905 -3.060 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 7 181.268 -3.281 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 7 182.480 -4.366 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 7 183.863 -3.460 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 181.385 -1.861 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 7 181.813 -2.471 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 7 183.729 -1.208 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.071 -1.341 2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 183.473 0.913 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 182.307 0.265 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 181.976 0.395 3.589 1.00 0.00 H new ATOM 124 N LEU A 8 180.693 -4.578 -1.314 1.00 0.00 N ATOM 125 CA LEU A 8 180.142 -4.577 -2.664 1.00 0.00 C ATOM 126 C LEU A 8 180.335 -3.217 -3.326 1.00 0.00 C ATOM 127 O LEU A 8 180.235 -2.178 -2.673 1.00 0.00 O ATOM 128 CB LEU A 8 178.653 -4.937 -2.631 1.00 0.00 C ATOM 129 CG LEU A 8 178.291 -6.256 -3.312 1.00 0.00 C ATOM 130 CD1 LEU A 8 176.893 -6.698 -2.909 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.392 -6.117 -4.823 1.00 0.00 C ATOM 0 H LEU A 8 180.129 -4.078 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 8 180.675 -5.326 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 178.329 -4.982 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.090 -4.134 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 8 178.999 -7.019 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 176.652 -7.639 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 8 176.852 -6.835 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.171 -5.937 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.131 -7.065 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 8 177.706 -5.342 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.412 -5.845 -5.096 1.00 0.00 H new ATOM 143 N ASP A 9 180.611 -3.229 -4.626 1.00 0.00 N ATOM 144 CA ASP A 9 180.815 -1.995 -5.376 1.00 0.00 C ATOM 145 C ASP A 9 179.627 -1.051 -5.200 1.00 0.00 C ATOM 146 O ASP A 9 178.498 -1.494 -4.989 1.00 0.00 O ATOM 147 CB ASP A 9 181.023 -2.303 -6.860 1.00 0.00 C ATOM 148 CG ASP A 9 182.490 -2.416 -7.227 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.079 -3.493 -6.995 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.050 -1.427 -7.745 1.00 0.00 O ATOM 0 H ASP A 9 180.699 -4.080 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 9 181.707 -1.505 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 9 180.516 -3.235 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 9 180.561 -1.519 -7.459 1.00 0.00 H new ATOM 155 N PRO A 10 179.866 0.269 -5.284 1.00 0.00 N ATOM 156 CA PRO A 10 178.809 1.274 -5.131 1.00 0.00 C ATOM 157 C PRO A 10 177.685 1.085 -6.143 1.00 0.00 C ATOM 158 O PRO A 10 176.509 1.055 -5.781 1.00 0.00 O ATOM 159 CB PRO A 10 179.530 2.609 -5.372 1.00 0.00 C ATOM 160 CG PRO A 10 180.812 2.248 -6.044 1.00 0.00 C ATOM 161 CD PRO A 10 181.177 0.885 -5.533 1.00 0.00 C ATOM 0 HA PRO A 10 178.331 1.211 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 10 178.932 3.272 -5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.712 3.133 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 10 180.696 2.240 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.592 2.973 -5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 10 181.757 0.321 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.777 0.941 -4.625 1.00 0.00 H new ATOM 169 N ASP A 11 178.053 0.958 -7.413 1.00 0.00 N ATOM 170 CA ASP A 11 177.075 0.773 -8.477 1.00 0.00 C ATOM 171 C ASP A 11 176.481 -0.634 -8.443 1.00 0.00 C ATOM 172 O ASP A 11 175.393 -0.870 -8.969 1.00 0.00 O ATOM 173 CB ASP A 11 177.721 1.035 -9.840 1.00 0.00 C ATOM 174 CG ASP A 11 176.902 1.983 -10.695 1.00 0.00 C ATOM 175 OD1 ASP A 11 176.845 3.185 -10.361 1.00 0.00 O ATOM 176 OD2 ASP A 11 176.319 1.523 -11.699 1.00 0.00 O ATOM 0 H ASP A 11 179.022 0.980 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 11 176.267 1.487 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 11 178.717 1.452 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 11 177.846 0.089 -10.368 1.00 0.00 H new ATOM 181 N THR A 12 177.202 -1.568 -7.827 1.00 0.00 N ATOM 182 CA THR A 12 176.741 -2.948 -7.737 1.00 0.00 C ATOM 183 C THR A 12 175.758 -3.133 -6.584 1.00 0.00 C ATOM 184 O THR A 12 174.685 -3.709 -6.764 1.00 0.00 O ATOM 185 CB THR A 12 177.927 -3.897 -7.563 1.00 0.00 C ATOM 186 OG1 THR A 12 178.902 -3.669 -8.564 1.00 0.00 O ATOM 187 CG2 THR A 12 177.536 -5.357 -7.626 1.00 0.00 C ATOM 0 H THR A 12 178.104 -1.394 -7.385 1.00 0.00 H new ATOM 0 HA THR A 12 176.225 -3.184 -8.668 1.00 0.00 H new ATOM 0 HB THR A 12 178.325 -3.686 -6.570 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.538 -4.415 -8.577 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.423 -5.977 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 12 176.820 -5.576 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.083 -5.571 -8.594 1.00 0.00 H new ATOM 195 N ALA A 13 176.125 -2.644 -5.403 1.00 0.00 N ATOM 196 CA ALA A 13 175.267 -2.761 -4.229 1.00 0.00 C ATOM 197 C ALA A 13 173.957 -2.005 -4.424 1.00 0.00 C ATOM 198 O ALA A 13 172.902 -2.443 -3.966 1.00 0.00 O ATOM 199 CB ALA A 13 175.994 -2.249 -2.995 1.00 0.00 C ATOM 0 H ALA A 13 177.009 -2.164 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 13 175.028 -3.815 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.344 -2.341 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.899 -2.836 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.262 -1.202 -3.138 1.00 0.00 H new ATOM 205 N ILE A 14 174.033 -0.868 -5.105 1.00 0.00 N ATOM 206 CA ILE A 14 172.852 -0.054 -5.361 1.00 0.00 C ATOM 207 C ILE A 14 171.951 -0.718 -6.398 1.00 0.00 C ATOM 208 O ILE A 14 170.778 -0.980 -6.137 1.00 0.00 O ATOM 209 CB ILE A 14 173.236 1.363 -5.839 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.047 2.083 -4.760 1.00 0.00 C ATOM 211 CG2 ILE A 14 171.992 2.168 -6.193 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.707 3.355 -5.246 1.00 0.00 C ATOM 0 H ILE A 14 174.899 -0.490 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 14 172.310 0.034 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 14 173.849 1.270 -6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.391 2.321 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.814 1.407 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.285 3.163 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.447 1.663 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.352 2.254 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.264 3.811 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.389 3.122 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 14 173.944 4.050 -5.597 1.00 0.00 H new ATOM 224 N ASP A 15 172.506 -0.981 -7.578 1.00 0.00 N ATOM 225 CA ASP A 15 171.755 -1.609 -8.665 1.00 0.00 C ATOM 226 C ASP A 15 170.920 -2.790 -8.168 1.00 0.00 C ATOM 227 O ASP A 15 169.730 -2.894 -8.476 1.00 0.00 O ATOM 228 CB ASP A 15 172.711 -2.079 -9.763 1.00 0.00 C ATOM 229 CG ASP A 15 171.989 -2.411 -11.054 1.00 0.00 C ATOM 230 OD1 ASP A 15 171.344 -1.505 -11.624 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.069 -3.576 -11.496 1.00 0.00 O ATOM 0 H ASP A 15 173.477 -0.769 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 15 171.073 -0.860 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 15 173.452 -1.302 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.254 -2.959 -9.417 1.00 0.00 H new ATOM 236 N ILE A 16 171.543 -3.676 -7.396 1.00 0.00 N ATOM 237 CA ILE A 16 170.841 -4.840 -6.864 1.00 0.00 C ATOM 238 C ILE A 16 169.770 -4.424 -5.862 1.00 0.00 C ATOM 239 O ILE A 16 168.639 -4.908 -5.916 1.00 0.00 O ATOM 240 CB ILE A 16 171.802 -5.849 -6.196 1.00 0.00 C ATOM 241 CG1 ILE A 16 172.833 -5.132 -5.320 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.495 -6.694 -7.254 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.749 -5.510 -3.857 1.00 0.00 C ATOM 0 H ILE A 16 172.525 -3.612 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 16 170.371 -5.330 -7.716 1.00 0.00 H new ATOM 0 HB ILE A 16 171.215 -6.504 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.833 -5.360 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 16 172.695 -4.055 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.169 -7.401 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.748 -7.241 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 16 173.065 -6.047 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.508 -4.965 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 16 171.761 -5.257 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 16 172.917 -6.581 -3.748 1.00 0.00 H new ATOM 255 N ALA A 17 170.121 -3.513 -4.958 1.00 0.00 N ATOM 256 CA ALA A 17 169.174 -3.031 -3.962 1.00 0.00 C ATOM 257 C ALA A 17 168.015 -2.314 -4.640 1.00 0.00 C ATOM 258 O ALA A 17 166.866 -2.418 -4.211 1.00 0.00 O ATOM 259 CB ALA A 17 169.865 -2.106 -2.972 1.00 0.00 C ATOM 0 H ALA A 17 171.050 -3.097 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 17 168.781 -3.888 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.142 -1.756 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.665 -2.647 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.284 -1.252 -3.504 1.00 0.00 H new ATOM 265 N TYR A 18 168.329 -1.596 -5.714 1.00 0.00 N ATOM 266 CA TYR A 18 167.322 -0.869 -6.473 1.00 0.00 C ATOM 267 C TYR A 18 166.245 -1.830 -6.960 1.00 0.00 C ATOM 268 O TYR A 18 165.061 -1.491 -6.999 1.00 0.00 O ATOM 269 CB TYR A 18 167.974 -0.157 -7.661 1.00 0.00 C ATOM 270 CG TYR A 18 167.050 0.785 -8.399 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.256 0.332 -9.445 1.00 0.00 C ATOM 272 CD2 TYR A 18 166.978 2.128 -8.054 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.415 1.192 -10.126 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.141 2.995 -8.731 1.00 0.00 C ATOM 275 CZ TYR A 18 165.362 2.522 -9.765 1.00 0.00 C ATOM 276 OH TYR A 18 164.528 3.381 -10.443 1.00 0.00 O ATOM 0 H TYR A 18 169.277 -1.503 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 18 166.860 -0.122 -5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.838 0.404 -7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.346 -0.906 -8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.296 -0.709 -9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.586 2.501 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.803 0.824 -10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.098 4.037 -8.451 1.00 0.00 H new ATOM 0 HH TYR A 18 164.511 4.248 -9.987 1.00 0.00 H new ATOM 286 N ASP A 19 166.669 -3.038 -7.319 1.00 0.00 N ATOM 287 CA ASP A 19 165.747 -4.062 -7.792 1.00 0.00 C ATOM 288 C ASP A 19 164.904 -4.607 -6.641 1.00 0.00 C ATOM 289 O ASP A 19 163.782 -5.068 -6.848 1.00 0.00 O ATOM 290 CB ASP A 19 166.518 -5.203 -8.459 1.00 0.00 C ATOM 291 CG ASP A 19 166.822 -4.919 -9.917 1.00 0.00 C ATOM 292 OD1 ASP A 19 167.218 -3.777 -10.230 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.664 -5.840 -10.746 1.00 0.00 O ATOM 0 H ASP A 19 167.646 -3.331 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 19 165.080 -3.606 -8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.452 -5.370 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 19 165.938 -6.123 -8.384 1.00 0.00 H new ATOM 298 N ILE A 20 165.450 -4.548 -5.427 1.00 0.00 N ATOM 299 CA ILE A 20 164.739 -5.035 -4.248 1.00 0.00 C ATOM 300 C ILE A 20 163.624 -4.077 -3.843 1.00 0.00 C ATOM 301 O ILE A 20 162.580 -4.503 -3.355 1.00 0.00 O ATOM 302 CB ILE A 20 165.690 -5.235 -3.050 1.00 0.00 C ATOM 303 CG1 ILE A 20 166.881 -6.108 -3.449 1.00 0.00 C ATOM 304 CG2 ILE A 20 164.945 -5.858 -1.878 1.00 0.00 C ATOM 305 CD1 ILE A 20 167.884 -6.310 -2.332 1.00 0.00 C ATOM 0 H ILE A 20 166.378 -4.170 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 20 164.308 -5.999 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 20 166.066 -4.259 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.514 -7.081 -3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.385 -5.653 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.630 -5.992 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.128 -5.202 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.542 -6.826 -2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.701 -6.938 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.279 -5.344 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.395 -6.793 -1.487 1.00 0.00 H new ATOM 317 N PHE A 21 163.843 -2.786 -4.061 1.00 0.00 N ATOM 318 CA PHE A 21 162.847 -1.775 -3.730 1.00 0.00 C ATOM 319 C PHE A 21 161.753 -1.737 -4.794 1.00 0.00 C ATOM 320 O PHE A 21 160.632 -1.304 -4.536 1.00 0.00 O ATOM 321 CB PHE A 21 163.518 -0.404 -3.614 1.00 0.00 C ATOM 322 CG PHE A 21 162.573 0.711 -3.265 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.843 0.678 -2.088 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.423 1.798 -4.112 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.979 1.707 -1.764 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.562 2.830 -3.793 1.00 0.00 C ATOM 327 CZ PHE A 21 160.839 2.784 -2.617 1.00 0.00 C ATOM 0 H PHE A 21 164.702 -2.414 -4.466 1.00 0.00 H new ATOM 0 HA PHE A 21 162.390 -2.031 -2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.299 -0.456 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.008 -0.169 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.950 -0.161 -1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 21 162.986 1.839 -5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.414 1.669 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.454 3.671 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.165 3.589 -2.365 1.00 0.00 H new ATOM 337 N LEU A 22 162.094 -2.196 -5.992 1.00 0.00 N ATOM 338 CA LEU A 22 161.157 -2.222 -7.107 1.00 0.00 C ATOM 339 C LEU A 22 160.221 -3.422 -7.014 1.00 0.00 C ATOM 340 O LEU A 22 159.064 -3.357 -7.429 1.00 0.00 O ATOM 341 CB LEU A 22 161.934 -2.293 -8.421 1.00 0.00 C ATOM 342 CG LEU A 22 161.678 -1.159 -9.410 1.00 0.00 C ATOM 343 CD1 LEU A 22 161.792 0.194 -8.723 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.660 -1.265 -10.563 1.00 0.00 C ATOM 0 H LEU A 22 163.021 -2.558 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 22 160.557 -1.313 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 22 162.999 -2.314 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.695 -3.237 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 22 160.663 -1.246 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.606 0.987 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.058 0.257 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.794 0.309 -8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.479 -0.456 -11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 22 163.678 -1.192 -10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 22 162.529 -2.223 -11.066 1.00 0.00 H new ATOM 356 N GLU A 23 160.741 -4.520 -6.484 1.00 0.00 N ATOM 357 CA GLU A 23 159.965 -5.750 -6.351 1.00 0.00 C ATOM 358 C GLU A 23 159.345 -5.897 -4.961 1.00 0.00 C ATOM 359 O GLU A 23 158.250 -6.442 -4.822 1.00 0.00 O ATOM 360 CB GLU A 23 160.850 -6.962 -6.653 1.00 0.00 C ATOM 361 CG GLU A 23 161.957 -7.177 -5.635 1.00 0.00 C ATOM 362 CD GLU A 23 162.991 -8.183 -6.103 1.00 0.00 C ATOM 363 OE1 GLU A 23 163.860 -7.807 -6.916 1.00 0.00 O ATOM 364 OE2 GLU A 23 162.931 -9.348 -5.655 1.00 0.00 O ATOM 0 H GLU A 23 161.698 -4.587 -6.138 1.00 0.00 H new ATOM 0 HA GLU A 23 159.148 -5.697 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.227 -7.855 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.295 -6.839 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.448 -6.225 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.521 -7.519 -4.696 1.00 0.00 H new ATOM 371 N MET A 24 160.045 -5.424 -3.933 1.00 0.00 N ATOM 372 CA MET A 24 159.542 -5.529 -2.565 1.00 0.00 C ATOM 373 C MET A 24 158.570 -4.400 -2.238 1.00 0.00 C ATOM 374 O MET A 24 157.468 -4.643 -1.748 1.00 0.00 O ATOM 375 CB MET A 24 160.693 -5.520 -1.558 1.00 0.00 C ATOM 376 CG MET A 24 161.616 -6.723 -1.674 1.00 0.00 C ATOM 377 SD MET A 24 162.554 -7.029 -0.164 1.00 0.00 S ATOM 378 CE MET A 24 161.244 -7.056 1.057 1.00 0.00 C ATOM 0 H MET A 24 160.954 -4.968 -4.019 1.00 0.00 H new ATOM 0 HA MET A 24 159.009 -6.477 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.277 -4.610 -1.696 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.281 -5.485 -0.549 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.026 -7.607 -1.915 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.308 -6.566 -2.501 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.597 -7.556 1.959 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.952 -6.034 1.300 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.385 -7.594 0.657 1.00 0.00 H new ATOM 388 N ALA A 25 158.984 -3.166 -2.504 1.00 0.00 N ATOM 389 CA ALA A 25 158.139 -2.006 -2.225 1.00 0.00 C ATOM 390 C ALA A 25 156.780 -2.134 -2.904 1.00 0.00 C ATOM 391 O ALA A 25 156.684 -2.569 -4.052 1.00 0.00 O ATOM 392 CB ALA A 25 158.830 -0.724 -2.664 1.00 0.00 C ATOM 0 H ALA A 25 159.893 -2.942 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 25 157.975 -1.966 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.186 0.129 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.770 -0.614 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.029 -0.766 -3.735 1.00 0.00 H new ATOM 398 N GLY A 26 155.730 -1.750 -2.185 1.00 0.00 N ATOM 399 CA GLY A 26 154.386 -1.827 -2.729 1.00 0.00 C ATOM 400 C GLY A 26 153.512 -2.822 -1.988 1.00 0.00 C ATOM 401 O GLY A 26 152.510 -3.295 -2.525 1.00 0.00 O ATOM 0 H GLY A 26 155.786 -1.386 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.924 -0.841 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.439 -2.109 -3.781 1.00 0.00 H new ATOM 405 N GLU A 27 153.890 -3.143 -0.753 1.00 0.00 N ATOM 406 CA GLU A 27 153.130 -4.090 0.057 1.00 0.00 C ATOM 407 C GLU A 27 153.452 -3.928 1.540 1.00 0.00 C ATOM 408 O GLU A 27 152.559 -3.954 2.386 1.00 0.00 O ATOM 409 CB GLU A 27 153.430 -5.525 -0.384 1.00 0.00 C ATOM 410 CG GLU A 27 152.826 -5.889 -1.730 1.00 0.00 C ATOM 411 CD GLU A 27 152.889 -7.377 -2.013 1.00 0.00 C ATOM 412 OE1 GLU A 27 152.500 -8.167 -1.127 1.00 0.00 O ATOM 413 OE2 GLU A 27 153.327 -7.752 -3.121 1.00 0.00 O ATOM 0 H GLU A 27 154.716 -2.762 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 27 152.070 -3.882 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 27 154.510 -5.663 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 27 153.053 -6.214 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 27 151.787 -5.561 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 27 153.352 -5.350 -2.518 1.00 0.00 H new ATOM 420 N ASN A 28 154.735 -3.764 1.848 1.00 0.00 N ATOM 421 CA ASN A 28 155.176 -3.603 3.229 1.00 0.00 C ATOM 422 C ASN A 28 154.882 -2.196 3.742 1.00 0.00 C ATOM 423 O ASN A 28 154.191 -2.023 4.746 1.00 0.00 O ATOM 424 CB ASN A 28 156.673 -3.898 3.345 1.00 0.00 C ATOM 425 CG ASN A 28 156.948 -5.327 3.771 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.739 -6.267 3.005 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.420 -5.496 5.001 1.00 0.00 N ATOM 0 H ASN A 28 155.487 -3.739 1.160 1.00 0.00 H new ATOM 0 HA ASN A 28 154.621 -4.313 3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.154 -3.709 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.121 -3.214 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.624 -6.434 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.578 -4.687 5.602 1.00 0.00 H new ATOM 434 N LEU A 29 155.413 -1.194 3.050 1.00 0.00 N ATOM 435 CA LEU A 29 155.210 0.197 3.438 1.00 0.00 C ATOM 436 C LEU A 29 153.735 0.589 3.305 1.00 0.00 C ATOM 437 O LEU A 29 152.918 -0.199 2.828 1.00 0.00 O ATOM 438 CB LEU A 29 156.099 1.114 2.586 1.00 0.00 C ATOM 439 CG LEU A 29 156.766 2.266 3.349 1.00 0.00 C ATOM 440 CD1 LEU A 29 158.167 2.532 2.822 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.925 3.520 3.262 1.00 0.00 C ATOM 0 H LEU A 29 155.988 -1.319 2.217 1.00 0.00 H new ATOM 0 HA LEU A 29 155.492 0.313 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.877 0.509 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.496 1.533 1.781 1.00 0.00 H new ATOM 0 HG LEU A 29 156.846 1.972 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.616 3.353 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.777 1.636 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.114 2.798 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 29 156.415 4.325 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.810 3.809 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.943 3.331 3.697 1.00 0.00 H new ATOM 453 N ASP A 30 153.402 1.807 3.727 1.00 0.00 N ATOM 454 CA ASP A 30 152.028 2.296 3.651 1.00 0.00 C ATOM 455 C ASP A 30 151.661 2.681 2.216 1.00 0.00 C ATOM 456 O ASP A 30 152.531 3.019 1.413 1.00 0.00 O ATOM 457 CB ASP A 30 151.838 3.494 4.584 1.00 0.00 C ATOM 458 CG ASP A 30 150.559 3.397 5.394 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.108 2.263 5.659 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.009 4.456 5.763 1.00 0.00 O ATOM 0 H ASP A 30 154.065 2.473 4.125 1.00 0.00 H new ATOM 0 HA ASP A 30 151.365 1.491 3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 30 152.690 3.563 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.824 4.411 3.995 1.00 0.00 H new ATOM 465 N PRO A 31 150.360 2.623 1.874 1.00 0.00 N ATOM 466 CA PRO A 31 149.872 2.956 0.526 1.00 0.00 C ATOM 467 C PRO A 31 150.277 4.356 0.070 1.00 0.00 C ATOM 468 O PRO A 31 150.922 4.516 -0.965 1.00 0.00 O ATOM 469 CB PRO A 31 148.349 2.865 0.663 1.00 0.00 C ATOM 470 CG PRO A 31 148.123 1.963 1.827 1.00 0.00 C ATOM 471 CD PRO A 31 149.263 2.218 2.771 1.00 0.00 C ATOM 0 HA PRO A 31 150.294 2.286 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 31 147.908 3.847 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.894 2.463 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.166 2.173 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.101 0.919 1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.022 3.000 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.519 1.326 3.343 1.00 0.00 H new ATOM 479 N ALA A 32 149.886 5.369 0.839 1.00 0.00 N ATOM 480 CA ALA A 32 150.202 6.758 0.503 1.00 0.00 C ATOM 481 C ALA A 32 151.659 6.916 0.073 1.00 0.00 C ATOM 482 O ALA A 32 151.956 7.569 -0.928 1.00 0.00 O ATOM 483 CB ALA A 32 149.899 7.665 1.686 1.00 0.00 C ATOM 0 H ALA A 32 149.350 5.256 1.699 1.00 0.00 H new ATOM 0 HA ALA A 32 149.576 7.048 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.138 8.696 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 32 148.842 7.591 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.500 7.359 2.542 1.00 0.00 H new ATOM 489 N ASP A 33 152.561 6.316 0.840 1.00 0.00 N ATOM 490 CA ASP A 33 153.988 6.385 0.549 1.00 0.00 C ATOM 491 C ASP A 33 154.308 5.740 -0.796 1.00 0.00 C ATOM 492 O ASP A 33 155.279 6.111 -1.457 1.00 0.00 O ATOM 493 CB ASP A 33 154.778 5.696 1.660 1.00 0.00 C ATOM 494 CG ASP A 33 155.247 6.666 2.728 1.00 0.00 C ATOM 495 OD1 ASP A 33 155.177 7.890 2.491 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.682 6.201 3.802 1.00 0.00 O ATOM 0 H ASP A 33 152.328 5.774 1.672 1.00 0.00 H new ATOM 0 HA ASP A 33 154.275 7.435 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.157 4.927 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.642 5.191 1.228 1.00 0.00 H new ATOM 501 N ILE A 34 153.486 4.777 -1.200 1.00 0.00 N ATOM 502 CA ILE A 34 153.683 4.089 -2.468 1.00 0.00 C ATOM 503 C ILE A 34 153.408 5.031 -3.637 1.00 0.00 C ATOM 504 O ILE A 34 154.206 5.131 -4.569 1.00 0.00 O ATOM 505 CB ILE A 34 152.777 2.843 -2.577 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.158 1.820 -1.506 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.870 2.224 -3.964 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.119 0.739 -1.301 1.00 0.00 C ATOM 0 H ILE A 34 152.678 4.456 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 34 154.722 3.763 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 34 151.745 3.153 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.104 1.355 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.321 2.339 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.223 1.348 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.554 2.953 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.900 1.926 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.458 0.050 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.177 1.193 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.973 0.193 -2.233 1.00 0.00 H new ATOM 520 N LEU A 35 152.277 5.725 -3.573 1.00 0.00 N ATOM 521 CA LEU A 35 151.896 6.669 -4.619 1.00 0.00 C ATOM 522 C LEU A 35 152.973 7.735 -4.800 1.00 0.00 C ATOM 523 O LEU A 35 153.572 7.850 -5.869 1.00 0.00 O ATOM 524 CB LEU A 35 150.559 7.330 -4.275 1.00 0.00 C ATOM 525 CG LEU A 35 150.096 8.408 -5.258 1.00 0.00 C ATOM 526 CD1 LEU A 35 149.054 7.848 -6.215 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.541 9.612 -4.510 1.00 0.00 C ATOM 0 H LEU A 35 151.607 5.652 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 35 151.790 6.119 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.793 6.557 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.636 7.774 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 35 150.958 8.733 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.737 8.629 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 35 149.484 7.019 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.193 7.494 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.217 10.367 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.692 9.302 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.316 10.030 -3.867 1.00 0.00 H new ATOM 539 N LEU A 36 153.210 8.515 -3.746 1.00 0.00 N ATOM 540 CA LEU A 36 154.215 9.579 -3.780 1.00 0.00 C ATOM 541 C LEU A 36 155.510 9.095 -4.430 1.00 0.00 C ATOM 542 O LEU A 36 156.089 9.782 -5.272 1.00 0.00 O ATOM 543 CB LEU A 36 154.499 10.081 -2.363 1.00 0.00 C ATOM 544 CG LEU A 36 155.172 11.452 -2.285 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.128 12.556 -2.225 1.00 0.00 C ATOM 546 CD2 LEU A 36 156.097 11.524 -1.079 1.00 0.00 C ATOM 0 H LEU A 36 152.719 8.430 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 36 153.818 10.398 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.559 10.123 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.132 9.353 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 36 155.770 11.594 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.625 13.524 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.506 12.518 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 36 153.503 12.418 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 36 156.567 12.507 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.521 11.360 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.866 10.757 -1.164 1.00 0.00 H new ATOM 558 N PHE A 37 155.951 7.905 -4.040 1.00 0.00 N ATOM 559 CA PHE A 37 157.168 7.320 -4.590 1.00 0.00 C ATOM 560 C PHE A 37 157.042 7.143 -6.103 1.00 0.00 C ATOM 561 O PHE A 37 158.014 7.303 -6.840 1.00 0.00 O ATOM 562 CB PHE A 37 157.456 5.974 -3.907 1.00 0.00 C ATOM 563 CG PHE A 37 158.157 4.970 -4.781 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.313 5.312 -5.464 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.657 3.685 -4.920 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.957 4.391 -6.268 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.296 2.760 -5.723 1.00 0.00 C ATOM 568 CZ PHE A 37 159.448 3.114 -6.398 1.00 0.00 C ATOM 0 H PHE A 37 155.483 7.325 -3.344 1.00 0.00 H new ATOM 0 HA PHE A 37 158.002 7.995 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.065 6.153 -3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.514 5.545 -3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.715 6.310 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.757 3.403 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.858 4.670 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.896 1.762 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.950 2.393 -7.026 1.00 0.00 H new ATOM 578 N ASN A 38 155.838 6.809 -6.556 1.00 0.00 N ATOM 579 CA ASN A 38 155.585 6.608 -7.978 1.00 0.00 C ATOM 580 C ASN A 38 155.683 7.925 -8.743 1.00 0.00 C ATOM 581 O ASN A 38 156.415 8.029 -9.727 1.00 0.00 O ATOM 582 CB ASN A 38 154.204 5.985 -8.188 1.00 0.00 C ATOM 583 CG ASN A 38 154.087 4.613 -7.554 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.957 4.192 -6.792 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.006 3.907 -7.866 1.00 0.00 N ATOM 0 H ASN A 38 155.022 6.672 -5.959 1.00 0.00 H new ATOM 0 HA ASN A 38 156.346 5.929 -8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.444 6.643 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 38 154.002 5.907 -9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.872 2.977 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 38 152.310 4.295 -8.502 1.00 0.00 H new ATOM 592 N LEU A 39 154.938 8.926 -8.287 1.00 0.00 N ATOM 593 CA LEU A 39 154.938 10.235 -8.931 1.00 0.00 C ATOM 594 C LEU A 39 156.309 10.896 -8.827 1.00 0.00 C ATOM 595 O LEU A 39 156.798 11.486 -9.790 1.00 0.00 O ATOM 596 CB LEU A 39 153.873 11.136 -8.301 1.00 0.00 C ATOM 597 CG LEU A 39 152.430 10.777 -8.657 1.00 0.00 C ATOM 598 CD1 LEU A 39 152.269 10.642 -10.163 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.015 9.491 -7.957 1.00 0.00 C ATOM 0 H LEU A 39 154.326 8.856 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 39 154.706 10.092 -9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.984 11.101 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 154.062 12.165 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 39 151.779 11.582 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 151.236 10.386 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.527 11.586 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.929 9.856 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.985 9.249 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.670 8.678 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 39 152.092 9.623 -6.878 1.00 0.00 H new ATOM 611 N GLN A 40 156.925 10.792 -7.655 1.00 0.00 N ATOM 612 CA GLN A 40 158.239 11.379 -7.429 1.00 0.00 C ATOM 613 C GLN A 40 159.341 10.442 -7.934 1.00 0.00 C ATOM 614 O GLN A 40 159.222 9.867 -9.016 1.00 0.00 O ATOM 615 CB GLN A 40 158.427 11.687 -5.940 1.00 0.00 C ATOM 616 CG GLN A 40 157.248 12.402 -5.305 1.00 0.00 C ATOM 617 CD GLN A 40 157.229 13.886 -5.615 1.00 0.00 C ATOM 618 OE1 GLN A 40 158.190 14.431 -6.157 1.00 0.00 O ATOM 619 NE2 GLN A 40 156.130 14.549 -5.271 1.00 0.00 N ATOM 0 H GLN A 40 156.535 10.307 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 40 158.308 12.312 -7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.604 10.754 -5.406 1.00 0.00 H new ATOM 0 HB3 GLN A 40 159.320 12.299 -5.816 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.321 11.949 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.281 12.261 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 40 155.357 14.057 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 40 156.060 15.550 -5.455 1.00 0.00 H new ATOM 628 N PHE A 41 160.413 10.288 -7.153 1.00 0.00 N ATOM 629 CA PHE A 41 161.527 9.420 -7.534 1.00 0.00 C ATOM 630 C PHE A 41 162.352 10.047 -8.654 1.00 0.00 C ATOM 631 O PHE A 41 163.551 10.279 -8.497 1.00 0.00 O ATOM 632 CB PHE A 41 161.016 8.044 -7.966 1.00 0.00 C ATOM 633 CG PHE A 41 161.912 6.913 -7.546 1.00 0.00 C ATOM 634 CD1 PHE A 41 162.443 6.870 -6.266 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.221 5.893 -8.431 1.00 0.00 C ATOM 636 CE1 PHE A 41 163.266 5.830 -5.877 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.043 4.851 -8.047 1.00 0.00 C ATOM 638 CZ PHE A 41 163.566 4.819 -6.769 1.00 0.00 C ATOM 0 H PHE A 41 160.532 10.754 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 41 162.168 9.299 -6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 41 160.023 7.886 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.909 8.029 -9.051 1.00 0.00 H new ATOM 0 HD1 PHE A 41 162.211 7.658 -5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.815 5.913 -9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.674 5.808 -4.877 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.277 4.062 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.208 4.005 -6.468 1.00 0.00 H new ATOM 648 N GLU A 42 161.704 10.326 -9.781 1.00 0.00 N ATOM 649 CA GLU A 42 162.382 10.933 -10.919 1.00 0.00 C ATOM 650 C GLU A 42 162.894 12.324 -10.557 1.00 0.00 C ATOM 651 O GLU A 42 164.015 12.695 -10.905 1.00 0.00 O ATOM 652 CB GLU A 42 161.437 11.019 -12.118 1.00 0.00 C ATOM 653 CG GLU A 42 162.073 11.639 -13.352 1.00 0.00 C ATOM 654 CD GLU A 42 161.306 11.330 -14.622 1.00 0.00 C ATOM 655 OE1 GLU A 42 160.137 11.758 -14.728 1.00 0.00 O ATOM 656 OE2 GLU A 42 161.872 10.659 -15.510 1.00 0.00 O ATOM 0 H GLU A 42 160.712 10.141 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 42 163.233 10.306 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 42 161.085 10.017 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.561 11.604 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.132 12.720 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 42 163.095 11.274 -13.452 1.00 0.00 H new ATOM 663 N GLU A 43 162.063 13.087 -9.855 1.00 0.00 N ATOM 664 CA GLU A 43 162.427 14.437 -9.441 1.00 0.00 C ATOM 665 C GLU A 43 163.167 14.416 -8.107 1.00 0.00 C ATOM 666 O GLU A 43 164.225 15.030 -7.964 1.00 0.00 O ATOM 667 CB GLU A 43 161.178 15.315 -9.334 1.00 0.00 C ATOM 668 CG GLU A 43 160.956 16.207 -10.544 1.00 0.00 C ATOM 669 CD GLU A 43 160.501 17.602 -10.164 1.00 0.00 C ATOM 670 OE1 GLU A 43 159.284 17.793 -9.955 1.00 0.00 O ATOM 671 OE2 GLU A 43 161.360 18.504 -10.074 1.00 0.00 O ATOM 0 H GLU A 43 161.132 12.793 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 43 163.092 14.856 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.305 14.676 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.257 15.938 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.881 16.274 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 43 160.211 15.751 -11.195 1.00 0.00 H new ATOM 678 N ARG A 44 162.606 13.706 -7.132 1.00 0.00 N ATOM 679 CA ARG A 44 163.216 13.608 -5.812 1.00 0.00 C ATOM 680 C ARG A 44 163.606 12.166 -5.503 1.00 0.00 C ATOM 681 O ARG A 44 163.049 11.540 -4.604 1.00 0.00 O ATOM 682 CB ARG A 44 162.255 14.131 -4.743 1.00 0.00 C ATOM 683 CG ARG A 44 162.413 15.616 -4.457 1.00 0.00 C ATOM 684 CD ARG A 44 161.587 16.458 -5.416 1.00 0.00 C ATOM 685 NE ARG A 44 161.875 17.884 -5.279 1.00 0.00 N ATOM 686 CZ ARG A 44 161.487 18.806 -6.157 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.796 18.457 -7.235 1.00 0.00 N ATOM 688 NH2 ARG A 44 161.791 20.081 -5.956 1.00 0.00 N ATOM 0 H ARG A 44 161.731 13.191 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 44 164.118 14.219 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 44 161.231 13.938 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.413 13.573 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 44 162.107 15.825 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 44 163.464 15.894 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 44 161.789 16.144 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 44 160.527 16.283 -5.232 1.00 0.00 H new ATOM 0 HE ARG A 44 162.404 18.191 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 44 160.559 17.478 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.501 19.168 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 44 162.322 20.354 -5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 44 161.494 20.788 -6.628 1.00 0.00 H new ATOM 702 N GLY A 45 164.571 11.646 -6.252 1.00 0.00 N ATOM 703 CA GLY A 45 165.022 10.284 -6.040 1.00 0.00 C ATOM 704 C GLY A 45 166.083 10.191 -4.963 1.00 0.00 C ATOM 705 O GLY A 45 167.029 10.978 -4.944 1.00 0.00 O ATOM 0 H GLY A 45 165.049 12.144 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 45 164.171 9.661 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 45 165.419 9.886 -6.974 1.00 0.00 H new ATOM 709 N GLY A 46 165.926 9.226 -4.064 1.00 0.00 N ATOM 710 CA GLY A 46 166.887 9.051 -2.991 1.00 0.00 C ATOM 711 C GLY A 46 167.305 7.605 -2.821 1.00 0.00 C ATOM 712 O GLY A 46 166.490 6.755 -2.466 1.00 0.00 O ATOM 0 H GLY A 46 165.151 8.562 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.768 9.660 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 166.456 9.414 -2.058 1.00 0.00 H new ATOM 716 N VAL A 47 168.580 7.326 -3.068 1.00 0.00 N ATOM 717 CA VAL A 47 169.108 5.974 -2.931 1.00 0.00 C ATOM 718 C VAL A 47 170.591 6.015 -2.579 1.00 0.00 C ATOM 719 O VAL A 47 171.444 5.644 -3.387 1.00 0.00 O ATOM 720 CB VAL A 47 168.908 5.150 -4.225 1.00 0.00 C ATOM 721 CG1 VAL A 47 167.557 4.451 -4.204 1.00 0.00 C ATOM 722 CG2 VAL A 47 169.038 6.038 -5.455 1.00 0.00 C ATOM 0 H VAL A 47 169.267 8.019 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 47 168.555 5.489 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 47 169.688 4.390 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 47 167.431 3.875 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 47 167.507 3.781 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 47 166.764 5.195 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 47 168.894 5.438 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 47 168.283 6.824 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 47 170.030 6.489 -5.475 1.00 0.00 H new ATOM 732 N GLU A 48 170.895 6.486 -1.374 1.00 0.00 N ATOM 733 CA GLU A 48 172.278 6.596 -0.924 1.00 0.00 C ATOM 734 C GLU A 48 172.781 5.284 -0.331 1.00 0.00 C ATOM 735 O GLU A 48 172.084 4.632 0.447 1.00 0.00 O ATOM 736 CB GLU A 48 172.409 7.716 0.108 1.00 0.00 C ATOM 737 CG GLU A 48 173.848 8.038 0.476 1.00 0.00 C ATOM 738 CD GLU A 48 174.651 8.549 -0.705 1.00 0.00 C ATOM 739 OE1 GLU A 48 174.277 9.599 -1.267 1.00 0.00 O ATOM 740 OE2 GLU A 48 175.654 7.899 -1.066 1.00 0.00 O ATOM 0 H GLU A 48 170.203 6.797 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 48 172.892 6.830 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.932 8.615 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.867 7.433 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 48 173.858 8.786 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 48 174.326 7.144 0.876 1.00 0.00 H new ATOM 747 N PHE A 49 174.005 4.914 -0.695 1.00 0.00 N ATOM 748 CA PHE A 49 174.619 3.691 -0.193 1.00 0.00 C ATOM 749 C PHE A 49 175.410 3.982 1.078 1.00 0.00 C ATOM 750 O PHE A 49 176.598 4.299 1.023 1.00 0.00 O ATOM 751 CB PHE A 49 175.537 3.081 -1.253 1.00 0.00 C ATOM 752 CG PHE A 49 176.206 1.814 -0.805 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.553 0.597 -0.906 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.487 1.843 -0.278 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.165 -0.569 -0.490 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.104 0.679 0.139 1.00 0.00 C ATOM 757 CZ PHE A 49 177.442 -0.528 0.033 1.00 0.00 C ATOM 0 H PHE A 49 174.592 5.446 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 49 173.829 2.977 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 49 174.956 2.878 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.301 3.810 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.554 0.559 -1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.009 2.785 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.645 -1.512 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.103 0.713 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.922 -1.439 0.359 1.00 0.00 H new ATOM 767 N VAL A 50 174.740 3.881 2.220 1.00 0.00 N ATOM 768 CA VAL A 50 175.377 4.144 3.504 1.00 0.00 C ATOM 769 C VAL A 50 175.997 2.881 4.089 1.00 0.00 C ATOM 770 O VAL A 50 175.830 1.784 3.552 1.00 0.00 O ATOM 771 CB VAL A 50 174.376 4.727 4.518 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.877 6.087 4.057 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.214 3.768 4.734 1.00 0.00 C ATOM 0 H VAL A 50 173.756 3.619 2.283 1.00 0.00 H new ATOM 0 HA VAL A 50 176.165 4.874 3.317 1.00 0.00 H new ATOM 0 HB VAL A 50 174.889 4.860 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.171 6.482 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.720 6.771 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.382 5.985 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.517 4.197 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.700 3.600 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.591 2.819 5.116 1.00 0.00 H new ATOM 783 N GLU A 51 176.715 3.045 5.195 1.00 0.00 N ATOM 784 CA GLU A 51 177.366 1.924 5.860 1.00 0.00 C ATOM 785 C GLU A 51 176.479 1.351 6.960 1.00 0.00 C ATOM 786 O GLU A 51 175.328 1.756 7.118 1.00 0.00 O ATOM 787 CB GLU A 51 178.709 2.365 6.447 1.00 0.00 C ATOM 788 CG GLU A 51 178.581 3.404 7.549 1.00 0.00 C ATOM 789 CD GLU A 51 178.805 4.816 7.046 1.00 0.00 C ATOM 790 OE1 GLU A 51 179.913 5.099 6.542 1.00 0.00 O ATOM 791 OE2 GLU A 51 177.873 5.640 7.156 1.00 0.00 O ATOM 0 H GLU A 51 176.861 3.946 5.650 1.00 0.00 H new ATOM 0 HA GLU A 51 177.539 1.144 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.228 1.491 6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.330 2.770 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 177.589 3.334 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.302 3.184 8.337 1.00 0.00 H new ATOM 798 N THR A 52 177.024 0.404 7.715 1.00 0.00 N ATOM 799 CA THR A 52 176.286 -0.233 8.798 1.00 0.00 C ATOM 800 C THR A 52 176.484 0.516 10.115 1.00 0.00 C ATOM 801 O THR A 52 177.387 1.342 10.245 1.00 0.00 O ATOM 802 CB THR A 52 176.730 -1.693 8.937 1.00 0.00 C ATOM 803 OG1 THR A 52 176.390 -2.427 7.775 1.00 0.00 O ATOM 804 CG2 THR A 52 176.118 -2.410 10.123 1.00 0.00 C ATOM 0 H THR A 52 177.977 0.060 7.596 1.00 0.00 H new ATOM 0 HA THR A 52 175.223 -0.204 8.558 1.00 0.00 H new ATOM 0 HB THR A 52 177.809 -1.648 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.027 -2.221 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.480 -3.438 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.400 -1.898 11.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.032 -2.411 10.027 1.00 0.00 H new ATOM 812 N ALA A 53 175.630 0.214 11.088 1.00 0.00 N ATOM 813 CA ALA A 53 175.702 0.847 12.399 1.00 0.00 C ATOM 814 C ALA A 53 175.869 -0.193 13.500 1.00 0.00 C ATOM 815 O ALA A 53 175.637 -1.382 13.284 1.00 0.00 O ATOM 816 CB ALA A 53 174.458 1.687 12.649 1.00 0.00 C ATOM 0 H ALA A 53 174.878 -0.468 10.992 1.00 0.00 H new ATOM 0 HA ALA A 53 176.576 1.499 12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.526 2.154 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.381 2.460 11.885 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.575 1.050 12.610 1.00 0.00 H new ATOM 822 N ASP A 54 176.269 0.263 14.682 1.00 0.00 N ATOM 823 CA ASP A 54 176.463 -0.629 15.818 1.00 0.00 C ATOM 824 C ASP A 54 175.175 -0.766 16.621 1.00 0.00 C ATOM 825 O ASP A 54 174.905 -1.815 17.207 1.00 0.00 O ATOM 826 CB ASP A 54 177.586 -0.108 16.717 1.00 0.00 C ATOM 827 CG ASP A 54 178.887 0.087 15.963 1.00 0.00 C ATOM 828 OD1 ASP A 54 178.842 0.597 14.824 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.951 -0.271 16.511 1.00 0.00 O ATOM 0 H ASP A 54 176.465 1.245 14.878 1.00 0.00 H new ATOM 0 HA ASP A 54 176.741 -1.611 15.437 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.282 0.839 17.162 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.746 -0.808 17.537 1.00 0.00 H new ATOM 834 N ASP A 55 174.383 0.301 16.643 1.00 0.00 N ATOM 835 CA ASP A 55 173.122 0.301 17.375 1.00 0.00 C ATOM 836 C ASP A 55 171.957 -0.061 16.458 1.00 0.00 C ATOM 837 O ASP A 55 170.889 0.549 16.523 1.00 0.00 O ATOM 838 CB ASP A 55 172.880 1.671 18.013 1.00 0.00 C ATOM 839 CG ASP A 55 173.479 1.775 19.403 1.00 0.00 C ATOM 840 OD1 ASP A 55 173.261 0.850 20.213 1.00 0.00 O ATOM 841 OD2 ASP A 55 174.164 2.781 19.680 1.00 0.00 O ATOM 0 H ASP A 55 174.592 1.176 16.163 1.00 0.00 H new ATOM 0 HA ASP A 55 173.187 -0.452 18.160 1.00 0.00 H new ATOM 0 HB2 ASP A 55 173.308 2.446 17.377 1.00 0.00 H new ATOM 0 HB3 ASP A 55 171.808 1.859 18.067 1.00 0.00 H new ATOM 846 N TRP A 56 172.168 -1.060 15.606 1.00 0.00 N ATOM 847 CA TRP A 56 171.133 -1.503 14.680 1.00 0.00 C ATOM 848 C TRP A 56 169.964 -2.133 15.433 1.00 0.00 C ATOM 849 O TRP A 56 168.830 -2.118 14.958 1.00 0.00 O ATOM 850 CB TRP A 56 171.712 -2.502 13.674 1.00 0.00 C ATOM 851 CG TRP A 56 171.775 -1.962 12.278 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.899 -1.686 11.555 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.664 -1.633 11.436 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.555 -1.201 10.316 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.189 -1.160 10.218 1.00 0.00 C ATOM 856 CE3 TRP A 56 169.278 -1.692 11.595 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.374 -0.749 9.166 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.470 -1.285 10.550 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.019 -0.820 9.350 1.00 0.00 C ATOM 0 H TRP A 56 173.045 -1.577 15.538 1.00 0.00 H new ATOM 0 HA TRP A 56 170.764 -0.631 14.140 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.715 -2.788 13.992 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.105 -3.407 13.680 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.911 -1.828 11.905 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.210 -0.918 9.588 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.845 -2.049 12.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.795 -0.388 8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.397 -1.327 10.662 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.360 -0.511 8.552 1.00 0.00 H new ATOM 870 N GLU A 57 170.260 -2.698 16.602 1.00 0.00 N ATOM 871 CA GLU A 57 169.243 -3.348 17.430 1.00 0.00 C ATOM 872 C GLU A 57 168.149 -2.365 17.849 1.00 0.00 C ATOM 873 O GLU A 57 168.011 -2.034 19.027 1.00 0.00 O ATOM 874 CB GLU A 57 169.880 -3.982 18.674 1.00 0.00 C ATOM 875 CG GLU A 57 171.012 -3.166 19.285 1.00 0.00 C ATOM 876 CD GLU A 57 170.634 -1.716 19.520 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.423 -0.988 18.527 1.00 0.00 O ATOM 878 OE2 GLU A 57 170.549 -1.309 20.697 1.00 0.00 O ATOM 0 H GLU A 57 171.199 -2.719 16.999 1.00 0.00 H new ATOM 0 HA GLU A 57 168.784 -4.131 16.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.107 -4.130 19.428 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.261 -4.969 18.410 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.308 -3.617 20.232 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.880 -3.208 18.627 1.00 0.00 H new ATOM 885 N GLU A 58 167.369 -1.906 16.876 1.00 0.00 N ATOM 886 CA GLU A 58 166.287 -0.966 17.135 1.00 0.00 C ATOM 887 C GLU A 58 165.226 -1.052 16.041 1.00 0.00 C ATOM 888 O GLU A 58 164.044 -1.251 16.322 1.00 0.00 O ATOM 889 CB GLU A 58 166.839 0.456 17.218 1.00 0.00 C ATOM 890 CG GLU A 58 167.052 0.944 18.642 1.00 0.00 C ATOM 891 CD GLU A 58 167.318 2.435 18.713 1.00 0.00 C ATOM 892 OE1 GLU A 58 168.356 2.880 18.179 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.488 3.158 19.304 1.00 0.00 O ATOM 0 H GLU A 58 167.468 -2.172 15.896 1.00 0.00 H new ATOM 0 HA GLU A 58 165.824 -1.226 18.087 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.787 0.501 16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 58 166.153 1.133 16.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 166.171 0.707 19.239 1.00 0.00 H new ATOM 0 HG3 GLU A 58 167.891 0.407 19.085 1.00 0.00 H new ATOM 900 N GLU A 59 165.658 -0.900 14.792 1.00 0.00 N ATOM 901 CA GLU A 59 164.748 -0.959 13.654 1.00 0.00 C ATOM 902 C GLU A 59 164.431 -2.405 13.283 1.00 0.00 C ATOM 903 O GLU A 59 163.299 -2.863 13.443 1.00 0.00 O ATOM 904 CB GLU A 59 165.350 -0.237 12.447 1.00 0.00 C ATOM 905 CG GLU A 59 165.981 1.104 12.783 1.00 0.00 C ATOM 906 CD GLU A 59 167.464 0.995 13.079 1.00 0.00 C ATOM 907 OE1 GLU A 59 167.825 0.317 14.064 1.00 0.00 O ATOM 908 OE2 GLU A 59 168.265 1.587 12.326 1.00 0.00 O ATOM 0 H GLU A 59 166.633 -0.735 14.543 1.00 0.00 H new ATOM 0 HA GLU A 59 163.822 -0.461 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 59 166.104 -0.878 11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.570 -0.084 11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.830 1.791 11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.473 1.534 13.646 1.00 0.00 H new ATOM 915 N ILE A 60 165.436 -3.118 12.784 1.00 0.00 N ATOM 916 CA ILE A 60 165.262 -4.511 12.388 1.00 0.00 C ATOM 917 C ILE A 60 165.099 -5.411 13.607 1.00 0.00 C ATOM 918 O ILE A 60 164.365 -6.399 13.568 1.00 0.00 O ATOM 919 CB ILE A 60 166.454 -5.012 11.548 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.759 -4.860 12.330 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.529 -4.255 10.230 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.948 -5.510 11.654 1.00 0.00 C ATOM 0 H ILE A 60 166.379 -2.754 12.644 1.00 0.00 H new ATOM 0 HA ILE A 60 164.357 -4.557 11.782 1.00 0.00 H new ATOM 0 HB ILE A 60 166.305 -6.070 11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.967 -3.799 12.472 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.632 -5.295 13.321 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.376 -4.620 9.648 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.608 -4.411 9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.657 -3.191 10.428 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.839 -5.363 12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.761 -6.577 11.536 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.101 -5.058 10.674 1.00 0.00 H new ATOM 934 N GLY A 61 165.785 -5.062 14.690 1.00 0.00 N ATOM 935 CA GLY A 61 165.700 -5.847 15.907 1.00 0.00 C ATOM 936 C GLY A 61 166.804 -6.881 16.014 1.00 0.00 C ATOM 937 O GLY A 61 166.542 -8.049 16.300 1.00 0.00 O ATOM 0 H GLY A 61 166.399 -4.249 14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.747 -5.181 16.768 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.733 -6.349 15.944 1.00 0.00 H new ATOM 941 N VAL A 62 168.042 -6.450 15.790 1.00 0.00 N ATOM 942 CA VAL A 62 169.189 -7.348 15.870 1.00 0.00 C ATOM 943 C VAL A 62 170.488 -6.617 15.563 1.00 0.00 C ATOM 944 O VAL A 62 170.586 -5.886 14.578 1.00 0.00 O ATOM 945 CB VAL A 62 169.048 -8.539 14.905 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.954 -8.061 13.465 1.00 0.00 C ATOM 947 CG2 VAL A 62 170.206 -9.512 15.078 1.00 0.00 C ATOM 0 H VAL A 62 168.276 -5.486 15.552 1.00 0.00 H new ATOM 0 HA VAL A 62 169.217 -7.721 16.894 1.00 0.00 H new ATOM 0 HB VAL A 62 168.124 -9.064 15.147 1.00 0.00 H new ATOM 0 HG11 VAL A 62 168.855 -8.921 12.802 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.084 -7.414 13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 62 169.855 -7.505 13.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 170.087 -10.346 14.387 1.00 0.00 H new ATOM 0 HG22 VAL A 62 171.146 -9.000 14.870 1.00 0.00 H new ATOM 0 HG23 VAL A 62 170.216 -9.887 16.101 1.00 0.00 H new ATOM 957 N LEU A 63 171.482 -6.823 16.415 1.00 0.00 N ATOM 958 CA LEU A 63 172.783 -6.189 16.241 1.00 0.00 C ATOM 959 C LEU A 63 173.470 -6.702 14.981 1.00 0.00 C ATOM 960 O LEU A 63 173.481 -7.904 14.715 1.00 0.00 O ATOM 961 CB LEU A 63 173.670 -6.451 17.461 1.00 0.00 C ATOM 962 CG LEU A 63 173.066 -6.033 18.805 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.238 -7.138 19.836 1.00 0.00 C ATOM 964 CD2 LEU A 63 173.701 -4.741 19.297 1.00 0.00 C ATOM 0 H LEU A 63 171.413 -7.425 17.235 1.00 0.00 H new ATOM 0 HA LEU A 63 172.626 -5.115 16.139 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.902 -7.515 17.500 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.614 -5.923 17.325 1.00 0.00 H new ATOM 0 HG LEU A 63 171.999 -5.860 18.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 172.803 -6.822 20.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.736 -8.041 19.489 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.299 -7.344 19.975 1.00 0.00 H new ATOM 0 HD21 LEU A 63 173.259 -4.460 20.253 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.774 -4.887 19.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 173.525 -3.949 18.569 1.00 0.00 H new ATOM 976 N ILE A 64 174.040 -5.785 14.208 1.00 0.00 N ATOM 977 CA ILE A 64 174.726 -6.148 12.975 1.00 0.00 C ATOM 978 C ILE A 64 176.185 -5.706 13.006 1.00 0.00 C ATOM 979 O ILE A 64 176.519 -4.677 13.591 1.00 0.00 O ATOM 980 CB ILE A 64 174.040 -5.525 11.744 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.522 -5.692 11.837 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.569 -6.158 10.468 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.074 -7.137 11.872 1.00 0.00 C ATOM 0 H ILE A 64 174.040 -4.786 14.413 1.00 0.00 H new ATOM 0 HA ILE A 64 174.679 -7.234 12.897 1.00 0.00 H new ATOM 0 HB ILE A 64 174.268 -4.459 11.721 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.163 -5.187 12.734 1.00 0.00 H new ATOM 0 HG13 ILE A 64 172.057 -5.196 10.985 1.00 0.00 H new ATOM 0 HG21 ILE A 64 174.075 -5.708 9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.644 -5.992 10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.368 -7.229 10.483 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.987 -7.179 11.938 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.402 -7.642 10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.510 -7.632 12.740 1.00 0.00 H new ATOM 995 N ASP A 65 177.049 -6.491 12.370 1.00 0.00 N ATOM 996 CA ASP A 65 178.473 -6.181 12.322 1.00 0.00 C ATOM 997 C ASP A 65 178.739 -4.984 11.410 1.00 0.00 C ATOM 998 O ASP A 65 178.609 -5.088 10.190 1.00 0.00 O ATOM 999 CB ASP A 65 179.261 -7.397 11.829 1.00 0.00 C ATOM 1000 CG ASP A 65 179.858 -8.200 12.968 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.101 -8.934 13.637 1.00 0.00 O ATOM 1002 OD2 ASP A 65 181.083 -8.095 13.190 1.00 0.00 O ATOM 0 H ASP A 65 176.787 -7.347 11.881 1.00 0.00 H new ATOM 0 HA ASP A 65 178.800 -5.926 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.604 -8.038 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.059 -7.065 11.165 1.00 0.00 H new ATOM 1007 N PRO A 66 179.114 -3.825 11.985 1.00 0.00 N ATOM 1008 CA PRO A 66 179.392 -2.619 11.201 1.00 0.00 C ATOM 1009 C PRO A 66 180.571 -2.806 10.254 1.00 0.00 C ATOM 1010 O PRO A 66 181.456 -3.624 10.500 1.00 0.00 O ATOM 1011 CB PRO A 66 179.711 -1.555 12.255 1.00 0.00 C ATOM 1012 CG PRO A 66 180.075 -2.316 13.483 1.00 0.00 C ATOM 1013 CD PRO A 66 179.296 -3.599 13.429 1.00 0.00 C ATOM 0 HA PRO A 66 178.550 -2.352 10.562 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.531 -0.914 11.932 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.852 -0.908 12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.147 -2.513 13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.828 -1.748 14.380 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.839 -4.419 13.899 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.340 -3.511 13.946 1.00 0.00 H new ATOM 1021 N GLU A 67 180.571 -2.049 9.162 1.00 0.00 N ATOM 1022 CA GLU A 67 181.636 -2.133 8.167 1.00 0.00 C ATOM 1023 C GLU A 67 181.693 -3.520 7.519 1.00 0.00 C ATOM 1024 O GLU A 67 182.609 -3.814 6.751 1.00 0.00 O ATOM 1025 CB GLU A 67 182.986 -1.799 8.807 1.00 0.00 C ATOM 1026 CG GLU A 67 183.448 -0.376 8.542 1.00 0.00 C ATOM 1027 CD GLU A 67 184.403 0.135 9.603 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.517 -0.419 9.714 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.037 1.087 10.323 1.00 0.00 O ATOM 0 H GLU A 67 179.844 -1.368 8.942 1.00 0.00 H new ATOM 0 HA GLU A 67 181.417 -1.406 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.917 -1.955 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.738 -2.493 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.936 -0.332 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 182.579 0.281 8.494 1.00 0.00 H new ATOM 1036 N GLU A 68 180.713 -4.367 7.830 1.00 0.00 N ATOM 1037 CA GLU A 68 180.660 -5.713 7.276 1.00 0.00 C ATOM 1038 C GLU A 68 179.294 -5.995 6.653 1.00 0.00 C ATOM 1039 O GLU A 68 178.935 -7.149 6.420 1.00 0.00 O ATOM 1040 CB GLU A 68 180.949 -6.735 8.373 1.00 0.00 C ATOM 1041 CG GLU A 68 182.332 -6.590 8.981 1.00 0.00 C ATOM 1042 CD GLU A 68 182.420 -7.171 10.378 1.00 0.00 C ATOM 1043 OE1 GLU A 68 182.682 -8.386 10.500 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.225 -6.411 11.350 1.00 0.00 O ATOM 0 H GLU A 68 179.946 -4.142 8.463 1.00 0.00 H new ATOM 0 HA GLU A 68 181.416 -5.792 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.202 -6.634 9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.844 -7.739 7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 68 183.060 -7.086 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.602 -5.534 9.013 1.00 0.00 H new ATOM 1051 N TYR A 69 178.536 -4.935 6.387 1.00 0.00 N ATOM 1052 CA TYR A 69 177.212 -5.072 5.794 1.00 0.00 C ATOM 1053 C TYR A 69 176.863 -3.849 4.955 1.00 0.00 C ATOM 1054 O TYR A 69 177.193 -2.721 5.320 1.00 0.00 O ATOM 1055 CB TYR A 69 176.163 -5.265 6.888 1.00 0.00 C ATOM 1056 CG TYR A 69 176.047 -6.693 7.367 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.936 -7.205 8.304 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.050 -7.529 6.882 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.834 -8.511 8.744 1.00 0.00 C ATOM 1060 CE2 TYR A 69 174.941 -8.835 7.317 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.835 -9.322 8.247 1.00 0.00 C ATOM 1062 OH TYR A 69 175.730 -10.623 8.683 1.00 0.00 O ATOM 0 H TYR A 69 178.817 -3.972 6.573 1.00 0.00 H new ATOM 0 HA TYR A 69 177.220 -5.947 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.411 -4.625 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.194 -4.936 6.513 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.719 -6.572 8.695 1.00 0.00 H new ATOM 0 HD2 TYR A 69 174.348 -7.152 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 69 177.533 -8.895 9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 69 174.159 -9.472 6.931 1.00 0.00 H new ATOM 0 HH TYR A 69 174.868 -10.749 9.132 1.00 0.00 H new ATOM 1072 N ALA A 70 176.193 -4.076 3.830 1.00 0.00 N ATOM 1073 CA ALA A 70 175.800 -2.987 2.947 1.00 0.00 C ATOM 1074 C ALA A 70 174.431 -2.448 3.337 1.00 0.00 C ATOM 1075 O ALA A 70 173.431 -3.162 3.270 1.00 0.00 O ATOM 1076 CB ALA A 70 175.792 -3.456 1.499 1.00 0.00 C ATOM 0 H ALA A 70 175.912 -5.003 3.510 1.00 0.00 H new ATOM 0 HA ALA A 70 176.528 -2.182 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.496 -2.631 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 70 176.790 -3.796 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.084 -4.277 1.386 1.00 0.00 H new ATOM 1082 N GLU A 71 174.393 -1.186 3.749 1.00 0.00 N ATOM 1083 CA GLU A 71 173.143 -0.561 4.153 1.00 0.00 C ATOM 1084 C GLU A 71 172.721 0.497 3.140 1.00 0.00 C ATOM 1085 O GLU A 71 173.287 1.589 3.092 1.00 0.00 O ATOM 1086 CB GLU A 71 173.290 0.055 5.554 1.00 0.00 C ATOM 1087 CG GLU A 71 172.160 0.997 5.971 1.00 0.00 C ATOM 1088 CD GLU A 71 172.507 1.794 7.214 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.122 1.217 8.135 1.00 0.00 O ATOM 1090 OE2 GLU A 71 172.162 2.993 7.267 1.00 0.00 O ATOM 0 H GLU A 71 175.211 -0.579 3.811 1.00 0.00 H new ATOM 0 HA GLU A 71 172.365 -1.324 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.357 -0.752 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.232 0.602 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.940 1.682 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.255 0.417 6.154 1.00 0.00 H new ATOM 1097 N VAL A 72 171.721 0.163 2.336 1.00 0.00 N ATOM 1098 CA VAL A 72 171.213 1.078 1.325 1.00 0.00 C ATOM 1099 C VAL A 72 169.972 1.795 1.838 1.00 0.00 C ATOM 1100 O VAL A 72 169.091 1.181 2.439 1.00 0.00 O ATOM 1101 CB VAL A 72 170.895 0.339 0.002 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.701 0.958 -0.717 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.116 0.343 -0.902 1.00 0.00 C ATOM 0 H VAL A 72 171.244 -0.738 2.365 1.00 0.00 H new ATOM 0 HA VAL A 72 171.991 1.814 1.120 1.00 0.00 H new ATOM 0 HB VAL A 72 170.632 -0.690 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.509 0.412 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 72 168.822 0.905 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 72 169.917 2.001 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 72 171.883 -0.179 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.400 1.371 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 72 172.942 -0.161 -0.400 1.00 0.00 H new ATOM 1113 N TRP A 73 169.915 3.097 1.604 1.00 0.00 N ATOM 1114 CA TRP A 73 168.786 3.901 2.052 1.00 0.00 C ATOM 1115 C TRP A 73 168.021 4.483 0.870 1.00 0.00 C ATOM 1116 O TRP A 73 168.327 5.583 0.409 1.00 0.00 O ATOM 1117 CB TRP A 73 169.273 5.036 2.956 1.00 0.00 C ATOM 1118 CG TRP A 73 169.444 4.629 4.387 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.778 3.390 4.852 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.290 5.464 5.540 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.836 3.402 6.224 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.542 4.664 6.670 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.963 6.810 5.728 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.477 5.166 7.968 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.900 7.307 7.016 1.00 0.00 C ATOM 1126 CH2 TRP A 73 169.156 6.487 8.121 1.00 0.00 C ATOM 0 H TRP A 73 170.636 3.620 1.107 1.00 0.00 H new ATOM 0 HA TRP A 73 168.114 3.251 2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.224 5.409 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.563 5.861 2.904 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.969 2.527 4.232 1.00 0.00 H new ATOM 0 HE1 TRP A 73 170.061 2.602 6.815 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.763 7.450 4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.673 4.535 8.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.649 8.346 7.173 1.00 0.00 H new ATOM 0 HH2 TRP A 73 169.099 6.906 9.115 1.00 0.00 H new ATOM 1137 N VAL A 74 167.027 3.748 0.376 1.00 0.00 N ATOM 1138 CA VAL A 74 166.233 4.216 -0.751 1.00 0.00 C ATOM 1139 C VAL A 74 165.031 5.022 -0.274 1.00 0.00 C ATOM 1140 O VAL A 74 164.015 4.463 0.137 1.00 0.00 O ATOM 1141 CB VAL A 74 165.735 3.053 -1.627 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.899 3.587 -2.780 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.907 2.229 -2.137 1.00 0.00 C ATOM 0 H VAL A 74 166.756 2.833 0.737 1.00 0.00 H new ATOM 0 HA VAL A 74 166.888 4.849 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 74 165.106 2.400 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.552 2.756 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 74 164.040 4.130 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.505 4.258 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.535 1.411 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.566 2.862 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.461 1.822 -1.291 1.00 0.00 H new ATOM 1153 N GLY A 75 165.172 6.337 -0.318 1.00 0.00 N ATOM 1154 CA GLY A 75 164.103 7.213 0.130 1.00 0.00 C ATOM 1155 C GLY A 75 163.756 8.300 -0.867 1.00 0.00 C ATOM 1156 O GLY A 75 163.592 8.034 -2.057 1.00 0.00 O ATOM 0 H GLY A 75 166.007 6.817 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.213 6.615 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.394 7.675 1.073 1.00 0.00 H new ATOM 1160 N LEU A 76 163.648 9.530 -0.372 1.00 0.00 N ATOM 1161 CA LEU A 76 163.318 10.678 -1.218 1.00 0.00 C ATOM 1162 C LEU A 76 164.140 11.896 -0.801 1.00 0.00 C ATOM 1163 O LEU A 76 163.915 12.474 0.262 1.00 0.00 O ATOM 1164 CB LEU A 76 161.812 11.005 -1.149 1.00 0.00 C ATOM 1165 CG LEU A 76 161.070 10.964 -2.486 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.291 9.630 -3.185 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.584 11.213 -2.273 1.00 0.00 C ATOM 0 H LEU A 76 163.784 9.760 0.612 1.00 0.00 H new ATOM 0 HA LEU A 76 163.563 10.419 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.336 10.301 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.693 11.998 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 76 161.468 11.753 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.754 9.623 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.356 9.488 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.921 8.822 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 76 159.068 11.181 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 76 159.177 10.444 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.441 12.193 -1.817 1.00 0.00 H new ATOM 1179 N VAL A 77 165.098 12.275 -1.642 1.00 0.00 N ATOM 1180 CA VAL A 77 165.959 13.418 -1.357 1.00 0.00 C ATOM 1181 C VAL A 77 165.448 14.684 -2.040 1.00 0.00 C ATOM 1182 O VAL A 77 164.848 14.625 -3.114 1.00 0.00 O ATOM 1183 CB VAL A 77 167.410 13.151 -1.808 1.00 0.00 C ATOM 1184 CG1 VAL A 77 168.306 14.342 -1.497 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.947 11.889 -1.150 1.00 0.00 C ATOM 0 H VAL A 77 165.297 11.807 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 77 165.941 13.565 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 77 167.409 13.005 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 77 169.323 14.128 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.934 15.223 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 77 168.303 14.529 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.972 11.715 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 77 167.929 12.008 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.326 11.039 -1.432 1.00 0.00 H new ATOM 1195 N ASN A 78 165.695 15.828 -1.409 1.00 0.00 N ATOM 1196 CA ASN A 78 165.266 17.112 -1.950 1.00 0.00 C ATOM 1197 C ASN A 78 166.367 17.734 -2.807 1.00 0.00 C ATOM 1198 O ASN A 78 167.314 17.056 -3.204 1.00 0.00 O ATOM 1199 CB ASN A 78 164.882 18.063 -0.813 1.00 0.00 C ATOM 1200 CG ASN A 78 163.980 17.404 0.213 1.00 0.00 C ATOM 1201 OD1 ASN A 78 162.870 16.975 -0.104 1.00 0.00 O ATOM 1202 ND2 ASN A 78 164.452 17.322 1.451 1.00 0.00 N ATOM 0 H ASN A 78 166.191 15.891 -0.520 1.00 0.00 H new ATOM 0 HA ASN A 78 164.393 16.944 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.787 18.421 -0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.378 18.936 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 78 163.889 16.890 2.184 1.00 0.00 H new ATOM 0 HD22 ASN A 78 165.378 17.691 1.669 1.00 0.00 H new ATOM 1209 N GLU A 79 166.236 19.027 -3.090 1.00 0.00 N ATOM 1210 CA GLU A 79 167.219 19.737 -3.902 1.00 0.00 C ATOM 1211 C GLU A 79 168.533 19.921 -3.147 1.00 0.00 C ATOM 1212 O GLU A 79 169.597 20.036 -3.756 1.00 0.00 O ATOM 1213 CB GLU A 79 166.669 21.101 -4.326 1.00 0.00 C ATOM 1214 CG GLU A 79 166.369 22.026 -3.158 1.00 0.00 C ATOM 1215 CD GLU A 79 167.445 23.074 -2.953 1.00 0.00 C ATOM 1216 OE1 GLU A 79 167.697 23.858 -3.892 1.00 0.00 O ATOM 1217 OE2 GLU A 79 168.036 23.112 -1.853 1.00 0.00 O ATOM 0 H GLU A 79 165.459 19.604 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 79 167.416 19.135 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.389 21.585 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 79 165.757 20.952 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 79 165.413 22.521 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.265 21.435 -2.248 1.00 0.00 H new ATOM 1224 N GLN A 80 168.455 19.950 -1.820 1.00 0.00 N ATOM 1225 CA GLN A 80 169.644 20.124 -0.989 1.00 0.00 C ATOM 1226 C GLN A 80 170.504 18.859 -0.966 1.00 0.00 C ATOM 1227 O GLN A 80 171.611 18.866 -0.427 1.00 0.00 O ATOM 1228 CB GLN A 80 169.252 20.520 0.438 1.00 0.00 C ATOM 1229 CG GLN A 80 168.139 19.670 1.033 1.00 0.00 C ATOM 1230 CD GLN A 80 167.822 20.051 2.466 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.131 19.312 3.401 1.00 0.00 O ATOM 1232 NE2 GLN A 80 167.202 21.211 2.646 1.00 0.00 N ATOM 0 H GLN A 80 167.584 19.856 -1.297 1.00 0.00 H new ATOM 0 HA GLN A 80 170.236 20.926 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.131 20.449 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.939 21.564 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 80 167.241 19.776 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.428 18.620 0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 80 166.964 21.792 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 80 166.963 21.521 3.588 1.00 0.00 H new ATOM 1241 N ASP A 81 169.998 17.779 -1.559 1.00 0.00 N ATOM 1242 CA ASP A 81 170.731 16.516 -1.608 1.00 0.00 C ATOM 1243 C ASP A 81 170.878 15.905 -0.217 1.00 0.00 C ATOM 1244 O ASP A 81 171.850 15.203 0.062 1.00 0.00 O ATOM 1245 CB ASP A 81 172.113 16.726 -2.235 1.00 0.00 C ATOM 1246 CG ASP A 81 172.430 15.689 -3.295 1.00 0.00 C ATOM 1247 OD1 ASP A 81 172.714 14.530 -2.925 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.394 16.036 -4.494 1.00 0.00 O ATOM 0 H ASP A 81 169.084 17.754 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 81 170.159 15.823 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.161 17.721 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.873 16.688 -1.454 1.00 0.00 H new ATOM 1253 N GLU A 82 169.905 16.168 0.648 1.00 0.00 N ATOM 1254 CA GLU A 82 169.928 15.634 2.005 1.00 0.00 C ATOM 1255 C GLU A 82 168.923 14.497 2.150 1.00 0.00 C ATOM 1256 O GLU A 82 167.873 14.501 1.508 1.00 0.00 O ATOM 1257 CB GLU A 82 169.622 16.739 3.018 1.00 0.00 C ATOM 1258 CG GLU A 82 170.864 17.342 3.654 1.00 0.00 C ATOM 1259 CD GLU A 82 171.151 16.771 5.029 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.292 16.919 5.924 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.234 16.176 5.211 1.00 0.00 O ATOM 0 H GLU A 82 169.092 16.746 0.435 1.00 0.00 H new ATOM 0 HA GLU A 82 170.926 15.243 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.058 17.529 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 82 168.982 16.334 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 82 171.722 17.166 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.740 18.422 3.732 1.00 0.00 H new ATOM 1268 N MET A 83 169.248 13.524 2.994 1.00 0.00 N ATOM 1269 CA MET A 83 168.368 12.383 3.212 1.00 0.00 C ATOM 1270 C MET A 83 167.783 12.402 4.620 1.00 0.00 C ATOM 1271 O MET A 83 168.319 11.778 5.535 1.00 0.00 O ATOM 1272 CB MET A 83 169.123 11.075 2.977 1.00 0.00 C ATOM 1273 CG MET A 83 168.293 10.017 2.270 1.00 0.00 C ATOM 1274 SD MET A 83 169.262 9.032 1.112 1.00 0.00 S ATOM 1275 CE MET A 83 167.960 8.266 0.152 1.00 0.00 C ATOM 0 H MET A 83 170.111 13.503 3.537 1.00 0.00 H new ATOM 0 HA MET A 83 167.547 12.452 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.016 11.281 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.459 10.681 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 83 167.842 9.358 3.013 1.00 0.00 H new ATOM 0 HG3 MET A 83 167.476 10.500 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.400 7.651 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.348 7.641 0.802 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.338 9.039 -0.299 1.00 0.00 H new ATOM 1285 N ASP A 84 166.675 13.116 4.783 1.00 0.00 N ATOM 1286 CA ASP A 84 166.009 13.211 6.076 1.00 0.00 C ATOM 1287 C ASP A 84 164.676 12.465 6.063 1.00 0.00 C ATOM 1288 O ASP A 84 163.860 12.620 6.972 1.00 0.00 O ATOM 1289 CB ASP A 84 165.781 14.677 6.449 1.00 0.00 C ATOM 1290 CG ASP A 84 165.073 15.449 5.352 1.00 0.00 C ATOM 1291 OD1 ASP A 84 163.851 15.255 5.184 1.00 0.00 O ATOM 1292 OD2 ASP A 84 165.741 16.246 4.661 1.00 0.00 O ATOM 0 H ASP A 84 166.219 13.638 4.035 1.00 0.00 H new ATOM 0 HA ASP A 84 166.655 12.748 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.192 14.729 7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 84 166.741 15.149 6.660 1.00 0.00 H new ATOM 1297 N ASP A 85 164.459 11.656 5.028 1.00 0.00 N ATOM 1298 CA ASP A 85 163.225 10.890 4.901 1.00 0.00 C ATOM 1299 C ASP A 85 163.448 9.641 4.055 1.00 0.00 C ATOM 1300 O ASP A 85 163.325 9.677 2.830 1.00 0.00 O ATOM 1301 CB ASP A 85 162.127 11.753 4.278 1.00 0.00 C ATOM 1302 CG ASP A 85 161.303 12.482 5.322 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.739 13.562 5.774 1.00 0.00 O ATOM 1304 OD2 ASP A 85 160.222 11.973 5.686 1.00 0.00 O ATOM 0 H ASP A 85 165.123 11.515 4.266 1.00 0.00 H new ATOM 0 HA ASP A 85 162.912 10.581 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.579 12.480 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.472 11.124 3.676 1.00 0.00 H new ATOM 1309 N VAL A 86 163.776 8.537 4.717 1.00 0.00 N ATOM 1310 CA VAL A 86 164.014 7.274 4.029 1.00 0.00 C ATOM 1311 C VAL A 86 162.722 6.476 3.898 1.00 0.00 C ATOM 1312 O VAL A 86 161.851 6.537 4.766 1.00 0.00 O ATOM 1313 CB VAL A 86 165.069 6.419 4.765 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.743 6.330 6.247 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.172 5.030 4.149 1.00 0.00 C ATOM 0 H VAL A 86 163.883 8.491 5.730 1.00 0.00 H new ATOM 0 HA VAL A 86 164.392 7.517 3.036 1.00 0.00 H new ATOM 0 HB VAL A 86 166.038 6.906 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.497 5.724 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.735 7.331 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.763 5.871 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.922 4.449 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.206 4.529 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.462 5.117 3.102 1.00 0.00 H new ATOM 1325 N PHE A 87 162.606 5.726 2.808 1.00 0.00 N ATOM 1326 CA PHE A 87 161.422 4.914 2.564 1.00 0.00 C ATOM 1327 C PHE A 87 161.657 3.472 2.996 1.00 0.00 C ATOM 1328 O PHE A 87 160.845 2.889 3.714 1.00 0.00 O ATOM 1329 CB PHE A 87 161.042 4.961 1.084 1.00 0.00 C ATOM 1330 CG PHE A 87 160.117 6.091 0.742 1.00 0.00 C ATOM 1331 CD1 PHE A 87 159.010 6.356 1.531 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.354 6.889 -0.365 1.00 0.00 C ATOM 1333 CE1 PHE A 87 158.157 7.396 1.223 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.503 7.932 -0.679 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.403 8.186 0.116 1.00 0.00 C ATOM 0 H PHE A 87 163.318 5.664 2.080 1.00 0.00 H new ATOM 0 HA PHE A 87 160.602 5.323 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.949 5.050 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.570 4.018 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.812 5.742 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.213 6.694 -0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 87 157.298 7.593 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.698 8.547 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.736 9.000 -0.127 1.00 0.00 H new ATOM 1345 N ALA A 88 162.771 2.900 2.553 1.00 0.00 N ATOM 1346 CA ALA A 88 163.105 1.525 2.895 1.00 0.00 C ATOM 1347 C ALA A 88 164.613 1.301 2.889 1.00 0.00 C ATOM 1348 O ALA A 88 165.274 1.501 1.869 1.00 0.00 O ATOM 1349 CB ALA A 88 162.427 0.566 1.929 1.00 0.00 C ATOM 0 H ALA A 88 163.456 3.367 1.958 1.00 0.00 H new ATOM 0 HA ALA A 88 162.742 1.332 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.684 -0.460 2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.346 0.696 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.764 0.773 0.913 1.00 0.00 H new ATOM 1355 N LYS A 89 165.153 0.881 4.029 1.00 0.00 N ATOM 1356 CA LYS A 89 166.584 0.624 4.150 1.00 0.00 C ATOM 1357 C LYS A 89 166.853 -0.879 4.120 1.00 0.00 C ATOM 1358 O LYS A 89 166.195 -1.644 4.822 1.00 0.00 O ATOM 1359 CB LYS A 89 167.133 1.222 5.451 1.00 0.00 C ATOM 1360 CG LYS A 89 166.227 2.266 6.088 1.00 0.00 C ATOM 1361 CD LYS A 89 166.921 2.984 7.238 1.00 0.00 C ATOM 1362 CE LYS A 89 166.189 2.773 8.556 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.903 1.814 9.444 1.00 0.00 N ATOM 0 H LYS A 89 164.621 0.711 4.883 1.00 0.00 H new ATOM 0 HA LYS A 89 167.089 1.096 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.299 0.416 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.104 1.674 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.923 2.993 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.319 1.786 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.945 2.622 7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.978 4.050 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 89 166.081 3.729 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.183 2.403 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 166.209 1.231 9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 167.516 1.200 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 167.483 2.340 10.129 1.00 0.00 H new ATOM 1377 N PHE A 90 167.811 -1.301 3.298 1.00 0.00 N ATOM 1378 CA PHE A 90 168.141 -2.721 3.179 1.00 0.00 C ATOM 1379 C PHE A 90 169.525 -3.031 3.748 1.00 0.00 C ATOM 1380 O PHE A 90 170.406 -2.173 3.770 1.00 0.00 O ATOM 1381 CB PHE A 90 168.077 -3.155 1.713 1.00 0.00 C ATOM 1382 CG PHE A 90 166.805 -2.756 1.019 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.512 -1.420 0.793 1.00 0.00 C ATOM 1384 CD2 PHE A 90 165.903 -3.717 0.591 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.343 -1.050 0.155 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.732 -3.353 -0.048 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.452 -2.018 -0.267 1.00 0.00 C ATOM 0 H PHE A 90 168.370 -0.685 2.707 1.00 0.00 H new ATOM 0 HA PHE A 90 167.406 -3.279 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 90 168.923 -2.723 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.185 -4.238 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.205 -0.659 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.117 -4.762 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.126 -0.005 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.037 -4.112 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.539 -1.732 -0.767 1.00 0.00 H new ATOM 1397 N LEU A 91 169.706 -4.273 4.196 1.00 0.00 N ATOM 1398 CA LEU A 91 170.982 -4.718 4.756 1.00 0.00 C ATOM 1399 C LEU A 91 171.338 -6.110 4.239 1.00 0.00 C ATOM 1400 O LEU A 91 170.703 -7.097 4.607 1.00 0.00 O ATOM 1401 CB LEU A 91 170.924 -4.744 6.285 1.00 0.00 C ATOM 1402 CG LEU A 91 170.537 -3.422 6.952 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.004 -3.665 8.356 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.728 -2.478 6.995 1.00 0.00 C ATOM 0 H LEU A 91 168.982 -4.991 4.182 1.00 0.00 H new ATOM 0 HA LEU A 91 171.749 -4.011 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.210 -5.508 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.900 -5.050 6.663 1.00 0.00 H new ATOM 0 HG LEU A 91 169.748 -2.959 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.735 -2.713 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.123 -4.305 8.305 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.772 -4.152 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.434 -1.543 7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.536 -2.938 7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.068 -2.275 5.980 1.00 0.00 H new ATOM 1416 N ILE A 92 172.347 -6.182 3.377 1.00 0.00 N ATOM 1417 CA ILE A 92 172.773 -7.458 2.804 1.00 0.00 C ATOM 1418 C ILE A 92 174.194 -7.823 3.229 1.00 0.00 C ATOM 1419 O ILE A 92 175.087 -6.976 3.249 1.00 0.00 O ATOM 1420 CB ILE A 92 172.690 -7.444 1.258 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.819 -6.010 0.722 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.382 -8.077 0.803 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.484 -5.873 -0.746 1.00 0.00 C ATOM 0 H ILE A 92 172.885 -5.376 3.059 1.00 0.00 H new ATOM 0 HA ILE A 92 172.086 -8.212 3.189 1.00 0.00 H new ATOM 0 HB ILE A 92 173.518 -8.028 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.162 -5.357 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.839 -5.661 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.331 -8.064 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.334 -9.107 1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.543 -7.514 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.598 -4.832 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.157 -6.498 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.455 -6.189 -0.915 1.00 0.00 H new ATOM 1435 N SER A 93 174.387 -9.093 3.579 1.00 0.00 N ATOM 1436 CA SER A 93 175.691 -9.587 4.020 1.00 0.00 C ATOM 1437 C SER A 93 176.686 -9.682 2.863 1.00 0.00 C ATOM 1438 O SER A 93 176.741 -10.695 2.165 1.00 0.00 O ATOM 1439 CB SER A 93 175.536 -10.961 4.677 1.00 0.00 C ATOM 1440 OG SER A 93 176.035 -10.952 6.003 1.00 0.00 O ATOM 0 H SER A 93 173.654 -9.802 3.566 1.00 0.00 H new ATOM 0 HA SER A 93 176.084 -8.872 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.484 -11.248 4.683 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.068 -11.710 4.090 1.00 0.00 H new ATOM 0 HG SER A 93 175.359 -10.575 6.604 1.00 0.00 H new ATOM 1446 N HIS A 94 177.468 -8.617 2.670 1.00 0.00 N ATOM 1447 CA HIS A 94 178.475 -8.555 1.601 1.00 0.00 C ATOM 1448 C HIS A 94 179.074 -9.928 1.290 1.00 0.00 C ATOM 1449 O HIS A 94 179.164 -10.327 0.129 1.00 0.00 O ATOM 1450 CB HIS A 94 179.605 -7.602 1.997 1.00 0.00 C ATOM 1451 CG HIS A 94 179.191 -6.165 2.085 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.011 -5.368 0.976 1.00 0.00 N ATOM 1453 CD2 HIS A 94 178.938 -5.375 3.157 1.00 0.00 C ATOM 1454 CE1 HIS A 94 178.669 -4.152 1.360 1.00 0.00 C ATOM 1455 NE2 HIS A 94 178.617 -4.128 2.678 1.00 0.00 N ATOM 0 H HIS A 94 177.424 -7.776 3.246 1.00 0.00 H new ATOM 0 HA HIS A 94 177.967 -8.193 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.007 -7.913 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.413 -7.692 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.981 -5.671 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 94 178.466 -3.317 0.705 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.378 -3.317 3.248 1.00 0.00 H new ATOM 1464 N ARG A 95 179.496 -10.634 2.338 1.00 0.00 N ATOM 1465 CA ARG A 95 180.105 -11.958 2.194 1.00 0.00 C ATOM 1466 C ARG A 95 179.379 -12.811 1.155 1.00 0.00 C ATOM 1467 O ARG A 95 178.156 -12.748 1.027 1.00 0.00 O ATOM 1468 CB ARG A 95 180.119 -12.680 3.542 1.00 0.00 C ATOM 1469 CG ARG A 95 181.392 -12.453 4.340 1.00 0.00 C ATOM 1470 CD ARG A 95 181.307 -13.082 5.722 1.00 0.00 C ATOM 1471 NE ARG A 95 181.685 -12.142 6.775 1.00 0.00 N ATOM 1472 CZ ARG A 95 180.881 -11.189 7.241 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.655 -11.046 6.751 1.00 0.00 N ATOM 1474 NH2 ARG A 95 181.303 -10.376 8.200 1.00 0.00 N ATOM 0 H ARG A 95 179.427 -10.310 3.303 1.00 0.00 H new ATOM 0 HA ARG A 95 181.128 -11.811 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.266 -12.346 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.991 -13.749 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 95 182.240 -12.874 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.575 -11.383 4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 95 180.291 -13.434 5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.959 -13.955 5.764 1.00 0.00 H new ATOM 0 HE ARG A 95 182.619 -12.221 7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.325 -11.668 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 95 179.044 -10.314 7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 95 182.244 -10.481 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 95 180.687 -9.646 8.557 1.00 0.00 H new ATOM 1488 N GLU A 96 180.147 -13.608 0.418 1.00 0.00 N ATOM 1489 CA GLU A 96 179.589 -14.478 -0.611 1.00 0.00 C ATOM 1490 C GLU A 96 178.824 -15.639 0.016 1.00 0.00 C ATOM 1491 O GLU A 96 177.688 -15.922 -0.363 1.00 0.00 O ATOM 1492 CB GLU A 96 180.703 -15.012 -1.512 1.00 0.00 C ATOM 1493 CG GLU A 96 180.309 -15.103 -2.977 1.00 0.00 C ATOM 1494 CD GLU A 96 179.850 -16.493 -3.372 1.00 0.00 C ATOM 1495 OE1 GLU A 96 178.888 -16.998 -2.755 1.00 0.00 O ATOM 1496 OE2 GLU A 96 180.452 -17.077 -4.297 1.00 0.00 O ATOM 0 H GLU A 96 181.161 -13.669 0.515 1.00 0.00 H new ATOM 0 HA GLU A 96 178.894 -13.892 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 96 181.576 -14.366 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.000 -16.001 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 96 179.510 -14.389 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.158 -14.815 -3.596 1.00 0.00 H new ATOM 1503 N GLU A 97 179.448 -16.302 0.985 1.00 0.00 N ATOM 1504 CA GLU A 97 178.815 -17.422 1.670 1.00 0.00 C ATOM 1505 C GLU A 97 177.712 -16.918 2.586 1.00 0.00 C ATOM 1506 O GLU A 97 177.824 -15.838 3.165 1.00 0.00 O ATOM 1507 CB GLU A 97 179.850 -18.214 2.473 1.00 0.00 C ATOM 1508 CG GLU A 97 180.363 -19.450 1.752 1.00 0.00 C ATOM 1509 CD GLU A 97 181.328 -20.259 2.596 1.00 0.00 C ATOM 1510 OE1 GLU A 97 182.537 -19.949 2.577 1.00 0.00 O ATOM 1511 OE2 GLU A 97 180.873 -21.203 3.276 1.00 0.00 O ATOM 0 H GLU A 97 180.389 -16.083 1.312 1.00 0.00 H new ATOM 0 HA GLU A 97 178.378 -18.084 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.693 -17.563 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.408 -18.515 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.518 -20.078 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.858 -19.148 0.829 1.00 0.00 H new ATOM 1518 N ASP A 98 176.644 -17.698 2.711 1.00 0.00 N ATOM 1519 CA ASP A 98 175.518 -17.315 3.552 1.00 0.00 C ATOM 1520 C ASP A 98 174.955 -15.971 3.102 1.00 0.00 C ATOM 1521 O ASP A 98 175.628 -14.944 3.192 1.00 0.00 O ATOM 1522 CB ASP A 98 175.948 -17.239 5.018 1.00 0.00 C ATOM 1523 CG ASP A 98 175.728 -18.547 5.754 1.00 0.00 C ATOM 1524 OD1 ASP A 98 176.593 -19.442 5.646 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.691 -18.676 6.438 1.00 0.00 O ATOM 0 H ASP A 98 176.535 -18.597 2.242 1.00 0.00 H new ATOM 0 HA ASP A 98 174.741 -18.073 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 98 177.003 -16.969 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.390 -16.446 5.517 1.00 0.00 H new ATOM 1530 N ARG A 99 173.719 -15.976 2.623 1.00 0.00 N ATOM 1531 CA ARG A 99 173.078 -14.750 2.167 1.00 0.00 C ATOM 1532 C ARG A 99 171.967 -14.340 3.126 1.00 0.00 C ATOM 1533 O ARG A 99 170.954 -15.029 3.250 1.00 0.00 O ATOM 1534 CB ARG A 99 172.516 -14.940 0.754 1.00 0.00 C ATOM 1535 CG ARG A 99 171.617 -13.802 0.288 1.00 0.00 C ATOM 1536 CD ARG A 99 172.389 -12.502 0.137 1.00 0.00 C ATOM 1537 NE ARG A 99 171.618 -11.491 -0.583 1.00 0.00 N ATOM 1538 CZ ARG A 99 172.162 -10.471 -1.244 1.00 0.00 C ATOM 1539 NH1 ARG A 99 173.480 -10.314 -1.271 1.00 0.00 N ATOM 1540 NH2 ARG A 99 171.385 -9.603 -1.877 1.00 0.00 N ATOM 0 H ARG A 99 173.141 -16.812 2.540 1.00 0.00 H new ATOM 0 HA ARG A 99 173.825 -13.957 2.144 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.346 -15.044 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 99 171.952 -15.872 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 99 171.160 -14.067 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 99 170.806 -13.663 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 99 172.655 -12.121 1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.322 -12.693 -0.394 1.00 0.00 H new ATOM 0 HE ARG A 99 170.601 -11.571 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 99 174.083 -10.977 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 99 173.890 -9.530 -1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 99 170.372 -9.717 -1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 99 171.801 -8.821 -2.384 1.00 0.00 H new ATOM 1554 N GLU A 100 172.160 -13.211 3.797 1.00 0.00 N ATOM 1555 CA GLU A 100 171.171 -12.708 4.739 1.00 0.00 C ATOM 1556 C GLU A 100 170.838 -11.252 4.440 1.00 0.00 C ATOM 1557 O GLU A 100 171.615 -10.347 4.751 1.00 0.00 O ATOM 1558 CB GLU A 100 171.677 -12.847 6.177 1.00 0.00 C ATOM 1559 CG GLU A 100 173.089 -12.327 6.382 1.00 0.00 C ATOM 1560 CD GLU A 100 173.574 -12.502 7.808 1.00 0.00 C ATOM 1561 OE1 GLU A 100 174.108 -13.586 8.124 1.00 0.00 O ATOM 1562 OE2 GLU A 100 173.421 -11.555 8.607 1.00 0.00 O ATOM 0 H GLU A 100 172.992 -12.628 3.706 1.00 0.00 H new ATOM 0 HA GLU A 100 170.264 -13.303 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 100 171.002 -12.310 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.641 -13.898 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 100 173.766 -12.849 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 100 173.125 -11.270 6.117 1.00 0.00 H new ATOM 1569 N PHE A 101 169.677 -11.035 3.832 1.00 0.00 N ATOM 1570 CA PHE A 101 169.233 -9.692 3.488 1.00 0.00 C ATOM 1571 C PHE A 101 168.023 -9.297 4.328 1.00 0.00 C ATOM 1572 O PHE A 101 167.186 -10.136 4.661 1.00 0.00 O ATOM 1573 CB PHE A 101 168.895 -9.605 1.995 1.00 0.00 C ATOM 1574 CG PHE A 101 167.609 -10.288 1.621 1.00 0.00 C ATOM 1575 CD1 PHE A 101 166.398 -9.625 1.743 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.612 -11.590 1.147 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.214 -10.248 1.400 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.430 -12.218 0.802 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.229 -11.546 0.929 1.00 0.00 C ATOM 0 H PHE A 101 169.026 -11.774 3.567 1.00 0.00 H new ATOM 0 HA PHE A 101 170.045 -8.997 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.835 -8.556 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.710 -10.047 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 101 166.380 -8.610 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 101 168.548 -12.120 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 101 164.277 -9.720 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 101 166.445 -13.233 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.304 -12.035 0.660 1.00 0.00 H new ATOM 1589 N HIS A 102 167.930 -8.015 4.659 1.00 0.00 N ATOM 1590 CA HIS A 102 166.814 -7.513 5.450 1.00 0.00 C ATOM 1591 C HIS A 102 166.436 -6.105 5.004 1.00 0.00 C ATOM 1592 O HIS A 102 167.224 -5.420 4.352 1.00 0.00 O ATOM 1593 CB HIS A 102 167.120 -7.535 6.959 1.00 0.00 C ATOM 1594 CG HIS A 102 168.578 -7.573 7.328 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.098 -6.840 8.374 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.621 -8.274 6.815 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.391 -7.087 8.487 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.731 -7.953 7.554 1.00 0.00 N ATOM 0 H HIS A 102 168.613 -7.305 4.393 1.00 0.00 H new ATOM 0 HA HIS A 102 165.968 -8.179 5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.672 -6.652 7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.630 -8.404 7.398 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.584 -8.958 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 102 171.056 -6.653 9.219 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.669 -8.325 7.405 1.00 0.00 H new ATOM 1607 N VAL A 103 165.228 -5.678 5.355 1.00 0.00 N ATOM 1608 CA VAL A 103 164.761 -4.349 4.979 1.00 0.00 C ATOM 1609 C VAL A 103 163.730 -3.795 5.957 1.00 0.00 C ATOM 1610 O VAL A 103 162.858 -4.520 6.436 1.00 0.00 O ATOM 1611 CB VAL A 103 164.154 -4.349 3.563 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.932 -5.252 3.501 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.803 -2.932 3.128 1.00 0.00 C ATOM 0 H VAL A 103 164.559 -6.228 5.895 1.00 0.00 H new ATOM 0 HA VAL A 103 165.641 -3.706 5.002 1.00 0.00 H new ATOM 0 HB VAL A 103 164.900 -4.741 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.519 -5.237 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.219 -6.271 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.180 -4.896 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.376 -2.954 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.078 -2.507 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.704 -2.319 3.125 1.00 0.00 H new ATOM 1623 N ILE A 104 163.819 -2.495 6.220 1.00 0.00 N ATOM 1624 CA ILE A 104 162.873 -1.827 7.108 1.00 0.00 C ATOM 1625 C ILE A 104 161.984 -0.881 6.311 1.00 0.00 C ATOM 1626 O ILE A 104 162.471 -0.112 5.484 1.00 0.00 O ATOM 1627 CB ILE A 104 163.570 -1.033 8.230 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.921 -0.478 7.755 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.730 -1.908 9.464 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.074 -1.451 7.886 1.00 0.00 C ATOM 0 H ILE A 104 164.536 -1.883 5.831 1.00 0.00 H new ATOM 0 HA ILE A 104 162.276 -2.611 7.574 1.00 0.00 H new ATOM 0 HB ILE A 104 162.946 -0.179 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.831 -0.178 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 104 165.153 0.421 8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 104 164.223 -1.339 10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.748 -2.232 9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.333 -2.781 9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.990 -0.980 7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 104 166.195 -1.733 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.868 -2.341 7.292 1.00 0.00 H new ATOM 1642 N TRP A 105 160.681 -0.950 6.552 1.00 0.00 N ATOM 1643 CA TRP A 105 159.731 -0.101 5.838 1.00 0.00 C ATOM 1644 C TRP A 105 159.098 0.932 6.768 1.00 0.00 C ATOM 1645 O TRP A 105 159.520 2.088 6.799 1.00 0.00 O ATOM 1646 CB TRP A 105 158.651 -0.961 5.174 1.00 0.00 C ATOM 1647 CG TRP A 105 159.208 -1.926 4.165 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.597 -3.213 4.403 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.448 -1.688 2.767 1.00 0.00 C ATOM 1650 NE1 TRP A 105 160.063 -3.789 3.246 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.981 -2.875 2.229 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.264 -0.591 1.916 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.332 -2.994 0.885 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 159.611 -0.711 0.585 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.141 -1.905 0.079 1.00 0.00 C ATOM 0 H TRP A 105 160.258 -1.581 7.232 1.00 0.00 H new ATOM 0 HA TRP A 105 160.276 0.441 5.066 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.113 -1.517 5.942 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.926 -0.311 4.685 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.546 -3.707 5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.413 -4.743 3.158 1.00 0.00 H new ATOM 0 HE3 TRP A 105 158.857 0.335 2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.741 -3.914 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 159.471 0.130 -0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.404 -1.967 -0.967 1.00 0.00 H new ATOM 1666 N LYS A 106 158.084 0.517 7.522 1.00 0.00 N ATOM 1667 CA LYS A 106 157.405 1.421 8.444 1.00 0.00 C ATOM 1668 C LYS A 106 156.654 0.646 9.522 1.00 0.00 C ATOM 1669 O LYS A 106 156.037 -0.383 9.247 1.00 0.00 O ATOM 1670 CB LYS A 106 156.435 2.325 7.680 1.00 0.00 C ATOM 1671 CG LYS A 106 157.063 3.628 7.208 1.00 0.00 C ATOM 1672 CD LYS A 106 156.196 4.828 7.560 1.00 0.00 C ATOM 1673 CE LYS A 106 156.753 5.587 8.753 1.00 0.00 C ATOM 1674 NZ LYS A 106 156.009 6.852 9.003 1.00 0.00 N ATOM 0 H LYS A 106 157.716 -0.434 7.513 1.00 0.00 H new ATOM 0 HA LYS A 106 158.162 2.036 8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 106 156.050 1.783 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 106 155.583 2.553 8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 106 158.047 3.744 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 106 157.212 3.591 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 106 156.131 5.496 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 106 155.182 4.493 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 106 156.704 4.956 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.805 5.813 8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 156.420 7.340 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.077 7.466 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 155.010 6.635 9.193 1.00 0.00 H new ATOM 1688 N LYS A 107 156.710 1.152 10.750 1.00 0.00 N ATOM 1689 CA LYS A 107 156.036 0.512 11.873 1.00 0.00 C ATOM 1690 C LYS A 107 154.614 1.042 12.027 1.00 0.00 C ATOM 1691 O LYS A 107 153.665 0.258 11.820 1.00 0.00 O ATOM 1692 CB LYS A 107 156.821 0.745 13.165 1.00 0.00 C ATOM 1693 CG LYS A 107 158.275 0.309 13.081 1.00 0.00 C ATOM 1694 CD LYS A 107 158.440 -1.153 13.461 1.00 0.00 C ATOM 1695 CE LYS A 107 159.694 -1.375 14.292 1.00 0.00 C ATOM 1696 NZ LYS A 107 160.097 -2.808 14.319 1.00 0.00 N ATOM 1697 OXT LYS A 107 154.462 2.238 12.354 1.00 0.00 O ATOM 0 H LYS A 107 157.216 2.004 10.992 1.00 0.00 H new ATOM 0 HA LYS A 107 155.987 -0.558 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 107 156.782 1.805 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 107 156.335 0.205 13.978 1.00 0.00 H new ATOM 0 HG2 LYS A 107 158.646 0.467 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 107 158.881 0.929 13.742 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.567 -1.485 14.023 1.00 0.00 H new ATOM 0 HD3 LYS A 107 158.488 -1.761 12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 107 160.509 -0.776 13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 107 159.521 -1.028 15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 159.997 -3.179 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 159.488 -3.352 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 161.088 -2.896 14.016 1.00 0.00 H new TER 1711 LYS A 107