USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 636 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 77 ASN : amide:sc= 0.343 K(o=2.6,f=-0.49) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 175:sc= 2.25 (180deg=1.81) USER MOD Set 2.1: A 10 TYR OH : rot -144:sc= 0.98 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 1.73 K(o=2.7,f=-8.3!) USER MOD Set 3.1: A 25 CYS SG : rot -11:sc= 0.787 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.97 K(o=1.8,f=1) USER MOD Set 4.1: A 8 SER OG : rot -37:sc= 1.93 USER MOD Set 4.2: A 80 SER OG : rot 99:sc= 0.894 USER MOD Set 5.1: A 1 MET N :NH3+ -144:sc= 1.2 (180deg=-1.3!) USER MOD Set 5.2: A 5 ASN : amide:sc= 1.63 K(o=2.8,f=-9.1!) USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0771) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= 0.582 (180deg=-0.0962!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.241 USER MOD Single : A 11 THR OG1 : rot -91:sc= 0.953 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= 1.77 (180deg=0.512!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 1.85 (180deg=1.51) USER MOD Single : A 24 ASN : amide:sc= 0.705 K(o=0.71,f=-0.033) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 1.55 (180deg=1.45) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 1.65 (180deg=1.29!) USER MOD Single : A 35 ASN : amide:sc= -5.08! C(o=-5.1!,f=-6.4!) USER MOD Single : A 41 SER OG : rot 106:sc= 1.27 USER MOD Single : A 43 THR OG1 : rot 118:sc= 1.48 USER MOD Single : A 45 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.6) USER MOD Single : A 47 SER OG : rot -101:sc= 1.28 USER MOD Single : A 49 SER OG : rot -92:sc= 0.0685 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.49 K(o=-0.49,f=-3.5!) USER MOD Single : A 62 SER OG : rot 56:sc= 0.608 USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 2.16 (180deg=1.88) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0.328 (180deg=0.096) USER MOD Single : A 83 LYS NZ :NH3+ -148:sc= 1.55 (180deg=0.653) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.165 9.220 -2.094 1.00 0.00 N ATOM 2 CA MET A 1 13.802 8.879 -3.385 1.00 0.00 C ATOM 3 C MET A 1 14.535 7.540 -3.277 1.00 0.00 C ATOM 4 O MET A 1 14.396 6.694 -4.156 1.00 0.00 O ATOM 5 CB MET A 1 14.697 10.008 -3.911 1.00 0.00 C ATOM 6 CG MET A 1 15.125 9.746 -5.360 1.00 0.00 C ATOM 7 SD MET A 1 16.164 11.042 -6.093 1.00 0.00 S ATOM 8 CE MET A 1 17.692 10.818 -5.142 1.00 0.00 C ATOM 0 H1 MET A 1 12.258 9.697 -2.270 1.00 0.00 H new ATOM 0 H2 MET A 1 12.999 8.350 -1.548 1.00 0.00 H new ATOM 0 H3 MET A 1 13.790 9.853 -1.555 1.00 0.00 H new ATOM 0 HA MET A 1 13.016 8.765 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.163 10.956 -3.852 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.580 10.100 -3.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.666 8.801 -5.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.231 9.627 -5.972 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.479 11.442 -5.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.520 11.105 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.996 9.772 -5.183 1.00 0.00 H new ATOM 18 N GLU A 2 15.261 7.299 -2.182 1.00 0.00 N ATOM 19 CA GLU A 2 14.927 6.195 -1.276 1.00 0.00 C ATOM 20 C GLU A 2 13.401 5.996 -1.319 1.00 0.00 C ATOM 21 O GLU A 2 12.675 6.812 -0.755 1.00 0.00 O ATOM 22 CB GLU A 2 15.435 6.437 0.177 1.00 0.00 C ATOM 23 CG GLU A 2 16.055 7.800 0.576 1.00 0.00 C ATOM 24 CD GLU A 2 15.232 9.032 0.175 1.00 0.00 C ATOM 25 OE1 GLU A 2 14.108 9.253 0.663 1.00 0.00 O ATOM 26 OE2 GLU A 2 15.618 9.674 -0.828 1.00 0.00 O ATOM 0 H GLU A 2 16.075 7.846 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 2 15.435 5.290 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.593 6.258 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.180 5.670 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.198 7.814 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.043 7.879 0.122 1.00 0.00 H new ATOM 33 N LEU A 3 12.929 5.009 -2.092 1.00 0.00 N ATOM 34 CA LEU A 3 11.555 4.790 -2.522 1.00 0.00 C ATOM 35 C LEU A 3 10.814 6.086 -2.916 1.00 0.00 C ATOM 36 O LEU A 3 11.409 7.142 -3.163 1.00 0.00 O ATOM 37 CB LEU A 3 10.873 3.969 -1.415 1.00 0.00 C ATOM 38 CG LEU A 3 11.250 2.473 -1.363 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.650 1.834 -0.106 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.767 1.698 -2.599 1.00 0.00 C ATOM 0 H LEU A 3 13.553 4.290 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 3 11.530 4.229 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.115 4.420 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.793 4.049 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 3 12.338 2.418 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.918 0.778 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.040 2.336 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.565 1.933 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.059 0.652 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.682 1.767 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.217 2.125 -3.495 1.00 0.00 H new ATOM 52 N LYS A 4 9.499 6.006 -3.115 1.00 0.00 N ATOM 53 CA LYS A 4 8.645 7.157 -3.036 1.00 0.00 C ATOM 54 C LYS A 4 8.498 7.469 -1.560 1.00 0.00 C ATOM 55 O LYS A 4 8.390 6.573 -0.732 1.00 0.00 O ATOM 56 CB LYS A 4 7.331 6.955 -3.789 1.00 0.00 C ATOM 57 CG LYS A 4 7.451 7.217 -5.288 1.00 0.00 C ATOM 58 CD LYS A 4 8.072 6.187 -6.227 1.00 0.00 C ATOM 59 CE LYS A 4 7.815 6.807 -7.612 1.00 0.00 C ATOM 60 NZ LYS A 4 8.320 5.995 -8.729 1.00 0.00 N ATOM 0 H LYS A 4 9.011 5.137 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 4 9.075 8.022 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.983 5.934 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.574 7.618 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.445 7.417 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.022 8.138 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.136 6.050 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.602 5.209 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.743 6.957 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.281 7.792 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.862 6.297 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.349 6.121 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.107 4.992 -8.553 1.00 0.00 H new ATOM 74 N ASN A 5 8.542 8.752 -1.221 1.00 0.00 N ATOM 75 CA ASN A 5 8.477 9.157 0.175 1.00 0.00 C ATOM 76 C ASN A 5 7.032 9.212 0.660 1.00 0.00 C ATOM 77 O ASN A 5 6.815 9.421 1.849 1.00 0.00 O ATOM 78 CB ASN A 5 9.172 10.513 0.373 1.00 0.00 C ATOM 79 CG ASN A 5 10.661 10.406 0.078 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.088 10.701 -1.038 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.446 9.933 1.030 1.00 0.00 N ATOM 0 H ASN A 5 8.622 9.521 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 5 9.002 8.411 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 5 8.720 11.258 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.023 10.857 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.442 9.802 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.056 9.699 1.943 1.00 0.00 H new ATOM 88 N SER A 6 6.027 9.115 -0.223 1.00 0.00 N ATOM 89 CA SER A 6 4.642 9.340 0.142 1.00 0.00 C ATOM 90 C SER A 6 3.720 8.823 -0.932 1.00 0.00 C ATOM 91 O SER A 6 4.100 8.730 -2.103 1.00 0.00 O ATOM 92 CB SER A 6 4.405 10.838 0.255 1.00 0.00 C ATOM 93 OG SER A 6 5.207 11.497 1.212 1.00 0.00 O ATOM 0 H SER A 6 6.163 8.878 -1.206 1.00 0.00 H new ATOM 0 HA SER A 6 4.444 8.826 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.580 11.293 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.357 11.008 0.502 1.00 0.00 H new ATOM 0 HG SER A 6 4.991 12.453 1.217 1.00 0.00 H new ATOM 99 N ILE A 7 2.478 8.575 -0.516 1.00 0.00 N ATOM 100 CA ILE A 7 1.439 7.973 -1.333 1.00 0.00 C ATOM 101 C ILE A 7 1.300 8.743 -2.626 1.00 0.00 C ATOM 102 O ILE A 7 1.114 8.157 -3.681 1.00 0.00 O ATOM 103 CB ILE A 7 0.129 7.919 -0.525 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.134 6.675 0.367 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.167 8.000 -1.355 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.114 5.364 -0.348 1.00 0.00 C ATOM 0 H ILE A 7 2.164 8.796 0.429 1.00 0.00 H new ATOM 0 HA ILE A 7 1.701 6.949 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 7 0.113 8.827 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.097 6.616 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.626 6.798 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.029 7.953 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.186 8.939 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.204 7.165 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.090 4.546 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.090 5.393 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.659 5.208 -1.100 1.00 0.00 H new ATOM 118 N SER A 8 1.445 10.058 -2.576 1.00 0.00 N ATOM 119 CA SER A 8 1.165 10.922 -3.675 1.00 0.00 C ATOM 120 C SER A 8 2.280 10.961 -4.721 1.00 0.00 C ATOM 121 O SER A 8 2.146 11.638 -5.748 1.00 0.00 O ATOM 122 CB SER A 8 0.864 12.222 -2.957 1.00 0.00 C ATOM 123 OG SER A 8 -0.390 12.137 -2.289 1.00 0.00 O ATOM 0 H SER A 8 1.769 10.550 -1.743 1.00 0.00 H new ATOM 0 HA SER A 8 0.339 10.607 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.653 12.439 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.848 13.045 -3.671 1.00 0.00 H new ATOM 0 HG SER A 8 -1.019 11.623 -2.837 1.00 0.00 H new ATOM 129 N ASP A 9 3.320 10.150 -4.533 1.00 0.00 N ATOM 130 CA ASP A 9 4.218 9.763 -5.605 1.00 0.00 C ATOM 131 C ASP A 9 4.025 8.305 -6.033 1.00 0.00 C ATOM 132 O ASP A 9 4.342 7.955 -7.166 1.00 0.00 O ATOM 133 CB ASP A 9 5.664 10.087 -5.219 1.00 0.00 C ATOM 134 CG ASP A 9 6.411 10.579 -6.466 1.00 0.00 C ATOM 135 OD1 ASP A 9 5.986 11.640 -6.985 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.323 9.884 -6.955 1.00 0.00 O ATOM 0 H ASP A 9 3.559 9.745 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 9 3.970 10.351 -6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.685 10.850 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.153 9.202 -4.811 1.00 0.00 H new ATOM 141 N TYR A 10 3.427 7.476 -5.174 1.00 0.00 N ATOM 142 CA TYR A 10 3.265 6.023 -5.288 1.00 0.00 C ATOM 143 C TYR A 10 2.113 5.645 -6.211 1.00 0.00 C ATOM 144 O TYR A 10 1.129 5.056 -5.788 1.00 0.00 O ATOM 145 CB TYR A 10 3.018 5.447 -3.891 1.00 0.00 C ATOM 146 CG TYR A 10 4.211 4.814 -3.271 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.588 3.549 -3.734 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.884 5.427 -2.213 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.699 2.889 -3.193 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.998 4.773 -1.673 1.00 0.00 C ATOM 151 CZ TYR A 10 6.416 3.514 -2.155 1.00 0.00 C ATOM 152 OH TYR A 10 7.475 2.891 -1.587 1.00 0.00 O ATOM 0 H TYR A 10 3.011 7.830 -4.313 1.00 0.00 H new ATOM 0 HA TYR A 10 4.175 5.609 -5.722 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.665 6.246 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.219 4.708 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.016 3.075 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.555 6.378 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.999 1.920 -3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.549 5.242 -0.871 1.00 0.00 H new ATOM 0 HH TYR A 10 7.498 3.093 -0.628 1.00 0.00 H new ATOM 162 N THR A 11 2.229 6.033 -7.470 1.00 0.00 N ATOM 163 CA THR A 11 1.355 5.759 -8.595 1.00 0.00 C ATOM 164 C THR A 11 0.633 4.453 -8.369 1.00 0.00 C ATOM 165 O THR A 11 1.221 3.491 -7.885 1.00 0.00 O ATOM 166 CB THR A 11 2.097 5.664 -9.936 1.00 0.00 C ATOM 167 OG1 THR A 11 3.020 4.613 -9.970 1.00 0.00 O ATOM 168 CG2 THR A 11 2.830 6.909 -10.420 1.00 0.00 C ATOM 0 H THR A 11 3.021 6.608 -7.757 1.00 0.00 H new ATOM 0 HA THR A 11 0.664 6.600 -8.654 1.00 0.00 H new ATOM 0 HB THR A 11 1.259 5.501 -10.613 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.895 4.936 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.308 6.701 -11.377 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.119 7.726 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.588 7.192 -9.690 1.00 0.00 H new ATOM 176 N GLU A 12 -0.637 4.447 -8.744 1.00 0.00 N ATOM 177 CA GLU A 12 -1.535 3.347 -8.366 1.00 0.00 C ATOM 178 C GLU A 12 -0.892 1.959 -8.547 1.00 0.00 C ATOM 179 O GLU A 12 -1.007 1.102 -7.671 1.00 0.00 O ATOM 180 CB GLU A 12 -2.875 3.464 -9.120 1.00 0.00 C ATOM 181 CG GLU A 12 -4.114 3.205 -8.239 1.00 0.00 C ATOM 182 CD GLU A 12 -5.043 2.049 -8.661 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.577 1.010 -9.186 1.00 0.00 O ATOM 184 OE2 GLU A 12 -6.261 2.151 -8.371 1.00 0.00 O ATOM 0 H GLU A 12 -1.073 5.179 -9.304 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.732 3.442 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.951 4.462 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.877 2.756 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.772 3.011 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.705 4.120 -8.208 1.00 0.00 H new ATOM 191 N THR A 13 -0.131 1.764 -9.627 1.00 0.00 N ATOM 192 CA THR A 13 0.509 0.481 -9.898 1.00 0.00 C ATOM 193 C THR A 13 1.885 0.345 -9.191 1.00 0.00 C ATOM 194 O THR A 13 2.302 -0.780 -8.939 1.00 0.00 O ATOM 195 CB THR A 13 0.631 0.299 -11.423 1.00 0.00 C ATOM 196 OG1 THR A 13 -0.595 0.642 -12.048 1.00 0.00 O ATOM 197 CG2 THR A 13 0.956 -1.141 -11.833 1.00 0.00 C ATOM 0 H THR A 13 0.055 2.482 -10.327 1.00 0.00 H new ATOM 0 HA THR A 13 -0.113 -0.314 -9.486 1.00 0.00 H new ATOM 0 HB THR A 13 1.449 0.947 -11.738 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.512 0.526 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.029 -1.203 -12.919 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.905 -1.441 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.166 -1.806 -11.484 1.00 0.00 H new ATOM 205 N GLU A 14 2.619 1.405 -8.819 1.00 0.00 N ATOM 206 CA GLU A 14 3.789 1.250 -7.966 1.00 0.00 C ATOM 207 C GLU A 14 3.402 0.919 -6.529 1.00 0.00 C ATOM 208 O GLU A 14 4.090 0.098 -5.921 1.00 0.00 O ATOM 209 CB GLU A 14 4.643 2.513 -8.022 1.00 0.00 C ATOM 210 CG GLU A 14 5.251 2.625 -9.422 1.00 0.00 C ATOM 211 CD GLU A 14 6.160 3.843 -9.519 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.658 4.989 -9.421 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.395 3.680 -9.624 1.00 0.00 O ATOM 0 H GLU A 14 2.419 2.366 -9.096 1.00 0.00 H new ATOM 0 HA GLU A 14 4.372 0.409 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.036 3.391 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.430 2.472 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.818 1.723 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.456 2.698 -10.164 1.00 0.00 H new ATOM 220 N PHE A 15 2.314 1.483 -5.974 1.00 0.00 N ATOM 221 CA PHE A 15 1.882 0.993 -4.662 1.00 0.00 C ATOM 222 C PHE A 15 1.401 -0.448 -4.759 1.00 0.00 C ATOM 223 O PHE A 15 1.582 -1.211 -3.821 1.00 0.00 O ATOM 224 CB PHE A 15 0.809 1.872 -4.023 1.00 0.00 C ATOM 225 CG PHE A 15 0.741 1.778 -2.503 1.00 0.00 C ATOM 226 CD1 PHE A 15 1.897 1.994 -1.729 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.475 1.545 -1.835 1.00 0.00 C ATOM 228 CE1 PHE A 15 1.815 2.134 -0.335 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.555 1.712 -0.447 1.00 0.00 C ATOM 230 CZ PHE A 15 0.570 2.068 0.306 1.00 0.00 C ATOM 0 H PHE A 15 1.752 2.229 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 15 2.755 1.037 -4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.992 2.909 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.162 1.597 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.860 2.053 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.347 1.237 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.712 2.293 0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.502 1.563 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.481 2.287 1.360 1.00 0.00 H new ATOM 240 N LYS A 16 0.858 -0.857 -5.908 1.00 0.00 N ATOM 241 CA LYS A 16 0.667 -2.262 -6.215 1.00 0.00 C ATOM 242 C LYS A 16 1.974 -2.989 -6.032 1.00 0.00 C ATOM 243 O LYS A 16 1.969 -3.832 -5.161 1.00 0.00 O ATOM 244 CB LYS A 16 0.167 -2.385 -7.662 1.00 0.00 C ATOM 245 CG LYS A 16 -0.991 -3.320 -7.932 1.00 0.00 C ATOM 246 CD LYS A 16 -2.238 -2.722 -7.300 1.00 0.00 C ATOM 247 CE LYS A 16 -2.851 -1.433 -7.864 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.164 -1.411 -9.303 1.00 0.00 N ATOM 0 H LYS A 16 0.543 -0.223 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.071 -2.707 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.120 -1.390 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.006 -2.704 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.133 -3.450 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.789 -4.307 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.013 -3.488 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.011 -2.539 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.770 -1.227 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.164 -0.613 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.965 -0.770 -9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.334 -1.078 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.415 -2.370 -9.618 1.00 0.00 H new ATOM 262 N LYS A 17 3.061 -2.686 -6.755 1.00 0.00 N ATOM 263 CA LYS A 17 4.268 -3.497 -6.681 1.00 0.00 C ATOM 264 C LYS A 17 4.718 -3.686 -5.234 1.00 0.00 C ATOM 265 O LYS A 17 5.181 -4.768 -4.926 1.00 0.00 O ATOM 266 CB LYS A 17 5.370 -2.903 -7.566 1.00 0.00 C ATOM 267 CG LYS A 17 6.280 -3.956 -8.228 1.00 0.00 C ATOM 268 CD LYS A 17 7.180 -4.815 -7.311 1.00 0.00 C ATOM 269 CE LYS A 17 6.616 -6.230 -7.083 1.00 0.00 C ATOM 270 NZ LYS A 17 7.475 -7.094 -6.236 1.00 0.00 N ATOM 0 H LYS A 17 3.122 -1.891 -7.391 1.00 0.00 H new ATOM 0 HA LYS A 17 4.044 -4.491 -7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.908 -2.296 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.985 -2.234 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.646 -4.632 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.924 -3.441 -8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.174 -4.891 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.295 -4.315 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.633 -6.148 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.474 -6.713 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.946 -7.946 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.323 -7.371 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.759 -6.572 -5.383 1.00 0.00 H new ATOM 284 N ILE A 18 4.555 -2.698 -4.352 1.00 0.00 N ATOM 285 CA ILE A 18 4.792 -2.864 -2.918 1.00 0.00 C ATOM 286 C ILE A 18 3.841 -3.912 -2.312 1.00 0.00 C ATOM 287 O ILE A 18 4.272 -4.954 -1.827 1.00 0.00 O ATOM 288 CB ILE A 18 4.833 -1.464 -2.239 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.276 -1.235 -1.711 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.735 -1.068 -1.237 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.389 -0.346 -0.479 1.00 0.00 C ATOM 0 H ILE A 18 4.254 -1.759 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 18 5.773 -3.297 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 18 4.565 -0.761 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.718 -2.204 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.872 -0.795 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.926 -0.061 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.764 -1.094 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.735 -1.768 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.437 -0.251 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.984 0.641 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.828 -0.790 0.343 1.00 0.00 H new ATOM 303 N ILE A 19 2.530 -3.697 -2.363 1.00 0.00 N ATOM 304 CA ILE A 19 1.574 -4.546 -1.687 1.00 0.00 C ATOM 305 C ILE A 19 1.548 -5.960 -2.316 1.00 0.00 C ATOM 306 O ILE A 19 1.392 -6.957 -1.622 1.00 0.00 O ATOM 307 CB ILE A 19 0.274 -3.717 -1.704 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.186 -2.931 -0.378 1.00 0.00 C ATOM 309 CG2 ILE A 19 -1.067 -4.375 -1.940 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.446 -1.449 -0.519 1.00 0.00 C ATOM 0 H ILE A 19 2.107 -2.925 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 19 1.807 -4.793 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 19 0.402 -3.127 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.805 -3.075 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.904 -3.349 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.853 -3.620 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.066 -4.864 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.250 -5.117 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.365 -0.971 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.448 -1.292 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.287 -1.014 -1.198 1.00 0.00 H new ATOM 322 N GLU A 20 1.776 -6.071 -3.622 1.00 0.00 N ATOM 323 CA GLU A 20 2.100 -7.243 -4.399 1.00 0.00 C ATOM 324 C GLU A 20 3.339 -7.956 -3.872 1.00 0.00 C ATOM 325 O GLU A 20 3.311 -9.169 -3.716 1.00 0.00 O ATOM 326 CB GLU A 20 2.386 -6.710 -5.799 1.00 0.00 C ATOM 327 CG GLU A 20 2.331 -7.711 -6.923 1.00 0.00 C ATOM 328 CD GLU A 20 3.461 -7.429 -7.921 1.00 0.00 C ATOM 329 OE1 GLU A 20 3.362 -6.418 -8.652 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.472 -8.167 -7.878 1.00 0.00 O ATOM 0 H GLU A 20 1.731 -5.245 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 20 1.288 -7.969 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.671 -5.916 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.377 -6.255 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.426 -8.722 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.366 -7.655 -7.426 1.00 0.00 H new ATOM 337 N ASP A 21 4.432 -7.227 -3.639 1.00 0.00 N ATOM 338 CA ASP A 21 5.728 -7.726 -3.144 1.00 0.00 C ATOM 339 C ASP A 21 5.533 -8.672 -1.971 1.00 0.00 C ATOM 340 O ASP A 21 6.069 -9.778 -1.926 1.00 0.00 O ATOM 341 CB ASP A 21 6.619 -6.571 -2.657 1.00 0.00 C ATOM 342 CG ASP A 21 8.068 -6.971 -2.669 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.676 -6.827 -3.752 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.613 -7.394 -1.632 1.00 0.00 O ATOM 0 H ASP A 21 4.443 -6.219 -3.797 1.00 0.00 H new ATOM 0 HA ASP A 21 6.202 -8.243 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.473 -5.699 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.326 -6.280 -1.648 1.00 0.00 H new ATOM 349 N ILE A 22 4.685 -8.203 -1.069 1.00 0.00 N ATOM 350 CA ILE A 22 4.170 -8.839 0.122 1.00 0.00 C ATOM 351 C ILE A 22 3.403 -10.124 -0.215 1.00 0.00 C ATOM 352 O ILE A 22 3.691 -11.167 0.359 1.00 0.00 O ATOM 353 CB ILE A 22 3.385 -7.719 0.845 1.00 0.00 C ATOM 354 CG1 ILE A 22 4.250 -7.207 2.008 1.00 0.00 C ATOM 355 CG2 ILE A 22 1.942 -7.960 1.287 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.572 -6.043 2.715 1.00 0.00 C ATOM 0 H ILE A 22 4.302 -7.263 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 22 4.934 -9.222 0.799 1.00 0.00 H new ATOM 0 HB ILE A 22 3.215 -6.978 0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.428 -8.015 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.224 -6.892 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.557 -7.065 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.329 -8.191 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.910 -8.796 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.203 -5.698 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.417 -5.228 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.610 -6.368 3.110 1.00 0.00 H new ATOM 368 N ILE A 23 2.445 -10.073 -1.144 1.00 0.00 N ATOM 369 CA ILE A 23 1.612 -11.231 -1.504 1.00 0.00 C ATOM 370 C ILE A 23 2.388 -12.300 -2.304 1.00 0.00 C ATOM 371 O ILE A 23 2.075 -13.485 -2.198 1.00 0.00 O ATOM 372 CB ILE A 23 0.349 -10.748 -2.257 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.541 -9.793 -1.420 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.545 -11.899 -2.753 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.037 -10.333 -0.070 1.00 0.00 C ATOM 0 H ILE A 23 2.222 -9.228 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 23 1.305 -11.725 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 23 0.760 -10.210 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.019 -8.876 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.410 -9.521 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.412 -11.489 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.022 -12.531 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.879 -12.493 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.648 -9.576 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.633 -11.231 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.182 -10.575 0.561 1.00 0.00 H new ATOM 387 N ASN A 24 3.376 -11.923 -3.120 1.00 0.00 N ATOM 388 CA ASN A 24 4.337 -12.784 -3.763 1.00 0.00 C ATOM 389 C ASN A 24 5.228 -13.440 -2.719 1.00 0.00 C ATOM 390 O ASN A 24 5.626 -14.594 -2.862 1.00 0.00 O ATOM 391 CB ASN A 24 5.238 -11.827 -4.526 1.00 0.00 C ATOM 392 CG ASN A 24 4.824 -11.460 -5.914 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.942 -12.215 -6.872 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.447 -10.214 -5.992 1.00 0.00 N ATOM 0 H ASN A 24 3.524 -10.942 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 24 3.846 -13.547 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.324 -10.909 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.234 -12.268 -4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.226 -9.804 -6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.373 -9.650 -5.146 1.00 0.00 H new ATOM 401 N CYS A 25 5.599 -12.608 -1.747 1.00 0.00 N ATOM 402 CA CYS A 25 6.630 -12.807 -0.736 1.00 0.00 C ATOM 403 C CYS A 25 8.001 -12.779 -1.420 1.00 0.00 C ATOM 404 O CYS A 25 8.764 -13.744 -1.368 1.00 0.00 O ATOM 405 CB CYS A 25 6.405 -14.083 0.096 1.00 0.00 C ATOM 406 SG CYS A 25 4.745 -14.144 0.836 1.00 0.00 S ATOM 0 H CYS A 25 5.146 -11.701 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 25 6.580 -11.994 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.549 -14.957 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.154 -14.135 0.886 1.00 0.00 H new ATOM 0 HG CYS A 25 4.167 -12.987 0.701 1.00 0.00 H new ATOM 411 N GLU A 26 8.317 -11.678 -2.107 1.00 0.00 N ATOM 412 CA GLU A 26 9.509 -11.460 -2.886 1.00 0.00 C ATOM 413 C GLU A 26 10.745 -11.211 -2.004 1.00 0.00 C ATOM 414 O GLU A 26 11.461 -10.220 -2.160 1.00 0.00 O ATOM 415 CB GLU A 26 9.230 -10.307 -3.870 1.00 0.00 C ATOM 416 CG GLU A 26 10.236 -10.301 -5.023 1.00 0.00 C ATOM 417 CD GLU A 26 10.455 -8.902 -5.627 1.00 0.00 C ATOM 418 OE1 GLU A 26 9.714 -8.537 -6.573 1.00 0.00 O ATOM 419 OE2 GLU A 26 11.377 -8.196 -5.150 1.00 0.00 O ATOM 0 H GLU A 26 7.696 -10.869 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 26 9.753 -12.360 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.219 -10.402 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.276 -9.355 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.190 -10.690 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.888 -10.977 -5.804 1.00 0.00 H new ATOM 426 N GLY A 27 11.014 -12.086 -1.045 1.00 0.00 N ATOM 427 CA GLY A 27 12.036 -11.822 -0.045 1.00 0.00 C ATOM 428 C GLY A 27 12.023 -12.786 1.124 1.00 0.00 C ATOM 429 O GLY A 27 11.473 -13.883 1.053 1.00 0.00 O ATOM 0 H GLY A 27 10.539 -12.983 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.015 -11.861 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.906 -10.808 0.333 1.00 0.00 H new ATOM 433 N ASP A 28 12.721 -12.380 2.181 1.00 0.00 N ATOM 434 CA ASP A 28 12.768 -12.967 3.481 1.00 0.00 C ATOM 435 C ASP A 28 11.637 -12.355 4.320 1.00 0.00 C ATOM 436 O ASP A 28 10.610 -11.920 3.799 1.00 0.00 O ATOM 437 CB ASP A 28 14.165 -12.624 4.018 1.00 0.00 C ATOM 438 CG ASP A 28 14.286 -11.181 4.520 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.936 -10.255 3.750 1.00 0.00 O ATOM 440 OD2 ASP A 28 14.657 -11.025 5.702 1.00 0.00 O ATOM 0 H ASP A 28 13.317 -11.554 2.125 1.00 0.00 H new ATOM 0 HA ASP A 28 12.621 -14.047 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.411 -13.306 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.900 -12.790 3.230 1.00 0.00 H new ATOM 445 N GLU A 29 11.823 -12.341 5.632 1.00 0.00 N ATOM 446 CA GLU A 29 10.986 -11.642 6.597 1.00 0.00 C ATOM 447 C GLU A 29 11.110 -10.138 6.374 1.00 0.00 C ATOM 448 O GLU A 29 10.104 -9.462 6.152 1.00 0.00 O ATOM 449 CB GLU A 29 11.417 -12.043 8.024 1.00 0.00 C ATOM 450 CG GLU A 29 11.156 -13.528 8.346 1.00 0.00 C ATOM 451 CD GLU A 29 11.883 -13.991 9.618 1.00 0.00 C ATOM 452 OE1 GLU A 29 11.496 -13.539 10.719 1.00 0.00 O ATOM 453 OE2 GLU A 29 12.818 -14.817 9.486 1.00 0.00 O ATOM 0 H GLU A 29 12.596 -12.839 6.073 1.00 0.00 H new ATOM 0 HA GLU A 29 9.939 -11.917 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.479 -11.833 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.884 -11.423 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.084 -13.688 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.478 -14.141 7.504 1.00 0.00 H new ATOM 460 N LYS A 30 12.320 -9.572 6.427 1.00 0.00 N ATOM 461 CA LYS A 30 12.530 -8.179 6.512 1.00 0.00 C ATOM 462 C LYS A 30 12.049 -7.388 5.366 1.00 0.00 C ATOM 463 O LYS A 30 11.618 -6.287 5.633 1.00 0.00 O ATOM 464 CB LYS A 30 14.024 -8.002 6.713 1.00 0.00 C ATOM 465 CG LYS A 30 14.345 -8.471 8.140 1.00 0.00 C ATOM 466 CD LYS A 30 13.654 -7.619 9.223 1.00 0.00 C ATOM 467 CE LYS A 30 13.798 -6.135 8.877 1.00 0.00 C ATOM 468 NZ LYS A 30 12.581 -5.459 8.357 1.00 0.00 N ATOM 0 H LYS A 30 13.185 -10.112 6.410 1.00 0.00 H new ATOM 0 HA LYS A 30 11.935 -7.789 7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.583 -8.585 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.310 -6.959 6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.038 -9.511 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.424 -8.439 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.600 -7.886 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.099 -7.821 10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.128 -5.606 9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.590 -6.032 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.809 -4.475 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.241 -5.959 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.840 -5.470 9.086 1.00 0.00 H new ATOM 482 N LYS A 31 12.111 -7.899 4.159 1.00 0.00 N ATOM 483 CA LYS A 31 11.635 -7.239 2.986 1.00 0.00 C ATOM 484 C LYS A 31 10.129 -6.994 3.099 1.00 0.00 C ATOM 485 O LYS A 31 9.672 -5.889 2.814 1.00 0.00 O ATOM 486 CB LYS A 31 12.103 -8.165 1.860 1.00 0.00 C ATOM 487 CG LYS A 31 11.437 -8.015 0.513 1.00 0.00 C ATOM 488 CD LYS A 31 11.516 -6.632 -0.163 1.00 0.00 C ATOM 489 CE LYS A 31 11.994 -6.671 -1.632 1.00 0.00 C ATOM 490 NZ LYS A 31 11.156 -7.515 -2.508 1.00 0.00 N ATOM 0 H LYS A 31 12.510 -8.819 3.970 1.00 0.00 H new ATOM 0 HA LYS A 31 12.018 -6.234 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.174 -8.015 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.964 -9.194 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.876 -8.747 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.385 -8.276 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.532 -6.165 -0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.192 -5.998 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.008 -5.655 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.020 -7.039 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.106 -7.090 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.573 -8.465 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.198 -7.585 -2.109 1.00 0.00 H new ATOM 504 N GLN A 32 9.370 -7.992 3.551 1.00 0.00 N ATOM 505 CA GLN A 32 7.939 -7.883 3.771 1.00 0.00 C ATOM 506 C GLN A 32 7.649 -6.952 4.951 1.00 0.00 C ATOM 507 O GLN A 32 6.782 -6.092 4.835 1.00 0.00 O ATOM 508 CB GLN A 32 7.356 -9.288 3.982 1.00 0.00 C ATOM 509 CG GLN A 32 7.788 -10.232 2.848 1.00 0.00 C ATOM 510 CD GLN A 32 7.128 -11.600 2.951 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.929 -11.743 2.768 1.00 0.00 O ATOM 512 NE2 GLN A 32 7.898 -12.637 3.235 1.00 0.00 N ATOM 0 H GLN A 32 9.745 -8.913 3.777 1.00 0.00 H new ATOM 0 HA GLN A 32 7.458 -7.442 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.690 -9.686 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.268 -9.233 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.537 -9.781 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.871 -10.351 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.898 -12.504 3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.492 -13.570 3.303 1.00 0.00 H new ATOM 521 N ASP A 33 8.385 -7.076 6.061 1.00 0.00 N ATOM 522 CA ASP A 33 8.281 -6.166 7.219 1.00 0.00 C ATOM 523 C ASP A 33 8.598 -4.716 6.862 1.00 0.00 C ATOM 524 O ASP A 33 7.949 -3.785 7.333 1.00 0.00 O ATOM 525 CB ASP A 33 9.277 -6.644 8.274 1.00 0.00 C ATOM 526 CG ASP A 33 9.278 -5.848 9.579 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.221 -5.774 10.236 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.402 -5.429 9.956 1.00 0.00 O ATOM 0 H ASP A 33 9.077 -7.815 6.187 1.00 0.00 H new ATOM 0 HA ASP A 33 7.253 -6.189 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.064 -7.688 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.279 -6.610 7.846 1.00 0.00 H new ATOM 533 N ASP A 34 9.578 -4.535 5.984 1.00 0.00 N ATOM 534 CA ASP A 34 10.120 -3.253 5.582 1.00 0.00 C ATOM 535 C ASP A 34 9.037 -2.527 4.789 1.00 0.00 C ATOM 536 O ASP A 34 8.731 -1.361 5.039 1.00 0.00 O ATOM 537 CB ASP A 34 11.384 -3.441 4.709 1.00 0.00 C ATOM 538 CG ASP A 34 12.723 -3.160 5.411 1.00 0.00 C ATOM 539 OD1 ASP A 34 12.860 -3.463 6.623 1.00 0.00 O ATOM 540 OD2 ASP A 34 13.655 -2.698 4.715 1.00 0.00 O ATOM 0 H ASP A 34 10.034 -5.317 5.514 1.00 0.00 H new ATOM 0 HA ASP A 34 10.411 -2.675 6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.397 -4.465 4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.305 -2.787 3.841 1.00 0.00 H new ATOM 545 N ASN A 35 8.405 -3.252 3.855 1.00 0.00 N ATOM 546 CA ASN A 35 7.178 -2.805 3.215 1.00 0.00 C ATOM 547 C ASN A 35 6.126 -2.519 4.260 1.00 0.00 C ATOM 548 O ASN A 35 5.411 -1.542 4.110 1.00 0.00 O ATOM 549 CB ASN A 35 6.628 -3.858 2.241 1.00 0.00 C ATOM 550 CG ASN A 35 5.325 -3.443 1.545 1.00 0.00 C ATOM 551 OD1 ASN A 35 5.308 -3.382 0.332 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.208 -3.175 2.224 1.00 0.00 N ATOM 0 H ASN A 35 8.735 -4.160 3.529 1.00 0.00 H new ATOM 0 HA ASN A 35 7.415 -1.901 2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.383 -4.066 1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.458 -4.787 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.355 -2.923 1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.207 -3.222 3.243 1.00 0.00 H new ATOM 559 N LEU A 36 5.901 -3.400 5.227 1.00 0.00 N ATOM 560 CA LEU A 36 4.749 -3.322 6.090 1.00 0.00 C ATOM 561 C LEU A 36 4.692 -2.011 6.866 1.00 0.00 C ATOM 562 O LEU A 36 3.695 -1.294 6.799 1.00 0.00 O ATOM 563 CB LEU A 36 4.690 -4.601 6.935 1.00 0.00 C ATOM 564 CG LEU A 36 3.716 -5.631 6.357 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.631 -6.833 7.295 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.315 -5.094 6.025 1.00 0.00 C ATOM 0 H LEU A 36 6.518 -4.187 5.428 1.00 0.00 H new ATOM 0 HA LEU A 36 3.830 -3.287 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.686 -5.040 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.389 -4.349 7.952 1.00 0.00 H new ATOM 0 HG LEU A 36 4.128 -5.924 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.938 -7.567 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.618 -7.284 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.277 -6.507 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.702 -5.900 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.851 -4.703 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.397 -4.297 5.286 1.00 0.00 H new ATOM 578 N GLU A 37 5.801 -1.654 7.493 1.00 0.00 N ATOM 579 CA GLU A 37 5.999 -0.338 8.116 1.00 0.00 C ATOM 580 C GLU A 37 5.761 0.735 7.070 1.00 0.00 C ATOM 581 O GLU A 37 4.965 1.645 7.292 1.00 0.00 O ATOM 582 CB GLU A 37 7.408 -0.205 8.726 1.00 0.00 C ATOM 583 CG GLU A 37 7.615 1.060 9.595 1.00 0.00 C ATOM 584 CD GLU A 37 7.622 2.423 8.868 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.146 2.522 7.736 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.126 3.405 9.471 1.00 0.00 O ATOM 0 H GLU A 37 6.606 -2.273 7.590 1.00 0.00 H new ATOM 0 HA GLU A 37 5.289 -0.222 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.611 -1.086 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.141 -0.200 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.829 1.084 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.562 0.955 10.125 1.00 0.00 H new ATOM 593 N HIS A 38 6.386 0.601 5.903 1.00 0.00 N ATOM 594 CA HIS A 38 6.281 1.607 4.871 1.00 0.00 C ATOM 595 C HIS A 38 4.821 1.846 4.462 1.00 0.00 C ATOM 596 O HIS A 38 4.406 2.991 4.321 1.00 0.00 O ATOM 597 CB HIS A 38 7.149 1.191 3.689 1.00 0.00 C ATOM 598 CG HIS A 38 7.225 2.289 2.687 1.00 0.00 C ATOM 599 ND1 HIS A 38 7.886 3.480 2.866 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.472 2.367 1.553 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.546 4.273 1.841 1.00 0.00 C ATOM 602 NE2 HIS A 38 6.714 3.627 1.010 1.00 0.00 N ATOM 0 H HIS A 38 6.969 -0.199 5.656 1.00 0.00 H new ATOM 0 HA HIS A 38 6.643 2.561 5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.151 0.938 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.737 0.295 3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.819 1.605 1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.892 5.287 1.703 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.329 3.992 0.139 1.00 0.00 H new ATOM 610 N PHE A 39 4.041 0.778 4.307 1.00 0.00 N ATOM 611 CA PHE A 39 2.601 0.707 4.037 1.00 0.00 C ATOM 612 C PHE A 39 1.750 1.303 5.159 1.00 0.00 C ATOM 613 O PHE A 39 0.579 1.619 4.936 1.00 0.00 O ATOM 614 CB PHE A 39 2.230 -0.767 3.814 1.00 0.00 C ATOM 615 CG PHE A 39 0.754 -1.083 3.629 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.038 -0.471 2.592 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.101 -2.017 4.454 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.331 -0.725 2.407 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.264 -2.303 4.243 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.988 -1.621 3.261 1.00 0.00 C ATOM 0 H PHE A 39 4.441 -0.158 4.374 1.00 0.00 H new ATOM 0 HA PHE A 39 2.390 1.305 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.766 -1.123 2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.596 -1.342 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.547 0.207 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.643 -2.513 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.873 -0.234 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.753 -3.055 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.051 -1.784 3.161 1.00 0.00 H new ATOM 630 N ILE A 40 2.298 1.507 6.350 1.00 0.00 N ATOM 631 CA ILE A 40 1.710 2.454 7.300 1.00 0.00 C ATOM 632 C ILE A 40 2.169 3.873 6.996 1.00 0.00 C ATOM 633 O ILE A 40 1.330 4.775 6.959 1.00 0.00 O ATOM 634 CB ILE A 40 2.044 2.106 8.786 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.171 0.956 9.317 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.815 3.279 9.766 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.622 -0.359 8.712 1.00 0.00 C ATOM 0 H ILE A 40 3.140 1.037 6.683 1.00 0.00 H new ATOM 0 HA ILE A 40 0.629 2.380 7.179 1.00 0.00 H new ATOM 0 HB ILE A 40 3.101 1.840 8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.240 0.908 10.404 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.125 1.139 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.068 2.962 10.778 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.447 4.120 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.769 3.583 9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.999 -1.168 9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.530 -0.311 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.662 -0.545 8.980 1.00 0.00 H new ATOM 649 N SER A 41 3.468 4.064 6.772 1.00 0.00 N ATOM 650 CA SER A 41 4.101 5.347 6.937 1.00 0.00 C ATOM 651 C SER A 41 3.885 6.342 5.783 1.00 0.00 C ATOM 652 O SER A 41 3.856 7.557 5.965 1.00 0.00 O ATOM 653 CB SER A 41 5.584 5.101 7.222 1.00 0.00 C ATOM 654 OG SER A 41 5.953 5.513 8.521 1.00 0.00 O ATOM 0 H SER A 41 4.102 3.324 6.471 1.00 0.00 H new ATOM 0 HA SER A 41 3.619 5.848 7.776 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.804 4.040 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.187 5.636 6.488 1.00 0.00 H new ATOM 0 HG SER A 41 6.081 4.725 9.090 1.00 0.00 H new ATOM 660 N VAL A 42 3.796 5.818 4.564 1.00 0.00 N ATOM 661 CA VAL A 42 3.547 6.524 3.305 1.00 0.00 C ATOM 662 C VAL A 42 2.086 6.964 3.217 1.00 0.00 C ATOM 663 O VAL A 42 1.768 8.021 2.652 1.00 0.00 O ATOM 664 CB VAL A 42 4.010 5.554 2.241 1.00 0.00 C ATOM 665 CG1 VAL A 42 3.175 4.306 1.982 1.00 0.00 C ATOM 666 CG2 VAL A 42 4.286 6.141 0.903 1.00 0.00 C ATOM 0 H VAL A 42 3.904 4.814 4.416 1.00 0.00 H new ATOM 0 HA VAL A 42 4.087 7.464 3.194 1.00 0.00 H new ATOM 0 HB VAL A 42 4.929 5.255 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.639 3.715 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.117 3.711 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.171 4.598 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.611 5.355 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.379 6.606 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.071 6.893 0.990 1.00 0.00 H new ATOM 676 N THR A 43 1.221 6.090 3.722 1.00 0.00 N ATOM 677 CA THR A 43 -0.193 6.196 4.016 1.00 0.00 C ATOM 678 C THR A 43 -0.338 6.932 5.364 1.00 0.00 C ATOM 679 O THR A 43 0.585 7.571 5.854 1.00 0.00 O ATOM 680 CB THR A 43 -0.772 4.748 4.022 1.00 0.00 C ATOM 681 OG1 THR A 43 0.199 3.787 3.659 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.806 4.552 2.938 1.00 0.00 C ATOM 0 H THR A 43 1.553 5.157 3.967 1.00 0.00 H new ATOM 0 HA THR A 43 -0.753 6.770 3.278 1.00 0.00 H new ATOM 0 HB THR A 43 -1.159 4.625 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.339 3.166 4.404 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.184 3.530 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.629 5.250 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.351 4.734 1.964 1.00 0.00 H new ATOM 690 N GLU A 44 -1.541 6.924 5.932 1.00 0.00 N ATOM 691 CA GLU A 44 -1.780 7.138 7.346 1.00 0.00 C ATOM 692 C GLU A 44 -2.850 6.117 7.772 1.00 0.00 C ATOM 693 O GLU A 44 -3.584 6.337 8.733 1.00 0.00 O ATOM 694 CB GLU A 44 -2.214 8.564 7.744 1.00 0.00 C ATOM 695 CG GLU A 44 -1.404 9.774 7.243 1.00 0.00 C ATOM 696 CD GLU A 44 -1.916 10.278 5.894 1.00 0.00 C ATOM 697 OE1 GLU A 44 -3.142 10.194 5.649 1.00 0.00 O ATOM 698 OE2 GLU A 44 -1.156 10.770 5.039 1.00 0.00 O ATOM 0 H GLU A 44 -2.397 6.763 5.401 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.829 7.005 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.242 8.698 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.227 8.609 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.460 10.578 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.354 9.497 7.153 1.00 0.00 H new ATOM 705 N HIS A 45 -3.060 5.083 6.946 1.00 0.00 N ATOM 706 CA HIS A 45 -4.255 4.268 6.946 1.00 0.00 C ATOM 707 C HIS A 45 -4.206 3.420 8.230 1.00 0.00 C ATOM 708 O HIS A 45 -3.252 2.663 8.382 1.00 0.00 O ATOM 709 CB HIS A 45 -4.322 3.450 5.638 1.00 0.00 C ATOM 710 CG HIS A 45 -5.635 2.678 5.535 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.951 1.659 6.411 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.743 2.867 4.715 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.226 1.305 6.192 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.730 2.010 5.183 1.00 0.00 N ATOM 0 H HIS A 45 -2.378 4.793 6.246 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.175 4.852 6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.222 4.118 4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.484 2.754 5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.820 3.546 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.765 0.556 6.753 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.679 1.934 4.816 1.00 0.00 H new ATOM 722 N PRO A 46 -5.175 3.537 9.158 1.00 0.00 N ATOM 723 CA PRO A 46 -5.101 2.941 10.488 1.00 0.00 C ATOM 724 C PRO A 46 -4.969 1.421 10.441 1.00 0.00 C ATOM 725 O PRO A 46 -4.122 0.869 11.133 1.00 0.00 O ATOM 726 CB PRO A 46 -6.352 3.408 11.247 1.00 0.00 C ATOM 727 CG PRO A 46 -7.247 4.074 10.198 1.00 0.00 C ATOM 728 CD PRO A 46 -6.295 4.442 9.078 1.00 0.00 C ATOM 0 HA PRO A 46 -4.200 3.269 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.860 2.567 11.719 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.090 4.108 12.040 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.027 3.396 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.747 4.955 10.602 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.789 4.359 8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.963 5.475 9.179 1.00 0.00 H new ATOM 736 N SER A 47 -5.748 0.760 9.585 1.00 0.00 N ATOM 737 CA SER A 47 -5.629 -0.665 9.304 1.00 0.00 C ATOM 738 C SER A 47 -4.545 -0.940 8.243 1.00 0.00 C ATOM 739 O SER A 47 -4.653 -1.849 7.421 1.00 0.00 O ATOM 740 CB SER A 47 -7.012 -1.222 8.949 1.00 0.00 C ATOM 741 OG SER A 47 -7.819 -1.300 10.101 1.00 0.00 O ATOM 0 H SER A 47 -6.495 1.213 9.058 1.00 0.00 H new ATOM 0 HA SER A 47 -5.286 -1.197 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.489 -0.583 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.909 -2.210 8.501 1.00 0.00 H new ATOM 0 HG SER A 47 -7.839 -2.225 10.424 1.00 0.00 H new ATOM 747 N GLY A 48 -3.495 -0.118 8.200 1.00 0.00 N ATOM 748 CA GLY A 48 -2.237 -0.506 7.586 1.00 0.00 C ATOM 749 C GLY A 48 -1.800 -1.853 8.169 1.00 0.00 C ATOM 750 O GLY A 48 -1.952 -2.115 9.360 1.00 0.00 O ATOM 0 H GLY A 48 -3.498 0.825 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.352 -0.582 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.476 0.251 7.773 1.00 0.00 H new ATOM 754 N SER A 49 -1.304 -2.724 7.298 1.00 0.00 N ATOM 755 CA SER A 49 -0.992 -4.143 7.451 1.00 0.00 C ATOM 756 C SER A 49 -2.220 -5.017 7.701 1.00 0.00 C ATOM 757 O SER A 49 -2.309 -6.114 7.160 1.00 0.00 O ATOM 758 CB SER A 49 0.029 -4.348 8.587 1.00 0.00 C ATOM 759 OG SER A 49 0.604 -5.639 8.576 1.00 0.00 O ATOM 0 H SER A 49 -1.084 -2.415 6.351 1.00 0.00 H new ATOM 0 HA SER A 49 -0.568 -4.461 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.819 -3.602 8.499 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.462 -4.181 9.546 1.00 0.00 H new ATOM 0 HG SER A 49 0.076 -6.237 9.145 1.00 0.00 H new ATOM 765 N ASP A 50 -3.174 -4.542 8.483 1.00 0.00 N ATOM 766 CA ASP A 50 -4.446 -5.199 8.787 1.00 0.00 C ATOM 767 C ASP A 50 -5.243 -5.431 7.494 1.00 0.00 C ATOM 768 O ASP A 50 -5.919 -6.443 7.364 1.00 0.00 O ATOM 769 CB ASP A 50 -5.132 -4.301 9.827 1.00 0.00 C ATOM 770 CG ASP A 50 -6.488 -4.752 10.366 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.540 -5.861 10.931 1.00 0.00 O ATOM 772 OD2 ASP A 50 -7.406 -3.895 10.358 1.00 0.00 O ATOM 0 H ASP A 50 -3.083 -3.640 8.951 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.337 -6.198 9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.454 -4.189 10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.258 -3.312 9.386 1.00 0.00 H new ATOM 777 N LEU A 51 -5.028 -4.621 6.445 1.00 0.00 N ATOM 778 CA LEU A 51 -5.667 -4.817 5.132 1.00 0.00 C ATOM 779 C LEU A 51 -5.021 -5.921 4.308 1.00 0.00 C ATOM 780 O LEU A 51 -5.581 -6.319 3.288 1.00 0.00 O ATOM 781 CB LEU A 51 -5.575 -3.503 4.347 1.00 0.00 C ATOM 782 CG LEU A 51 -6.837 -2.622 4.371 1.00 0.00 C ATOM 783 CD1 LEU A 51 -7.720 -2.728 5.618 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.346 -1.185 4.254 1.00 0.00 C ATOM 0 H LEU A 51 -4.407 -3.813 6.482 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.700 -5.114 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.741 -2.923 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.337 -3.737 3.309 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.476 -2.963 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.576 -2.061 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.071 -3.754 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.142 -2.445 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.199 -0.507 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.689 -0.956 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.798 -1.063 3.320 1.00 0.00 H new ATOM 796 N ILE A 52 -3.836 -6.368 4.703 1.00 0.00 N ATOM 797 CA ILE A 52 -3.082 -7.409 4.027 1.00 0.00 C ATOM 798 C ILE A 52 -3.318 -8.710 4.814 1.00 0.00 C ATOM 799 O ILE A 52 -3.546 -9.759 4.220 1.00 0.00 O ATOM 800 CB ILE A 52 -1.615 -6.960 3.932 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.463 -5.857 2.860 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.569 -8.070 3.733 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.182 -5.040 3.044 1.00 0.00 C ATOM 0 H ILE A 52 -3.361 -6.003 5.528 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.398 -7.592 3.000 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.386 -6.569 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.461 -6.313 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.325 -5.191 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.426 -7.627 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.613 -8.766 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.777 -8.604 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.121 -4.278 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.194 -4.560 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.683 -5.699 2.974 1.00 0.00 H new ATOM 815 N TYR A 53 -3.266 -8.640 6.152 1.00 0.00 N ATOM 816 CA TYR A 53 -3.388 -9.765 7.062 1.00 0.00 C ATOM 817 C TYR A 53 -4.836 -10.211 7.272 1.00 0.00 C ATOM 818 O TYR A 53 -5.108 -11.412 7.230 1.00 0.00 O ATOM 819 CB TYR A 53 -2.796 -9.360 8.422 1.00 0.00 C ATOM 820 CG TYR A 53 -1.286 -9.207 8.545 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.394 -9.849 7.660 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.771 -8.491 9.645 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.990 -9.817 7.899 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.614 -8.449 9.886 1.00 0.00 C ATOM 825 CZ TYR A 53 1.500 -9.131 9.022 1.00 0.00 C ATOM 826 OH TYR A 53 2.836 -9.159 9.274 1.00 0.00 O ATOM 0 H TYR A 53 -3.132 -7.755 6.641 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.852 -10.604 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.249 -8.412 8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.114 -10.101 9.155 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.777 -10.368 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.446 -7.970 10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.665 -10.319 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.000 -7.896 10.730 1.00 0.00 H new ATOM 0 HH TYR A 53 3.028 -8.638 10.082 1.00 0.00 H new ATOM 836 N TYR A 54 -5.748 -9.280 7.563 1.00 0.00 N ATOM 837 CA TYR A 54 -7.086 -9.565 8.073 1.00 0.00 C ATOM 838 C TYR A 54 -8.120 -8.795 7.232 1.00 0.00 C ATOM 839 O TYR A 54 -8.820 -7.924 7.747 1.00 0.00 O ATOM 840 CB TYR A 54 -7.122 -9.212 9.575 1.00 0.00 C ATOM 841 CG TYR A 54 -6.027 -9.839 10.435 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.700 -11.205 10.318 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.307 -9.035 11.341 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.637 -11.752 11.061 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.255 -9.574 12.101 1.00 0.00 C ATOM 846 CZ TYR A 54 -3.906 -10.933 11.952 1.00 0.00 C ATOM 847 OH TYR A 54 -2.857 -11.444 12.654 1.00 0.00 O ATOM 0 H TYR A 54 -5.569 -8.283 7.447 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.339 -10.622 7.984 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.060 -8.128 9.675 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.089 -9.514 9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.270 -11.837 9.653 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.567 -7.993 11.453 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.380 -12.795 10.951 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.715 -8.950 12.797 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.468 -10.743 13.217 1.00 0.00 H new ATOM 857 N PRO A 55 -8.197 -9.068 5.916 1.00 0.00 N ATOM 858 CA PRO A 55 -8.879 -8.195 4.978 1.00 0.00 C ATOM 859 C PRO A 55 -10.410 -8.178 5.116 1.00 0.00 C ATOM 860 O PRO A 55 -11.037 -9.037 5.735 1.00 0.00 O ATOM 861 CB PRO A 55 -8.434 -8.688 3.599 1.00 0.00 C ATOM 862 CG PRO A 55 -8.121 -10.154 3.803 1.00 0.00 C ATOM 863 CD PRO A 55 -7.506 -10.132 5.198 1.00 0.00 C ATOM 0 HA PRO A 55 -8.611 -7.155 5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.219 -8.550 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.560 -8.141 3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.015 -10.776 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.428 -10.535 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.637 -11.091 5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.434 -9.940 5.151 1.00 0.00 H new ATOM 871 N GLU A 56 -10.984 -7.160 4.471 1.00 0.00 N ATOM 872 CA GLU A 56 -12.403 -6.918 4.241 1.00 0.00 C ATOM 873 C GLU A 56 -13.018 -7.959 3.300 1.00 0.00 C ATOM 874 O GLU A 56 -12.417 -8.956 2.918 1.00 0.00 O ATOM 875 CB GLU A 56 -12.562 -5.507 3.629 1.00 0.00 C ATOM 876 CG GLU A 56 -13.473 -4.537 4.390 1.00 0.00 C ATOM 877 CD GLU A 56 -14.959 -4.787 4.111 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.272 -5.043 2.924 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.760 -4.793 5.067 1.00 0.00 O ATOM 0 H GLU A 56 -10.413 -6.420 4.061 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.927 -6.993 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.573 -5.056 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.948 -5.615 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.286 -4.632 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.222 -3.513 4.112 1.00 0.00 H new ATOM 886 N GLY A 57 -14.229 -7.637 2.867 1.00 0.00 N ATOM 887 CA GLY A 57 -15.050 -8.401 1.930 1.00 0.00 C ATOM 888 C GLY A 57 -15.123 -7.768 0.549 1.00 0.00 C ATOM 889 O GLY A 57 -15.297 -8.448 -0.456 1.00 0.00 O ATOM 0 H GLY A 57 -14.695 -6.785 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.646 -9.409 1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.058 -8.496 2.333 1.00 0.00 H new ATOM 893 N ASN A 58 -14.925 -6.458 0.499 1.00 0.00 N ATOM 894 CA ASN A 58 -14.515 -5.733 -0.702 1.00 0.00 C ATOM 895 C ASN A 58 -13.108 -6.182 -1.122 1.00 0.00 C ATOM 896 O ASN A 58 -12.709 -6.050 -2.279 1.00 0.00 O ATOM 897 CB ASN A 58 -14.493 -4.233 -0.377 1.00 0.00 C ATOM 898 CG ASN A 58 -14.025 -3.373 -1.530 1.00 0.00 C ATOM 899 OD1 ASN A 58 -14.543 -3.432 -2.638 1.00 0.00 O ATOM 900 ND2 ASN A 58 -13.110 -2.465 -1.260 1.00 0.00 N ATOM 0 H ASN A 58 -15.047 -5.853 1.311 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.211 -5.935 -1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.494 -3.918 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.841 -4.064 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.825 -1.799 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.687 -2.427 -0.333 1.00 0.00 H new ATOM 907 N ASN A 59 -12.329 -6.694 -0.166 1.00 0.00 N ATOM 908 CA ASN A 59 -10.907 -6.952 -0.283 1.00 0.00 C ATOM 909 C ASN A 59 -10.683 -8.442 -0.422 1.00 0.00 C ATOM 910 O ASN A 59 -10.134 -9.123 0.435 1.00 0.00 O ATOM 911 CB ASN A 59 -10.235 -6.284 0.918 1.00 0.00 C ATOM 912 CG ASN A 59 -8.716 -6.276 0.900 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.068 -6.355 -0.137 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.152 -6.081 2.082 1.00 0.00 N ATOM 0 H ASN A 59 -12.698 -6.949 0.750 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.453 -6.525 -1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.585 -5.254 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.567 -6.789 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.139 -5.990 2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.731 -6.022 2.920 1.00 0.00 H new ATOM 921 N ASP A 60 -11.176 -8.890 -1.567 1.00 0.00 N ATOM 922 CA ASP A 60 -11.361 -10.272 -2.004 1.00 0.00 C ATOM 923 C ASP A 60 -10.809 -10.379 -3.417 1.00 0.00 C ATOM 924 O ASP A 60 -10.071 -11.307 -3.741 1.00 0.00 O ATOM 925 CB ASP A 60 -12.866 -10.614 -1.986 1.00 0.00 C ATOM 926 CG ASP A 60 -13.261 -11.730 -2.971 1.00 0.00 C ATOM 927 OD1 ASP A 60 -13.571 -11.381 -4.136 1.00 0.00 O ATOM 928 OD2 ASP A 60 -13.307 -12.907 -2.547 1.00 0.00 O ATOM 0 H ASP A 60 -11.487 -8.235 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.843 -10.969 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.149 -10.916 -0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.436 -9.715 -2.222 1.00 0.00 H new ATOM 933 N GLY A 61 -11.109 -9.368 -4.243 1.00 0.00 N ATOM 934 CA GLY A 61 -10.954 -9.512 -5.682 1.00 0.00 C ATOM 935 C GLY A 61 -9.482 -9.645 -6.064 1.00 0.00 C ATOM 936 O GLY A 61 -9.118 -10.353 -7.007 1.00 0.00 O ATOM 0 H GLY A 61 -11.455 -8.458 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.503 -10.389 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.387 -8.648 -6.186 1.00 0.00 H new ATOM 940 N SER A 62 -8.622 -8.897 -5.373 1.00 0.00 N ATOM 941 CA SER A 62 -7.203 -8.841 -5.471 1.00 0.00 C ATOM 942 C SER A 62 -6.741 -7.835 -4.401 1.00 0.00 C ATOM 943 O SER A 62 -7.546 -6.983 -4.012 1.00 0.00 O ATOM 944 CB SER A 62 -6.956 -8.251 -6.844 1.00 0.00 C ATOM 945 OG SER A 62 -6.642 -9.261 -7.773 1.00 0.00 O ATOM 0 H SER A 62 -8.963 -8.253 -4.659 1.00 0.00 H new ATOM 0 HA SER A 62 -6.695 -9.796 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.841 -7.708 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.140 -7.530 -6.794 1.00 0.00 H new ATOM 0 HG SER A 62 -7.358 -9.930 -7.783 1.00 0.00 H new ATOM 951 N PRO A 63 -5.440 -7.758 -4.064 1.00 0.00 N ATOM 952 CA PRO A 63 -4.877 -6.683 -3.234 1.00 0.00 C ATOM 953 C PRO A 63 -4.948 -5.292 -3.909 1.00 0.00 C ATOM 954 O PRO A 63 -4.590 -4.269 -3.328 1.00 0.00 O ATOM 955 CB PRO A 63 -3.440 -7.127 -2.950 1.00 0.00 C ATOM 956 CG PRO A 63 -3.077 -7.953 -4.183 1.00 0.00 C ATOM 957 CD PRO A 63 -4.389 -8.663 -4.507 1.00 0.00 C ATOM 0 HA PRO A 63 -5.451 -6.545 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.773 -6.274 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.375 -7.718 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.742 -7.324 -5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.274 -8.660 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.471 -8.868 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.454 -9.622 -3.993 1.00 0.00 H new ATOM 965 N GLU A 64 -5.483 -5.231 -5.127 1.00 0.00 N ATOM 966 CA GLU A 64 -6.027 -4.062 -5.787 1.00 0.00 C ATOM 967 C GLU A 64 -6.989 -3.349 -4.857 1.00 0.00 C ATOM 968 O GLU A 64 -6.927 -2.130 -4.737 1.00 0.00 O ATOM 969 CB GLU A 64 -6.799 -4.544 -7.023 1.00 0.00 C ATOM 970 CG GLU A 64 -5.861 -4.872 -8.188 1.00 0.00 C ATOM 971 CD GLU A 64 -5.365 -3.611 -8.906 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.735 -2.482 -8.504 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.538 -3.707 -9.834 1.00 0.00 O ATOM 0 H GLU A 64 -5.549 -6.062 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.226 -3.377 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.382 -5.429 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.507 -3.775 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.006 -5.436 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.380 -5.513 -8.900 1.00 0.00 H new ATOM 980 N ALA A 65 -7.858 -4.111 -4.193 1.00 0.00 N ATOM 981 CA ALA A 65 -8.822 -3.596 -3.248 1.00 0.00 C ATOM 982 C ALA A 65 -8.124 -2.850 -2.109 1.00 0.00 C ATOM 983 O ALA A 65 -8.676 -1.851 -1.661 1.00 0.00 O ATOM 984 CB ALA A 65 -9.685 -4.750 -2.741 1.00 0.00 C ATOM 0 H ALA A 65 -7.904 -5.124 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.471 -2.871 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.416 -4.371 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.204 -5.212 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.052 -5.491 -2.253 1.00 0.00 H new ATOM 990 N VAL A 66 -6.904 -3.240 -1.707 1.00 0.00 N ATOM 991 CA VAL A 66 -6.148 -2.452 -0.724 1.00 0.00 C ATOM 992 C VAL A 66 -5.764 -1.111 -1.356 1.00 0.00 C ATOM 993 O VAL A 66 -5.987 -0.070 -0.758 1.00 0.00 O ATOM 994 CB VAL A 66 -4.884 -3.197 -0.222 1.00 0.00 C ATOM 995 CG1 VAL A 66 -4.139 -2.384 0.831 1.00 0.00 C ATOM 996 CG2 VAL A 66 -5.122 -4.611 0.353 1.00 0.00 C ATOM 0 H VAL A 66 -6.429 -4.079 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.782 -2.290 0.148 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.294 -3.318 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.259 -2.936 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.830 -1.430 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.795 -2.204 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.172 -5.038 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.797 -4.548 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.565 -5.246 -0.414 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.184 -1.088 -2.559 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.709 0.156 -3.198 1.00 0.00 C ATOM 1008 C ILE A 67 -5.821 1.159 -3.336 1.00 0.00 C ATOM 1009 O ILE A 67 -5.661 2.363 -3.137 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.070 -0.185 -4.573 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.558 -0.249 -4.398 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.342 0.810 -5.703 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.251 -1.222 -3.271 1.00 0.00 C ATOM 0 H ILE A 67 -5.028 -1.925 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.951 0.616 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.530 -1.128 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.082 -0.576 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.160 0.739 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.848 0.471 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.416 0.878 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.956 1.791 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.172 -1.284 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.720 -0.873 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.640 -2.208 -3.525 1.00 0.00 H new ATOM 1025 N LYS A 68 -6.938 0.608 -3.738 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.196 1.272 -3.859 1.00 0.00 C ATOM 1027 C LYS A 68 -8.546 1.817 -2.515 1.00 0.00 C ATOM 1028 O LYS A 68 -8.469 3.029 -2.442 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.164 0.324 -4.561 1.00 0.00 C ATOM 1030 CG LYS A 68 -8.589 0.226 -5.996 1.00 0.00 C ATOM 1031 CD LYS A 68 -9.350 -0.597 -7.033 1.00 0.00 C ATOM 1032 CE LYS A 68 -8.804 -0.376 -8.463 1.00 0.00 C ATOM 1033 NZ LYS A 68 -7.321 -0.345 -8.576 1.00 0.00 N ATOM 0 H LYS A 68 -6.988 -0.375 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.211 2.153 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.197 -0.650 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.181 0.715 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.492 1.240 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.582 -0.184 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.281 -1.655 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.406 -0.330 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.185 -1.169 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.201 0.564 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.050 -0.329 -9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.955 0.507 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.921 -1.191 -8.123 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.738 1.036 -1.463 1.00 0.00 N ATOM 1048 CA GLU A 69 -9.061 1.584 -0.164 1.00 0.00 C ATOM 1049 C GLU A 69 -8.033 2.585 0.331 1.00 0.00 C ATOM 1050 O GLU A 69 -8.363 3.469 1.095 1.00 0.00 O ATOM 1051 CB GLU A 69 -9.110 0.460 0.860 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.412 0.412 1.682 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.939 1.764 2.221 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.553 2.508 1.419 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.790 2.037 3.432 1.00 0.00 O ATOM 0 H GLU A 69 -8.674 0.018 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.020 2.090 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.984 -0.492 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.267 0.568 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.190 -0.035 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.256 -0.256 2.529 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.776 2.501 -0.080 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.779 3.418 0.361 1.00 0.00 C ATOM 1064 C ILE A 70 -6.145 4.749 -0.274 1.00 0.00 C ATOM 1065 O ILE A 70 -6.333 5.753 0.413 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.397 2.936 0.003 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.932 1.783 0.905 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.455 4.122 0.131 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.786 1.111 1.983 1.00 0.00 C ATOM 0 H ILE A 70 -6.436 1.790 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.753 3.517 1.446 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.403 2.545 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.617 0.985 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.037 2.143 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.441 3.810 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.771 4.913 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.476 4.494 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.207 0.326 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.086 1.852 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.674 0.676 1.525 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.184 4.774 -1.609 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.561 5.993 -2.306 1.00 0.00 C ATOM 1083 C LYS A 71 -7.955 6.456 -1.891 1.00 0.00 C ATOM 1084 O LYS A 71 -8.129 7.670 -1.778 1.00 0.00 O ATOM 1085 CB LYS A 71 -6.280 5.866 -3.798 1.00 0.00 C ATOM 1086 CG LYS A 71 -7.483 5.520 -4.653 1.00 0.00 C ATOM 1087 CD LYS A 71 -7.071 4.650 -5.850 1.00 0.00 C ATOM 1088 CE LYS A 71 -8.146 4.508 -6.934 1.00 0.00 C ATOM 1089 NZ LYS A 71 -9.505 4.294 -6.393 1.00 0.00 N ATOM 0 H LYS A 71 -5.964 3.981 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.929 6.826 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.860 6.807 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.518 5.101 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.222 4.991 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.957 6.435 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.174 5.075 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.806 3.657 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.147 5.405 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.887 3.673 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.164 4.105 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.496 3.482 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.812 5.144 -5.879 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.900 5.556 -1.609 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.243 5.910 -1.285 1.00 0.00 C ATOM 1105 C GLU A 72 -10.306 6.481 0.135 1.00 0.00 C ATOM 1106 O GLU A 72 -10.781 7.599 0.301 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.059 4.640 -1.478 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.062 4.712 -2.627 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.338 4.609 -3.979 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -10.921 5.649 -4.547 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.141 3.486 -4.504 1.00 0.00 O ATOM 0 H GLU A 72 -8.729 4.550 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.647 6.698 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.379 3.807 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.596 4.422 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.789 3.905 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.617 5.649 -2.575 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.755 5.797 1.141 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.590 6.256 2.514 1.00 0.00 C ATOM 1120 C TRP A 73 -8.935 7.613 2.557 1.00 0.00 C ATOM 1121 O TRP A 73 -9.464 8.523 3.199 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.796 5.253 3.330 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.726 5.590 4.777 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.640 5.213 5.691 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.699 6.320 5.496 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.270 5.689 6.933 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.087 6.397 6.864 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.458 6.879 5.132 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.292 7.044 7.817 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.623 7.478 6.091 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.058 7.589 7.413 1.00 0.00 C ATOM 0 H TRP A 73 -9.392 4.853 1.006 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.582 6.345 2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.245 4.266 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.784 5.191 2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.525 4.629 5.485 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.802 5.537 7.790 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.143 6.847 4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.619 7.124 8.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.650 7.850 5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.439 8.100 8.136 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.775 7.771 1.910 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.074 9.037 1.923 1.00 0.00 C ATOM 1144 C ARG A 74 -7.955 10.108 1.272 1.00 0.00 C ATOM 1145 O ARG A 74 -8.060 11.182 1.861 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.705 8.880 1.254 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.782 7.819 1.899 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.014 8.211 3.174 1.00 0.00 C ATOM 1149 NE ARG A 74 -2.931 9.217 3.085 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.312 9.855 2.087 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -2.655 9.646 0.829 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.360 10.733 2.360 1.00 0.00 N ATOM 0 H ARG A 74 -7.312 7.035 1.376 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.880 9.363 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.857 8.620 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.195 9.843 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.389 6.944 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.052 7.511 1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.743 8.577 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.583 7.301 3.590 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.573 9.487 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.403 8.989 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.172 10.142 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.102 10.920 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.885 11.222 1.602 1.00 0.00 H new ATOM 1166 N ALA A 75 -8.609 9.842 0.135 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.465 10.800 -0.538 1.00 0.00 C ATOM 1168 C ALA A 75 -10.698 11.172 0.286 1.00 0.00 C ATOM 1169 O ALA A 75 -11.042 12.349 0.355 1.00 0.00 O ATOM 1170 CB ALA A 75 -9.877 10.283 -1.920 1.00 0.00 C ATOM 0 H ALA A 75 -8.552 8.942 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.879 11.711 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.519 11.017 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.987 10.119 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.419 9.344 -1.810 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.354 10.201 0.923 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.503 10.400 1.798 1.00 0.00 C ATOM 1178 C ALA A 76 -12.092 11.226 3.015 1.00 0.00 C ATOM 1179 O ALA A 76 -12.810 12.137 3.418 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.069 9.040 2.224 1.00 0.00 C ATOM 0 H ALA A 76 -11.088 9.220 0.839 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.280 10.945 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.928 9.192 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.380 8.482 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.302 8.478 2.757 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.907 10.951 3.569 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.262 11.799 4.558 1.00 0.00 C ATOM 1188 C ASN A 77 -9.901 13.208 4.031 1.00 0.00 C ATOM 1189 O ASN A 77 -9.459 14.039 4.823 1.00 0.00 O ATOM 1190 CB ASN A 77 -8.974 11.101 4.996 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.063 10.173 6.190 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -8.407 10.423 7.196 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.744 9.051 6.059 1.00 0.00 N ATOM 0 H ASN A 77 -10.366 10.118 3.335 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.967 11.943 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.595 10.528 4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.232 11.868 5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.736 8.359 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.279 8.875 5.209 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.020 13.492 2.729 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.773 14.798 2.116 1.00 0.00 C ATOM 1202 C GLY A 78 -8.378 14.968 1.501 1.00 0.00 C ATOM 1203 O GLY A 78 -8.019 16.076 1.105 1.00 0.00 O ATOM 0 H GLY A 78 -10.303 12.788 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.520 14.966 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.918 15.571 2.871 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.558 13.917 1.450 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.134 13.944 1.182 1.00 0.00 C ATOM 1209 C LYS A 79 -5.862 13.382 -0.212 1.00 0.00 C ATOM 1210 O LYS A 79 -6.637 12.576 -0.722 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.468 13.082 2.267 1.00 0.00 C ATOM 1212 CG LYS A 79 -5.959 13.431 3.686 1.00 0.00 C ATOM 1213 CD LYS A 79 -5.281 12.655 4.819 1.00 0.00 C ATOM 1214 CE LYS A 79 -5.692 11.180 4.737 1.00 0.00 C ATOM 1215 NZ LYS A 79 -5.738 10.525 6.063 1.00 0.00 N ATOM 0 H LYS A 79 -7.900 12.969 1.606 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.736 14.959 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.670 12.030 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.387 13.214 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.806 14.497 3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.033 13.252 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.198 12.748 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.569 13.072 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.672 11.106 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.989 10.646 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.102 9.556 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.781 10.494 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.364 11.064 6.695 1.00 0.00 H new ATOM 1229 N SER A 80 -4.743 13.752 -0.829 1.00 0.00 N ATOM 1230 CA SER A 80 -4.371 13.227 -2.135 1.00 0.00 C ATOM 1231 C SER A 80 -4.090 11.725 -2.033 1.00 0.00 C ATOM 1232 O SER A 80 -3.293 11.307 -1.192 1.00 0.00 O ATOM 1233 CB SER A 80 -3.161 14.013 -2.662 1.00 0.00 C ATOM 1234 OG SER A 80 -2.192 14.245 -1.652 1.00 0.00 O ATOM 0 H SER A 80 -4.076 14.418 -0.440 1.00 0.00 H new ATOM 0 HA SER A 80 -5.189 13.351 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.702 13.463 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.498 14.968 -3.066 1.00 0.00 H new ATOM 0 HG SER A 80 -1.475 13.582 -1.728 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.686 10.917 -2.915 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.232 9.575 -3.228 1.00 0.00 C ATOM 1242 C GLY A 81 -2.887 9.646 -3.933 1.00 0.00 C ATOM 1243 O GLY A 81 -2.145 10.635 -3.835 1.00 0.00 O ATOM 0 H GLY A 81 -5.517 11.192 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.145 8.987 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.961 9.072 -3.863 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.548 8.561 -4.614 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.415 8.526 -5.486 1.00 0.00 C ATOM 1249 C PHE A 82 -1.609 9.418 -6.698 1.00 0.00 C ATOM 1250 O PHE A 82 -2.585 10.153 -6.844 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.026 7.092 -5.859 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.660 5.957 -5.074 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.864 5.380 -5.511 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.023 5.439 -3.934 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.409 4.296 -4.805 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.582 4.366 -3.230 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.786 3.795 -3.649 1.00 0.00 C ATOM 0 H PHE A 82 -3.064 7.682 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.568 8.937 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.264 6.944 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.056 7.003 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.367 5.768 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.093 5.873 -3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.323 3.839 -5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.079 3.977 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.231 2.982 -3.094 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.603 9.342 -7.556 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.499 10.017 -8.814 1.00 0.00 C ATOM 1269 C LYS A 83 -1.797 9.960 -9.612 1.00 0.00 C ATOM 1270 O LYS A 83 -2.410 8.906 -9.768 1.00 0.00 O ATOM 1271 CB LYS A 83 0.608 9.313 -9.581 1.00 0.00 C ATOM 1272 CG LYS A 83 1.303 10.229 -10.615 1.00 0.00 C ATOM 1273 CD LYS A 83 2.046 11.439 -10.014 1.00 0.00 C ATOM 1274 CE LYS A 83 3.213 11.030 -9.101 1.00 0.00 C ATOM 1275 NZ LYS A 83 3.653 12.138 -8.224 1.00 0.00 N ATOM 0 H LYS A 83 0.214 8.762 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.287 11.074 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.351 8.941 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.192 8.445 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.013 9.633 -11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.554 10.594 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.425 12.064 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.342 12.046 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.911 10.181 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.052 10.699 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.675 12.058 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.451 13.048 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.143 12.088 -7.319 1.00 0.00 H new ATOM 1289 N GLN A 84 -2.134 11.108 -10.168 1.00 0.00 N ATOM 1290 CA GLN A 84 -2.975 11.391 -11.249 1.00 0.00 C ATOM 1291 C GLN A 84 -1.992 11.280 -12.403 1.00 0.00 C ATOM 1292 O GLN A 84 -1.122 12.135 -12.573 1.00 0.00 O ATOM 1293 CB GLN A 84 -3.417 12.833 -11.011 1.00 0.00 C ATOM 1294 CG GLN A 84 -4.242 13.325 -12.179 1.00 0.00 C ATOM 1295 CD GLN A 84 -3.492 14.273 -13.120 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -3.207 13.855 -14.340 1.00 0.00 O flip ATOM 1297 NE2 GLN A 84 -3.192 15.406 -12.753 1.00 0.00 N flip ATOM 0 H GLN A 84 -1.749 11.974 -9.791 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.860 10.774 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.000 12.896 -10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.544 13.472 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.592 12.465 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.126 13.835 -11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.420 15.713 -11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.715 16.040 -13.394 1.00 0.00 H new ATOM 1306 N GLY A 85 -2.021 10.121 -13.030 1.00 0.00 N ATOM 1307 CA GLY A 85 -1.526 9.960 -14.389 1.00 0.00 C ATOM 1308 C GLY A 85 -2.338 10.870 -15.304 1.00 0.00 C ATOM 1309 O GLY A 85 -1.772 11.320 -16.316 1.00 0.00 O ATOM 0 H GLY A 85 -2.387 9.264 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.468 10.216 -14.441 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.619 8.921 -14.707 1.00 0.00 H new TER 1313 GLY A 85