USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 683 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 38 HIS : no HE2:sc= -5.13! C(o=-6.2!,f=-11!) USER MOD Set 1.2: A 39 ASN : amide:sc= -1.05 K(o=-6.2,f=-10!) USER MOD Set 2.1: A 28 SER OG : rot -180:sc= 0.217 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.143 K(o=0.36,f=-0.37) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.967 X(o=-0.98,f=-0.59) USER MOD Set 3.2: A 26 SER OG : rot 180:sc= -0.012 USER MOD Set 4.1: A 2 HIS : no HD1:sc= 1.05 K(o=2.4,f=-5.7!) USER MOD Set 4.2: A 3 SER OG : rot 79:sc= 1.33 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0063 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -1.92 (180deg=-1.99!) USER MOD Single : A 5 MET CE :methyl 172:sc= -0.0166 (180deg=-0.154) USER MOD Single : A 6 SER OG : rot 180:sc= 0.125 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.4 USER MOD Single : A 11 THR OG1 : rot 97:sc= 0.46 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 34 CYS SG : rot -150:sc= -0.74 USER MOD Single : A 36 GLN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 54 MET CE :methyl -159:sc= -0.35 (180deg=-2.2) USER MOD Single : A 56 SER OG : rot 136:sc= 1.27 USER MOD Single : A 59 SER OG : rot -75:sc= 1.26 USER MOD Single : A 63 SER OG : rot 180:sc= -0.159 USER MOD Single : A 64 MET CE :methyl 160:sc= 0 (180deg=-0.186) USER MOD Single : A 71 ASN : amide:sc= 0.0235 K(o=0.024,f=-9.2!) USER MOD Single : A 74 CYS SG : rot 170:sc= -0.773 USER MOD Single : A 77 MET CE :methyl -164:sc=-0.00447 (180deg=-0.206) USER MOD Single : A 80 ASN : amide:sc= 0.279 X(o=0.28,f=-0.014) USER MOD Single : A 83 THR OG1 : rot -31:sc= 0.777 USER MOD Single : A 85 GLN : amide:sc= 0.725 K(o=0.72,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.194 -3.478 9.695 1.00 0.00 N ATOM 2 CA GLY A 1 -17.258 -4.604 9.713 1.00 0.00 C ATOM 3 C GLY A 1 -17.407 -5.428 8.454 1.00 0.00 C ATOM 4 O GLY A 1 -18.536 -5.786 8.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.620 -3.366 10.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.685 -2.608 9.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.942 -3.660 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.236 -4.235 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.444 -5.227 10.588 1.00 0.00 H new ATOM 8 N HIS A 2 -16.275 -5.729 7.800 1.00 0.00 N ATOM 9 CA HIS A 2 -16.142 -6.375 6.489 1.00 0.00 C ATOM 10 C HIS A 2 -16.512 -5.378 5.395 1.00 0.00 C ATOM 11 O HIS A 2 -17.465 -4.618 5.548 1.00 0.00 O ATOM 12 CB HIS A 2 -17.002 -7.650 6.373 1.00 0.00 C ATOM 13 CG HIS A 2 -16.530 -8.652 5.342 1.00 0.00 C ATOM 14 ND1 HIS A 2 -16.365 -8.447 3.981 1.00 0.00 N ATOM 15 CD2 HIS A 2 -16.209 -9.954 5.611 1.00 0.00 C ATOM 16 CE1 HIS A 2 -15.897 -9.590 3.453 1.00 0.00 C ATOM 17 NE2 HIS A 2 -15.810 -10.527 4.417 1.00 0.00 N ATOM 0 H HIS A 2 -15.364 -5.511 8.204 1.00 0.00 H new ATOM 0 HA HIS A 2 -15.104 -6.686 6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -17.031 -8.140 7.346 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.025 -7.359 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -16.258 -10.442 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -15.632 -9.735 2.416 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.503 -11.491 4.289 1.00 0.00 H new ATOM 26 N SER A 3 -15.792 -5.425 4.278 1.00 0.00 N ATOM 27 CA SER A 3 -16.010 -4.624 3.085 1.00 0.00 C ATOM 28 C SER A 3 -16.325 -3.160 3.408 1.00 0.00 C ATOM 29 O SER A 3 -17.303 -2.623 2.898 1.00 0.00 O ATOM 30 CB SER A 3 -17.107 -5.275 2.234 1.00 0.00 C ATOM 31 OG SER A 3 -16.758 -6.606 1.900 1.00 0.00 O ATOM 0 H SER A 3 -14.999 -6.058 4.179 1.00 0.00 H new ATOM 0 HA SER A 3 -15.083 -4.600 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.050 -5.267 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.261 -4.695 1.324 1.00 0.00 H new ATOM 0 HG SER A 3 -16.930 -7.191 2.667 1.00 0.00 H new ATOM 37 N LYS A 4 -15.488 -2.475 4.205 1.00 0.00 N ATOM 38 CA LYS A 4 -15.733 -1.051 4.482 1.00 0.00 C ATOM 39 C LYS A 4 -15.700 -0.182 3.226 1.00 0.00 C ATOM 40 O LYS A 4 -16.000 1.001 3.318 1.00 0.00 O ATOM 41 CB LYS A 4 -14.797 -0.481 5.561 1.00 0.00 C ATOM 42 CG LYS A 4 -13.345 -0.262 5.138 1.00 0.00 C ATOM 43 CD LYS A 4 -12.802 1.166 5.352 1.00 0.00 C ATOM 44 CE LYS A 4 -13.130 2.176 4.242 1.00 0.00 C ATOM 45 NZ LYS A 4 -14.423 2.866 4.485 1.00 0.00 N ATOM 0 H LYS A 4 -14.662 -2.868 4.656 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.749 -1.015 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.204 0.472 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.808 -1.156 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.714 -0.959 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.250 -0.514 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.197 1.548 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.719 1.111 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.331 2.915 4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.168 1.661 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.750 3.311 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.130 2.175 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.295 3.596 5.215 1.00 0.00 H new ATOM 59 N MET A 5 -15.272 -0.715 2.085 1.00 0.00 N ATOM 60 CA MET A 5 -15.307 -0.036 0.812 1.00 0.00 C ATOM 61 C MET A 5 -15.914 -1.016 -0.190 1.00 0.00 C ATOM 62 O MET A 5 -15.227 -1.539 -1.070 1.00 0.00 O ATOM 63 CB MET A 5 -13.902 0.489 0.505 1.00 0.00 C ATOM 64 CG MET A 5 -13.965 1.653 -0.475 1.00 0.00 C ATOM 65 SD MET A 5 -12.443 2.614 -0.547 1.00 0.00 S ATOM 66 CE MET A 5 -13.063 4.052 -1.444 1.00 0.00 C ATOM 0 H MET A 5 -14.883 -1.656 2.029 1.00 0.00 H new ATOM 0 HA MET A 5 -15.937 0.853 0.782 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.418 0.810 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.292 -0.312 0.087 1.00 0.00 H new ATOM 0 HG2 MET A 5 -14.190 1.268 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.788 2.310 -0.194 1.00 0.00 H new ATOM 0 HE1 MET A 5 -12.297 4.827 -1.463 1.00 0.00 H new ATOM 0 HE2 MET A 5 -13.313 3.764 -2.465 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.954 4.435 -0.947 1.00 0.00 H new ATOM 76 N SER A 6 -17.189 -1.328 0.029 1.00 0.00 N ATOM 77 CA SER A 6 -18.023 -2.252 -0.721 1.00 0.00 C ATOM 78 C SER A 6 -18.382 -1.647 -2.086 1.00 0.00 C ATOM 79 O SER A 6 -19.475 -1.118 -2.274 1.00 0.00 O ATOM 80 CB SER A 6 -19.228 -2.628 0.148 1.00 0.00 C ATOM 81 OG SER A 6 -19.691 -1.547 0.948 1.00 0.00 O ATOM 0 H SER A 6 -17.704 -0.904 0.800 1.00 0.00 H new ATOM 0 HA SER A 6 -17.496 -3.178 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.039 -2.972 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.957 -3.462 0.795 1.00 0.00 H new ATOM 0 HG SER A 6 -20.460 -1.840 1.480 1.00 0.00 H new ATOM 87 N ASP A 7 -17.437 -1.742 -3.019 1.00 0.00 N ATOM 88 CA ASP A 7 -17.434 -1.186 -4.375 1.00 0.00 C ATOM 89 C ASP A 7 -17.879 0.278 -4.477 1.00 0.00 C ATOM 90 O ASP A 7 -19.055 0.640 -4.411 1.00 0.00 O ATOM 91 CB ASP A 7 -18.035 -2.097 -5.416 1.00 0.00 C ATOM 92 CG ASP A 7 -16.993 -2.928 -6.163 1.00 0.00 C ATOM 93 OD1 ASP A 7 -16.325 -3.767 -5.531 1.00 0.00 O ATOM 94 OD2 ASP A 7 -16.803 -2.669 -7.375 1.00 0.00 O ATOM 0 H ASP A 7 -16.576 -2.255 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 7 -16.376 -1.142 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.748 -2.767 -4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -18.595 -1.498 -6.134 1.00 0.00 H new ATOM 99 N VAL A 8 -16.890 1.146 -4.666 1.00 0.00 N ATOM 100 CA VAL A 8 -16.891 2.585 -4.372 1.00 0.00 C ATOM 101 C VAL A 8 -16.034 3.308 -5.417 1.00 0.00 C ATOM 102 O VAL A 8 -15.822 4.516 -5.337 1.00 0.00 O ATOM 103 CB VAL A 8 -16.357 2.811 -2.931 1.00 0.00 C ATOM 104 CG1 VAL A 8 -16.626 4.213 -2.360 1.00 0.00 C ATOM 105 CG2 VAL A 8 -16.974 1.802 -1.948 1.00 0.00 C ATOM 0 H VAL A 8 -15.998 0.845 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.901 2.990 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.279 2.682 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.219 4.279 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.150 4.961 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.701 4.394 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.583 1.983 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.058 1.918 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.720 0.789 -2.259 1.00 0.00 H new ATOM 115 N LYS A 9 -15.576 2.536 -6.409 1.00 0.00 N ATOM 116 CA LYS A 9 -14.649 2.862 -7.481 1.00 0.00 C ATOM 117 C LYS A 9 -13.248 3.016 -6.900 1.00 0.00 C ATOM 118 O LYS A 9 -13.093 3.276 -5.706 1.00 0.00 O ATOM 119 CB LYS A 9 -15.106 4.104 -8.252 1.00 0.00 C ATOM 120 CG LYS A 9 -16.551 3.933 -8.753 1.00 0.00 C ATOM 121 CD LYS A 9 -16.591 3.466 -10.215 1.00 0.00 C ATOM 122 CE LYS A 9 -17.929 2.800 -10.519 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.037 3.759 -10.733 1.00 0.00 N ATOM 0 H LYS A 9 -15.883 1.566 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.629 2.050 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.040 4.982 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.441 4.278 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.071 3.210 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.084 4.879 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.440 4.316 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.777 2.766 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.822 2.178 -11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.189 2.136 -9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.914 3.237 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.166 4.336 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.810 4.378 -11.537 1.00 0.00 H new ATOM 137 N CYS A 10 -12.235 2.817 -7.741 1.00 0.00 N ATOM 138 CA CYS A 10 -10.794 2.773 -7.488 1.00 0.00 C ATOM 139 C CYS A 10 -10.267 1.898 -6.339 1.00 0.00 C ATOM 140 O CYS A 10 -9.079 1.578 -6.379 1.00 0.00 O ATOM 141 CB CYS A 10 -10.135 4.172 -7.479 1.00 0.00 C ATOM 142 SG CYS A 10 -11.291 5.566 -7.365 1.00 0.00 S ATOM 0 H CYS A 10 -12.426 2.665 -8.731 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.467 2.219 -8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.442 4.225 -6.639 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.543 4.284 -8.388 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.625 6.683 -7.364 1.00 0.00 H new ATOM 148 N THR A 11 -11.091 1.475 -5.376 1.00 0.00 N ATOM 149 CA THR A 11 -10.718 0.880 -4.098 1.00 0.00 C ATOM 150 C THR A 11 -9.573 -0.133 -4.252 1.00 0.00 C ATOM 151 O THR A 11 -8.431 0.163 -3.873 1.00 0.00 O ATOM 152 CB THR A 11 -11.986 0.391 -3.359 1.00 0.00 C ATOM 153 OG1 THR A 11 -11.679 -0.232 -2.128 1.00 0.00 O ATOM 154 CG2 THR A 11 -12.897 -0.566 -4.144 1.00 0.00 C ATOM 0 H THR A 11 -12.103 1.546 -5.480 1.00 0.00 H new ATOM 0 HA THR A 11 -10.281 1.630 -3.438 1.00 0.00 H new ATOM 0 HB THR A 11 -12.538 1.320 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.784 0.415 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.753 -0.842 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.247 -0.073 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.338 -1.463 -4.411 1.00 0.00 H new ATOM 162 N SER A 12 -9.818 -1.281 -4.887 1.00 0.00 N ATOM 163 CA SER A 12 -8.787 -2.291 -5.049 1.00 0.00 C ATOM 164 C SER A 12 -8.132 -2.206 -6.435 1.00 0.00 C ATOM 165 O SER A 12 -7.647 -3.212 -6.943 1.00 0.00 O ATOM 166 CB SER A 12 -9.429 -3.658 -4.758 1.00 0.00 C ATOM 167 OG SER A 12 -10.743 -3.793 -5.283 1.00 0.00 O ATOM 0 H SER A 12 -10.720 -1.528 -5.294 1.00 0.00 H new ATOM 0 HA SER A 12 -7.969 -2.130 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.798 -4.443 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.460 -3.813 -3.680 1.00 0.00 H new ATOM 0 HG SER A 12 -11.092 -4.682 -5.065 1.00 0.00 H new ATOM 173 N VAL A 13 -7.953 -0.992 -6.972 1.00 0.00 N ATOM 174 CA VAL A 13 -7.273 -0.754 -8.247 1.00 0.00 C ATOM 175 C VAL A 13 -6.066 0.164 -8.053 1.00 0.00 C ATOM 176 O VAL A 13 -5.013 -0.113 -8.612 1.00 0.00 O ATOM 177 CB VAL A 13 -8.243 -0.346 -9.393 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.696 -0.809 -9.166 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.236 1.151 -9.739 1.00 0.00 C ATOM 0 H VAL A 13 -8.282 -0.137 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.869 -1.703 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.834 -0.882 -10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.315 -0.489 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.724 -1.896 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.078 -0.369 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.942 1.341 -10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.526 1.729 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.235 1.447 -10.054 1.00 0.00 H new ATOM 189 N VAL A 14 -6.177 1.217 -7.227 1.00 0.00 N ATOM 190 CA VAL A 14 -5.158 2.273 -7.160 1.00 0.00 C ATOM 191 C VAL A 14 -3.766 1.740 -6.835 1.00 0.00 C ATOM 192 O VAL A 14 -2.794 2.067 -7.510 1.00 0.00 O ATOM 193 CB VAL A 14 -5.546 3.462 -6.277 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.538 4.362 -7.004 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.169 2.971 -4.988 1.00 0.00 C ATOM 0 H VAL A 14 -6.965 1.358 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.111 2.670 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.644 4.031 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.804 5.203 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.085 4.735 -7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.435 3.793 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.441 3.825 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.061 2.388 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.454 2.347 -4.453 1.00 0.00 H new ATOM 205 N LEU A 15 -3.681 0.874 -5.821 1.00 0.00 N ATOM 206 CA LEU A 15 -2.446 0.203 -5.441 1.00 0.00 C ATOM 207 C LEU A 15 -1.993 -0.700 -6.580 1.00 0.00 C ATOM 208 O LEU A 15 -0.809 -0.771 -6.901 1.00 0.00 O ATOM 209 CB LEU A 15 -2.686 -0.579 -4.134 1.00 0.00 C ATOM 210 CG LEU A 15 -1.466 -1.109 -3.390 1.00 0.00 C ATOM 211 CD1 LEU A 15 -1.876 -1.890 -2.152 1.00 0.00 C ATOM 212 CD2 LEU A 15 -0.533 -1.939 -4.235 1.00 0.00 C ATOM 0 H LEU A 15 -4.479 0.620 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.649 0.924 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.239 0.068 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.332 -1.426 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.906 -0.220 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.985 -2.256 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.438 -1.240 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.499 -2.735 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.307 -2.275 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.068 -2.805 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.162 -1.338 -5.065 1.00 0.00 H new ATOM 224 N LEU A 16 -2.941 -1.410 -7.184 1.00 0.00 N ATOM 225 CA LEU A 16 -2.656 -2.404 -8.197 1.00 0.00 C ATOM 226 C LEU A 16 -2.055 -1.790 -9.466 1.00 0.00 C ATOM 227 O LEU A 16 -1.534 -2.546 -10.274 1.00 0.00 O ATOM 228 CB LEU A 16 -3.932 -3.207 -8.514 1.00 0.00 C ATOM 229 CG LEU A 16 -3.811 -4.677 -8.089 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.855 -4.804 -6.556 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.952 -5.481 -8.710 1.00 0.00 C ATOM 0 H LEU A 16 -3.935 -1.306 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.900 -3.080 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.782 -2.752 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.136 -3.155 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.855 -5.067 -8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.768 -5.854 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.029 -4.242 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.800 -4.406 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.867 -6.525 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.907 -5.081 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.897 -5.411 -9.796 1.00 0.00 H new ATOM 243 N SER A 17 -2.093 -0.468 -9.629 1.00 0.00 N ATOM 244 CA SER A 17 -1.449 0.271 -10.709 1.00 0.00 C ATOM 245 C SER A 17 -0.164 0.984 -10.239 1.00 0.00 C ATOM 246 O SER A 17 0.426 1.748 -10.997 1.00 0.00 O ATOM 247 CB SER A 17 -2.469 1.221 -11.344 1.00 0.00 C ATOM 248 OG SER A 17 -3.645 0.526 -11.737 1.00 0.00 O ATOM 0 H SER A 17 -2.595 0.141 -8.983 1.00 0.00 H new ATOM 0 HA SER A 17 -1.115 -0.429 -11.475 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.728 2.007 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.025 1.708 -12.212 1.00 0.00 H new ATOM 0 HG SER A 17 -4.279 1.157 -12.137 1.00 0.00 H new ATOM 254 N VAL A 18 0.235 0.836 -8.967 1.00 0.00 N ATOM 255 CA VAL A 18 1.350 1.556 -8.346 1.00 0.00 C ATOM 256 C VAL A 18 2.428 0.590 -7.824 1.00 0.00 C ATOM 257 O VAL A 18 3.425 0.372 -8.507 1.00 0.00 O ATOM 258 CB VAL A 18 0.793 2.565 -7.315 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.897 3.262 -6.492 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.008 3.657 -8.038 1.00 0.00 C ATOM 0 H VAL A 18 -0.226 0.191 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 18 1.885 2.150 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 18 0.168 1.989 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.441 3.957 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.470 2.514 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.561 3.808 -7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.399 4.366 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.641 4.180 -8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.836 3.202 -8.581 1.00 0.00 H new ATOM 270 N LEU A 19 2.308 0.048 -6.604 1.00 0.00 N ATOM 271 CA LEU A 19 3.419 -0.676 -5.967 1.00 0.00 C ATOM 272 C LEU A 19 3.732 -1.951 -6.748 1.00 0.00 C ATOM 273 O LEU A 19 4.839 -2.124 -7.246 1.00 0.00 O ATOM 274 CB LEU A 19 3.129 -0.979 -4.486 1.00 0.00 C ATOM 275 CG LEU A 19 4.150 -0.448 -3.476 1.00 0.00 C ATOM 276 CD1 LEU A 19 5.502 -1.157 -3.520 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.321 1.075 -3.521 1.00 0.00 C ATOM 0 H LEU A 19 1.459 0.096 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 19 4.299 -0.033 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.152 -0.565 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.057 -2.060 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 19 3.706 -0.693 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.166 -0.721 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.364 -2.217 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.942 -1.040 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.059 1.380 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.659 1.374 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.367 1.555 -3.303 1.00 0.00 H new ATOM 289 N GLN A 20 2.752 -2.847 -6.853 1.00 0.00 N ATOM 290 CA GLN A 20 2.858 -4.052 -7.669 1.00 0.00 C ATOM 291 C GLN A 20 3.382 -3.819 -9.083 1.00 0.00 C ATOM 292 O GLN A 20 4.137 -4.636 -9.578 1.00 0.00 O ATOM 293 CB GLN A 20 1.533 -4.807 -7.638 1.00 0.00 C ATOM 294 CG GLN A 20 0.447 -4.388 -8.635 1.00 0.00 C ATOM 295 CD GLN A 20 0.656 -4.925 -10.056 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.829 -4.156 -10.986 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.628 -6.224 -10.281 1.00 0.00 N ATOM 0 H GLN A 20 1.858 -2.755 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 20 3.630 -4.677 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.746 -5.864 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.119 -4.715 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.520 -4.732 -8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.405 -3.299 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.484 -6.873 -9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.751 -6.580 -11.229 1.00 0.00 H new ATOM 306 N GLN A 21 3.023 -2.691 -9.682 1.00 0.00 N ATOM 307 CA GLN A 21 3.355 -2.335 -11.058 1.00 0.00 C ATOM 308 C GLN A 21 4.852 -2.517 -11.333 1.00 0.00 C ATOM 309 O GLN A 21 5.219 -2.985 -12.406 1.00 0.00 O ATOM 310 CB GLN A 21 2.842 -0.903 -11.319 1.00 0.00 C ATOM 311 CG GLN A 21 2.204 -0.667 -12.695 1.00 0.00 C ATOM 312 CD GLN A 21 3.192 -0.181 -13.756 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.236 -0.762 -13.998 1.00 0.00 O ATOM 314 NE2 GLN A 21 2.918 0.953 -14.379 1.00 0.00 N ATOM 0 H GLN A 21 2.474 -1.974 -9.208 1.00 0.00 H new ATOM 0 HA GLN A 21 2.861 -3.005 -11.762 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.110 -0.653 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.676 -0.211 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.745 -1.595 -13.037 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.404 0.066 -12.594 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.047 1.445 -14.182 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.578 1.335 -15.056 1.00 0.00 H new ATOM 323 N LEU A 22 5.714 -2.218 -10.349 1.00 0.00 N ATOM 324 CA LEU A 22 7.168 -2.209 -10.540 1.00 0.00 C ATOM 325 C LEU A 22 7.968 -3.007 -9.504 1.00 0.00 C ATOM 326 O LEU A 22 9.195 -3.053 -9.615 1.00 0.00 O ATOM 327 CB LEU A 22 7.663 -0.741 -10.571 1.00 0.00 C ATOM 328 CG LEU A 22 8.292 -0.293 -11.897 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.529 -1.129 -12.247 1.00 0.00 C ATOM 330 CD2 LEU A 22 7.255 -0.272 -13.017 1.00 0.00 C ATOM 0 H LEU A 22 5.421 -1.977 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 22 7.349 -2.716 -11.488 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.822 -0.086 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.395 -0.604 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 22 8.644 0.732 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.947 -0.782 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.275 -1.022 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.246 -2.178 -12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.728 0.049 -13.945 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.841 -1.272 -13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.455 0.422 -12.759 1.00 0.00 H new ATOM 342 N ARG A 23 7.348 -3.532 -8.440 1.00 0.00 N ATOM 343 CA ARG A 23 8.087 -3.988 -7.254 1.00 0.00 C ATOM 344 C ARG A 23 7.641 -5.376 -6.821 1.00 0.00 C ATOM 345 O ARG A 23 8.417 -6.329 -6.878 1.00 0.00 O ATOM 346 CB ARG A 23 7.973 -2.964 -6.110 1.00 0.00 C ATOM 347 CG ARG A 23 8.470 -1.554 -6.475 1.00 0.00 C ATOM 348 CD ARG A 23 7.365 -0.643 -7.025 1.00 0.00 C ATOM 349 NE ARG A 23 7.797 0.751 -7.135 1.00 0.00 N ATOM 350 CZ ARG A 23 7.008 1.819 -7.288 1.00 0.00 C ATOM 351 NH1 ARG A 23 5.696 1.698 -7.461 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.551 3.027 -7.254 1.00 0.00 N ATOM 0 H ARG A 23 6.337 -3.652 -8.375 1.00 0.00 H new ATOM 0 HA ARG A 23 9.141 -4.064 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.931 -2.900 -5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.541 -3.327 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.907 -1.090 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.265 -1.637 -7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.055 -1.003 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.493 -0.700 -6.374 1.00 0.00 H new ATOM 0 HE ARG A 23 8.801 0.925 -7.090 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.267 0.773 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.118 2.530 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.556 3.131 -7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.964 3.853 -7.369 1.00 0.00 H new ATOM 366 N VAL A 24 6.395 -5.474 -6.368 1.00 0.00 N ATOM 367 CA VAL A 24 5.719 -6.749 -6.154 1.00 0.00 C ATOM 368 C VAL A 24 5.109 -7.178 -7.498 1.00 0.00 C ATOM 369 O VAL A 24 5.587 -6.741 -8.540 1.00 0.00 O ATOM 370 CB VAL A 24 4.844 -6.668 -4.880 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.841 -5.512 -4.786 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.127 -7.961 -4.498 1.00 0.00 C ATOM 0 H VAL A 24 5.821 -4.663 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 24 6.366 -7.588 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 24 5.633 -6.463 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.297 -5.578 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.375 -4.563 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.137 -5.572 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.542 -7.799 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.465 -8.263 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.862 -8.745 -4.319 1.00 0.00 H new ATOM 382 N GLU A 25 4.132 -8.069 -7.511 1.00 0.00 N ATOM 383 CA GLU A 25 3.492 -8.629 -8.692 1.00 0.00 C ATOM 384 C GLU A 25 2.009 -8.797 -8.373 1.00 0.00 C ATOM 385 O GLU A 25 1.598 -8.534 -7.241 1.00 0.00 O ATOM 386 CB GLU A 25 4.160 -9.960 -9.050 1.00 0.00 C ATOM 387 CG GLU A 25 5.045 -9.859 -10.294 1.00 0.00 C ATOM 388 CD GLU A 25 4.268 -9.695 -11.604 1.00 0.00 C ATOM 389 OE1 GLU A 25 3.040 -9.452 -11.601 1.00 0.00 O ATOM 390 OE2 GLU A 25 4.923 -9.854 -12.664 1.00 0.00 O ATOM 0 H GLU A 25 3.740 -8.444 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 25 3.597 -7.975 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.762 -10.298 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.391 -10.715 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.722 -9.013 -10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.663 -10.754 -10.361 1.00 0.00 H new ATOM 397 N SER A 26 1.209 -9.246 -9.343 1.00 0.00 N ATOM 398 CA SER A 26 -0.134 -9.744 -9.061 1.00 0.00 C ATOM 399 C SER A 26 -0.130 -11.174 -8.499 1.00 0.00 C ATOM 400 O SER A 26 -1.187 -11.658 -8.080 1.00 0.00 O ATOM 401 CB SER A 26 -1.029 -9.621 -10.296 1.00 0.00 C ATOM 402 OG SER A 26 -1.441 -8.274 -10.433 1.00 0.00 O ATOM 0 H SER A 26 1.470 -9.274 -10.329 1.00 0.00 H new ATOM 0 HA SER A 26 -0.552 -9.114 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.488 -9.942 -11.186 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.897 -10.272 -10.198 1.00 0.00 H new ATOM 0 HG SER A 26 -2.014 -8.186 -11.223 1.00 0.00 H new ATOM 408 N SER A 27 1.010 -11.868 -8.475 1.00 0.00 N ATOM 409 CA SER A 27 1.138 -13.171 -7.835 1.00 0.00 C ATOM 410 C SER A 27 1.457 -13.014 -6.339 1.00 0.00 C ATOM 411 O SER A 27 1.726 -11.910 -5.855 1.00 0.00 O ATOM 412 CB SER A 27 2.179 -14.005 -8.590 1.00 0.00 C ATOM 413 OG SER A 27 1.945 -15.376 -8.343 1.00 0.00 O ATOM 0 H SER A 27 1.874 -11.536 -8.903 1.00 0.00 H new ATOM 0 HA SER A 27 0.190 -13.707 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.120 -13.801 -9.659 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.184 -13.732 -8.268 1.00 0.00 H new ATOM 0 HG SER A 27 2.608 -15.913 -8.826 1.00 0.00 H new ATOM 419 N SER A 28 1.443 -14.140 -5.621 1.00 0.00 N ATOM 420 CA SER A 28 1.484 -14.302 -4.168 1.00 0.00 C ATOM 421 C SER A 28 0.250 -13.728 -3.471 1.00 0.00 C ATOM 422 O SER A 28 -0.189 -12.606 -3.737 1.00 0.00 O ATOM 423 CB SER A 28 2.775 -13.738 -3.560 1.00 0.00 C ATOM 424 OG SER A 28 2.794 -14.021 -2.176 1.00 0.00 O ATOM 0 H SER A 28 1.398 -15.046 -6.088 1.00 0.00 H new ATOM 0 HA SER A 28 1.476 -15.377 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.645 -14.180 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.830 -12.662 -3.725 1.00 0.00 H new ATOM 0 HG SER A 28 3.615 -13.661 -1.780 1.00 0.00 H new ATOM 430 N LYS A 29 -0.303 -14.480 -2.513 1.00 0.00 N ATOM 431 CA LYS A 29 -1.311 -13.939 -1.606 1.00 0.00 C ATOM 432 C LYS A 29 -0.692 -13.166 -0.449 1.00 0.00 C ATOM 433 O LYS A 29 -1.415 -12.368 0.135 1.00 0.00 O ATOM 434 CB LYS A 29 -2.228 -15.044 -1.065 1.00 0.00 C ATOM 435 CG LYS A 29 -3.336 -15.452 -2.030 1.00 0.00 C ATOM 436 CD LYS A 29 -4.356 -14.335 -2.298 1.00 0.00 C ATOM 437 CE LYS A 29 -5.665 -14.979 -2.749 1.00 0.00 C ATOM 438 NZ LYS A 29 -6.495 -15.444 -1.613 1.00 0.00 N ATOM 0 H LYS A 29 -0.069 -15.459 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.908 -13.242 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.625 -15.920 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.678 -14.705 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.889 -15.760 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.857 -16.320 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.515 -13.742 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.983 -13.656 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.234 -14.261 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.444 -15.824 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.371 -15.872 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.966 -16.150 -1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.732 -14.636 -1.002 1.00 0.00 H new ATOM 452 N LEU A 30 0.595 -13.332 -0.121 1.00 0.00 N ATOM 453 CA LEU A 30 1.227 -12.613 0.986 1.00 0.00 C ATOM 454 C LEU A 30 1.079 -11.111 0.767 1.00 0.00 C ATOM 455 O LEU A 30 0.647 -10.368 1.645 1.00 0.00 O ATOM 456 CB LEU A 30 2.706 -13.025 1.074 1.00 0.00 C ATOM 457 CG LEU A 30 3.532 -12.221 2.086 1.00 0.00 C ATOM 458 CD1 LEU A 30 2.948 -12.324 3.497 1.00 0.00 C ATOM 459 CD2 LEU A 30 4.975 -12.734 2.064 1.00 0.00 C ATOM 0 H LEU A 30 1.223 -13.966 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 30 0.743 -12.866 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.761 -14.081 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.159 -12.918 0.088 1.00 0.00 H new ATOM 0 HG LEU A 30 3.507 -11.168 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.559 -11.742 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.929 -11.936 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.939 -13.368 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.573 -12.170 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.990 -13.790 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.391 -12.607 1.064 1.00 0.00 H new ATOM 471 N TRP A 31 1.387 -10.678 -0.452 1.00 0.00 N ATOM 472 CA TRP A 31 1.169 -9.323 -0.914 1.00 0.00 C ATOM 473 C TRP A 31 -0.291 -8.894 -0.725 1.00 0.00 C ATOM 474 O TRP A 31 -0.590 -7.874 -0.105 1.00 0.00 O ATOM 475 CB TRP A 31 1.581 -9.288 -2.380 1.00 0.00 C ATOM 476 CG TRP A 31 1.027 -8.160 -3.188 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.204 -6.837 -2.987 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.082 -8.261 -4.284 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.560 -6.134 -3.987 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.150 -6.968 -4.818 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.646 -9.326 -4.832 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -1.019 -6.743 -5.893 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -1.553 -9.119 -5.887 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.718 -7.834 -6.434 1.00 0.00 C ATOM 0 H TRP A 31 1.806 -11.281 -1.160 1.00 0.00 H new ATOM 0 HA TRP A 31 1.762 -8.616 -0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.669 -9.245 -2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.277 -10.226 -2.845 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.761 -6.397 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.606 -5.121 -4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.508 -10.322 -4.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.149 -5.750 -6.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.124 -9.948 -6.278 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.383 -7.686 -7.272 1.00 0.00 H new ATOM 495 N ALA A 32 -1.193 -9.677 -1.302 1.00 0.00 N ATOM 496 CA ALA A 32 -2.628 -9.457 -1.412 1.00 0.00 C ATOM 497 C ALA A 32 -3.308 -9.337 -0.045 1.00 0.00 C ATOM 498 O ALA A 32 -4.224 -8.533 0.115 1.00 0.00 O ATOM 499 CB ALA A 32 -3.277 -10.575 -2.233 1.00 0.00 C ATOM 0 H ALA A 32 -0.916 -10.555 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.768 -8.505 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.350 -10.397 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.843 -10.592 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.101 -11.534 -1.745 1.00 0.00 H new ATOM 505 N GLN A 33 -2.839 -10.083 0.957 1.00 0.00 N ATOM 506 CA GLN A 33 -3.262 -9.960 2.349 1.00 0.00 C ATOM 507 C GLN A 33 -3.031 -8.531 2.864 1.00 0.00 C ATOM 508 O GLN A 33 -3.767 -8.061 3.727 1.00 0.00 O ATOM 509 CB GLN A 33 -2.487 -10.985 3.198 1.00 0.00 C ATOM 510 CG GLN A 33 -2.991 -12.423 2.999 1.00 0.00 C ATOM 511 CD GLN A 33 -2.036 -13.474 3.559 1.00 0.00 C ATOM 512 OE1 GLN A 33 -1.393 -14.199 2.807 1.00 0.00 O ATOM 513 NE2 GLN A 33 -1.937 -13.619 4.871 1.00 0.00 N ATOM 0 H GLN A 33 -2.136 -10.808 0.816 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.330 -10.164 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.429 -10.937 2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.572 -10.717 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.963 -12.531 3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.140 -12.606 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.473 -13.014 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.324 -14.336 5.260 1.00 0.00 H new ATOM 522 N CYS A 34 -2.043 -7.819 2.329 1.00 0.00 N ATOM 523 CA CYS A 34 -1.774 -6.415 2.585 1.00 0.00 C ATOM 524 C CYS A 34 -2.525 -5.507 1.633 1.00 0.00 C ATOM 525 O CYS A 34 -2.939 -4.414 2.028 1.00 0.00 O ATOM 526 CB CYS A 34 -0.264 -6.228 2.471 1.00 0.00 C ATOM 527 SG CYS A 34 0.374 -5.042 3.666 1.00 0.00 S ATOM 0 H CYS A 34 -1.378 -8.230 1.674 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.123 -6.138 3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.230 -7.188 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.017 -5.893 1.464 1.00 0.00 H new ATOM 0 HG CYS A 34 1.424 -4.453 3.175 1.00 0.00 H new ATOM 533 N VAL A 35 -2.754 -5.948 0.399 1.00 0.00 N ATOM 534 CA VAL A 35 -3.573 -5.170 -0.499 1.00 0.00 C ATOM 535 C VAL A 35 -4.975 -5.016 0.106 1.00 0.00 C ATOM 536 O VAL A 35 -5.502 -3.907 0.057 1.00 0.00 O ATOM 537 CB VAL A 35 -3.602 -5.778 -1.914 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.542 -5.064 -2.893 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.212 -5.765 -2.542 1.00 0.00 C ATOM 0 H VAL A 35 -2.390 -6.819 0.013 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.138 -4.177 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.972 -6.792 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.500 -5.558 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.562 -5.102 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.233 -4.024 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.260 -6.200 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.853 -4.738 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.528 -6.348 -1.925 1.00 0.00 H new ATOM 549 N GLN A 36 -5.567 -6.050 0.715 1.00 0.00 N ATOM 550 CA GLN A 36 -6.924 -5.917 1.234 1.00 0.00 C ATOM 551 C GLN A 36 -7.049 -4.831 2.313 1.00 0.00 C ATOM 552 O GLN A 36 -8.081 -4.160 2.358 1.00 0.00 O ATOM 553 CB GLN A 36 -7.529 -7.259 1.659 1.00 0.00 C ATOM 554 CG GLN A 36 -6.804 -8.030 2.771 1.00 0.00 C ATOM 555 CD GLN A 36 -7.672 -9.156 3.338 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.338 -10.339 3.275 1.00 0.00 O ATOM 557 NE2 GLN A 36 -8.814 -8.827 3.928 1.00 0.00 N ATOM 0 H GLN A 36 -5.137 -6.964 0.856 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.532 -5.569 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.554 -7.081 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.580 -7.901 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.877 -8.448 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.531 -7.343 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.096 -7.848 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.410 -9.553 4.326 1.00 0.00 H new ATOM 566 N LEU A 37 -6.011 -4.600 3.127 1.00 0.00 N ATOM 567 CA LEU A 37 -5.928 -3.465 4.036 1.00 0.00 C ATOM 568 C LEU A 37 -5.876 -2.155 3.271 1.00 0.00 C ATOM 569 O LEU A 37 -6.651 -1.261 3.590 1.00 0.00 O ATOM 570 CB LEU A 37 -4.705 -3.591 4.963 1.00 0.00 C ATOM 571 CG LEU A 37 -5.047 -3.507 6.461 1.00 0.00 C ATOM 572 CD1 LEU A 37 -5.547 -2.128 6.885 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.062 -4.591 6.823 1.00 0.00 C ATOM 0 H LEU A 37 -5.195 -5.211 3.168 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.829 -3.467 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.209 -4.541 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.993 -2.803 4.718 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.122 -3.675 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.771 -2.134 7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.778 -1.383 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.450 -1.881 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.300 -4.526 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.971 -4.449 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.640 -5.572 6.605 1.00 0.00 H new ATOM 585 N HIS A 38 -5.040 -2.031 2.231 1.00 0.00 N ATOM 586 CA HIS A 38 -5.029 -0.809 1.419 1.00 0.00 C ATOM 587 C HIS A 38 -6.455 -0.434 0.974 1.00 0.00 C ATOM 588 O HIS A 38 -6.735 0.750 0.866 1.00 0.00 O ATOM 589 CB HIS A 38 -4.068 -0.891 0.228 1.00 0.00 C ATOM 590 CG HIS A 38 -4.750 -0.867 -1.123 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.276 -1.959 -1.763 1.00 0.00 N ATOM 592 CD2 HIS A 38 -4.968 0.218 -1.928 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.745 -1.556 -2.948 1.00 0.00 C ATOM 594 NE2 HIS A 38 -5.696 -0.217 -3.015 1.00 0.00 N ATOM 0 H HIS A 38 -4.375 -2.747 1.937 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.648 -0.010 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.367 -0.058 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.482 -1.807 0.311 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.305 -2.911 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.632 1.228 -1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.107 -2.207 -3.730 1.00 0.00 H new ATOM 603 N ASN A 39 -7.348 -1.406 0.714 1.00 0.00 N ATOM 604 CA ASN A 39 -8.713 -1.145 0.243 1.00 0.00 C ATOM 605 C ASN A 39 -9.570 -0.432 1.292 1.00 0.00 C ATOM 606 O ASN A 39 -10.622 0.107 0.960 1.00 0.00 O ATOM 607 CB ASN A 39 -9.487 -2.432 -0.094 1.00 0.00 C ATOM 608 CG ASN A 39 -8.856 -3.398 -1.078 1.00 0.00 C ATOM 609 OD1 ASN A 39 -7.915 -3.077 -1.795 1.00 0.00 O ATOM 610 ND2 ASN A 39 -9.371 -4.612 -1.134 1.00 0.00 N ATOM 0 H ASN A 39 -7.138 -2.398 0.826 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.564 -0.528 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.664 -2.970 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.462 -2.144 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.986 -5.300 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.154 -4.862 -0.530 1.00 0.00 H new ATOM 617 N ASP A 40 -9.174 -0.493 2.559 1.00 0.00 N ATOM 618 CA ASP A 40 -9.817 0.141 3.698 1.00 0.00 C ATOM 619 C ASP A 40 -9.198 1.481 4.016 1.00 0.00 C ATOM 620 O ASP A 40 -9.907 2.444 4.316 1.00 0.00 O ATOM 621 CB ASP A 40 -9.700 -0.811 4.891 1.00 0.00 C ATOM 622 CG ASP A 40 -9.641 -0.206 6.300 1.00 0.00 C ATOM 623 OD1 ASP A 40 -8.703 0.525 6.661 1.00 0.00 O ATOM 624 OD2 ASP A 40 -10.598 -0.483 7.067 1.00 0.00 O ATOM 0 H ASP A 40 -8.344 -1.020 2.832 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.864 0.333 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.550 -1.493 4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.802 -1.413 4.750 1.00 0.00 H new ATOM 629 N ILE A 41 -7.880 1.531 3.870 1.00 0.00 N ATOM 630 CA ILE A 41 -7.028 2.615 4.319 1.00 0.00 C ATOM 631 C ILE A 41 -7.389 3.901 3.599 1.00 0.00 C ATOM 632 O ILE A 41 -7.114 4.986 4.079 1.00 0.00 O ATOM 633 CB ILE A 41 -5.583 2.182 4.042 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.161 1.097 5.071 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.584 3.326 4.113 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.792 1.621 6.475 1.00 0.00 C ATOM 0 H ILE A 41 -7.357 0.783 3.415 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.157 2.816 5.383 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.568 1.796 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.976 0.381 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.306 0.553 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.583 2.948 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.845 4.083 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.607 3.768 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.513 0.783 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.953 2.313 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.649 2.138 6.907 1.00 0.00 H new ATOM 648 N LEU A 42 -8.050 3.783 2.461 1.00 0.00 N ATOM 649 CA LEU A 42 -8.594 4.846 1.646 1.00 0.00 C ATOM 650 C LEU A 42 -9.500 5.735 2.463 1.00 0.00 C ATOM 651 O LEU A 42 -9.465 6.948 2.261 1.00 0.00 O ATOM 652 CB LEU A 42 -9.336 4.225 0.490 1.00 0.00 C ATOM 653 CG LEU A 42 -8.318 3.412 -0.320 1.00 0.00 C ATOM 654 CD1 LEU A 42 -9.076 2.421 -1.135 1.00 0.00 C ATOM 655 CD2 LEU A 42 -7.309 4.256 -1.075 1.00 0.00 C ATOM 0 H LEU A 42 -8.233 2.866 2.054 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.788 5.474 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.141 3.584 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.794 4.995 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.658 2.864 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.379 1.825 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.645 1.766 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.759 2.946 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.626 3.605 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.831 4.906 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.743 4.865 -0.370 1.00 0.00 H new ATOM 667 N LEU A 43 -10.246 5.157 3.418 1.00 0.00 N ATOM 668 CA LEU A 43 -10.945 5.957 4.416 1.00 0.00 C ATOM 669 C LEU A 43 -10.334 5.695 5.775 1.00 0.00 C ATOM 670 O LEU A 43 -11.026 5.294 6.711 1.00 0.00 O ATOM 671 CB LEU A 43 -12.460 5.738 4.377 1.00 0.00 C ATOM 672 CG LEU A 43 -13.121 6.138 3.049 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.638 6.062 3.157 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.710 7.558 2.705 1.00 0.00 C ATOM 0 H LEU A 43 -10.375 4.150 3.514 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.815 7.015 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.669 4.686 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.919 6.308 5.185 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.796 5.450 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.085 6.349 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.935 5.043 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.982 6.740 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.173 7.853 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.035 8.233 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.626 7.609 2.607 1.00 0.00 H new ATOM 686 N ALA A 44 -9.023 5.916 5.885 1.00 0.00 N ATOM 687 CA ALA A 44 -8.353 5.767 7.175 1.00 0.00 C ATOM 688 C ALA A 44 -8.631 6.999 8.026 1.00 0.00 C ATOM 689 O ALA A 44 -9.080 6.897 9.170 1.00 0.00 O ATOM 690 CB ALA A 44 -6.854 5.573 6.973 1.00 0.00 C ATOM 0 H ALA A 44 -8.416 6.193 5.114 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.738 4.886 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.367 5.463 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.680 4.678 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.441 6.439 6.456 1.00 0.00 H new ATOM 696 N LYS A 45 -8.377 8.177 7.454 1.00 0.00 N ATOM 697 CA LYS A 45 -8.525 9.448 8.136 1.00 0.00 C ATOM 698 C LYS A 45 -9.120 10.447 7.166 1.00 0.00 C ATOM 699 O LYS A 45 -10.321 10.699 7.204 1.00 0.00 O ATOM 700 CB LYS A 45 -7.166 9.847 8.746 1.00 0.00 C ATOM 701 CG LYS A 45 -7.140 11.200 9.468 1.00 0.00 C ATOM 702 CD LYS A 45 -8.310 11.327 10.447 1.00 0.00 C ATOM 703 CE LYS A 45 -8.076 12.440 11.469 1.00 0.00 C ATOM 704 NZ LYS A 45 -9.166 12.499 12.465 1.00 0.00 N ATOM 0 H LYS A 45 -8.058 8.268 6.489 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.218 9.399 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.862 9.073 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.421 9.865 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.198 11.310 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.185 12.007 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.227 11.529 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.453 10.380 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.126 12.275 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.000 13.398 10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.976 13.264 13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.069 12.681 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.222 11.593 12.973 1.00 0.00 H new ATOM 718 N ASP A 46 -8.302 10.922 6.248 1.00 0.00 N ATOM 719 CA ASP A 46 -8.640 11.889 5.213 1.00 0.00 C ATOM 720 C ASP A 46 -7.978 11.406 3.929 1.00 0.00 C ATOM 721 O ASP A 46 -7.050 10.603 4.049 1.00 0.00 O ATOM 722 CB ASP A 46 -8.098 13.263 5.613 1.00 0.00 C ATOM 723 CG ASP A 46 -8.983 14.330 5.007 1.00 0.00 C ATOM 724 OD1 ASP A 46 -8.885 14.536 3.780 1.00 0.00 O ATOM 725 OD2 ASP A 46 -9.799 14.894 5.774 1.00 0.00 O ATOM 0 H ASP A 46 -7.326 10.629 6.198 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.718 11.977 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.079 13.360 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.072 13.380 5.264 1.00 0.00 H new ATOM 730 N THR A 47 -8.381 11.865 2.735 1.00 0.00 N ATOM 731 CA THR A 47 -7.900 11.269 1.481 1.00 0.00 C ATOM 732 C THR A 47 -6.366 11.265 1.413 1.00 0.00 C ATOM 733 O THR A 47 -5.799 10.297 0.907 1.00 0.00 O ATOM 734 CB THR A 47 -8.494 11.960 0.235 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.899 12.160 0.330 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.235 11.124 -1.029 1.00 0.00 C ATOM 0 H THR A 47 -9.033 12.640 2.612 1.00 0.00 H new ATOM 0 HA THR A 47 -8.248 10.236 1.479 1.00 0.00 H new ATOM 0 HB THR A 47 -7.999 12.929 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.222 12.602 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.663 11.631 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.161 11.004 -1.172 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.698 10.143 -0.918 1.00 0.00 H new ATOM 744 N THR A 48 -5.718 12.297 1.965 1.00 0.00 N ATOM 745 CA THR A 48 -4.273 12.349 2.078 1.00 0.00 C ATOM 746 C THR A 48 -3.771 11.182 2.934 1.00 0.00 C ATOM 747 O THR A 48 -3.249 10.210 2.394 1.00 0.00 O ATOM 748 CB THR A 48 -3.836 13.718 2.628 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.294 14.781 1.807 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.316 13.795 2.732 1.00 0.00 C ATOM 0 H THR A 48 -6.191 13.117 2.344 1.00 0.00 H new ATOM 0 HA THR A 48 -3.821 12.241 1.092 1.00 0.00 H new ATOM 0 HB THR A 48 -4.280 13.821 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.001 15.636 2.185 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.027 14.771 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.957 13.015 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.876 13.655 1.745 1.00 0.00 H new ATOM 758 N GLU A 49 -3.918 11.272 4.263 1.00 0.00 N ATOM 759 CA GLU A 49 -3.233 10.378 5.200 1.00 0.00 C ATOM 760 C GLU A 49 -3.605 8.916 4.964 1.00 0.00 C ATOM 761 O GLU A 49 -2.837 8.016 5.288 1.00 0.00 O ATOM 762 CB GLU A 49 -3.561 10.722 6.658 1.00 0.00 C ATOM 763 CG GLU A 49 -3.583 12.221 6.993 1.00 0.00 C ATOM 764 CD GLU A 49 -3.469 12.512 8.497 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.043 11.632 9.283 1.00 0.00 O ATOM 766 OE2 GLU A 49 -3.802 13.653 8.896 1.00 0.00 O ATOM 0 H GLU A 49 -4.514 11.965 4.715 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.167 10.520 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.535 10.298 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.829 10.234 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.762 12.714 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.508 12.657 6.615 1.00 0.00 H new ATOM 773 N ALA A 50 -4.790 8.707 4.396 1.00 0.00 N ATOM 774 CA ALA A 50 -5.293 7.464 3.895 1.00 0.00 C ATOM 775 C ALA A 50 -4.361 6.870 2.860 1.00 0.00 C ATOM 776 O ALA A 50 -3.572 5.988 3.180 1.00 0.00 O ATOM 777 CB ALA A 50 -6.689 7.726 3.316 1.00 0.00 C ATOM 0 H ALA A 50 -5.459 9.467 4.273 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.357 6.732 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.101 6.796 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.342 8.111 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.618 8.458 2.511 1.00 0.00 H new ATOM 783 N PHE A 51 -4.484 7.315 1.614 1.00 0.00 N ATOM 784 CA PHE A 51 -3.680 6.769 0.529 1.00 0.00 C ATOM 785 C PHE A 51 -2.191 6.772 0.898 1.00 0.00 C ATOM 786 O PHE A 51 -1.502 5.807 0.581 1.00 0.00 O ATOM 787 CB PHE A 51 -3.971 7.453 -0.815 1.00 0.00 C ATOM 788 CG PHE A 51 -2.706 7.842 -1.586 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.022 6.859 -2.329 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.083 9.090 -1.392 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.762 7.105 -2.890 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.791 9.322 -1.912 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.128 8.328 -2.660 1.00 0.00 C ATOM 0 H PHE A 51 -5.132 8.051 1.332 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.970 5.728 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.572 6.785 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.569 8.347 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.481 5.891 -2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.593 9.869 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.283 6.352 -3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.306 10.270 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.862 8.511 -3.052 1.00 0.00 H new ATOM 803 N GLU A 52 -1.713 7.792 1.608 1.00 0.00 N ATOM 804 CA GLU A 52 -0.346 7.865 2.102 1.00 0.00 C ATOM 805 C GLU A 52 -0.009 6.628 2.949 1.00 0.00 C ATOM 806 O GLU A 52 0.896 5.875 2.586 1.00 0.00 O ATOM 807 CB GLU A 52 -0.160 9.227 2.803 1.00 0.00 C ATOM 808 CG GLU A 52 -0.066 10.340 1.720 1.00 0.00 C ATOM 809 CD GLU A 52 1.026 11.400 1.896 1.00 0.00 C ATOM 810 OE1 GLU A 52 0.797 12.456 2.529 1.00 0.00 O ATOM 811 OE2 GLU A 52 2.059 11.259 1.189 1.00 0.00 O ATOM 0 H GLU A 52 -2.278 8.604 1.859 1.00 0.00 H new ATOM 0 HA GLU A 52 0.383 7.832 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.996 9.423 3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.743 9.217 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.084 9.859 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.028 10.851 1.676 1.00 0.00 H new ATOM 818 N LYS A 53 -0.797 6.302 3.981 1.00 0.00 N ATOM 819 CA LYS A 53 -0.628 5.055 4.737 1.00 0.00 C ATOM 820 C LYS A 53 -0.692 3.843 3.812 1.00 0.00 C ATOM 821 O LYS A 53 0.008 2.859 4.049 1.00 0.00 O ATOM 822 CB LYS A 53 -1.711 4.941 5.826 1.00 0.00 C ATOM 823 CG LYS A 53 -1.388 5.750 7.090 1.00 0.00 C ATOM 824 CD LYS A 53 -0.728 4.865 8.157 1.00 0.00 C ATOM 825 CE LYS A 53 -0.246 5.646 9.382 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.279 6.506 9.994 1.00 0.00 N ATOM 0 H LYS A 53 -1.562 6.889 4.313 1.00 0.00 H new ATOM 0 HA LYS A 53 0.354 5.076 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.663 5.281 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.836 3.892 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.724 6.577 6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.303 6.187 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.439 4.104 8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.119 4.343 7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.114 4.940 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.603 6.266 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.897 6.948 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.559 7.246 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.109 5.930 10.240 1.00 0.00 H new ATOM 840 N MET A 54 -1.520 3.883 2.764 1.00 0.00 N ATOM 841 CA MET A 54 -1.804 2.722 1.931 1.00 0.00 C ATOM 842 C MET A 54 -0.564 2.349 1.102 1.00 0.00 C ATOM 843 O MET A 54 -0.487 1.239 0.566 1.00 0.00 O ATOM 844 CB MET A 54 -3.050 2.942 1.047 1.00 0.00 C ATOM 845 CG MET A 54 -2.778 3.138 -0.445 1.00 0.00 C ATOM 846 SD MET A 54 -4.141 3.728 -1.458 1.00 0.00 S ATOM 847 CE MET A 54 -3.392 3.541 -3.089 1.00 0.00 C ATOM 0 H MET A 54 -2.012 4.728 2.472 1.00 0.00 H new ATOM 0 HA MET A 54 -2.038 1.881 2.583 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.714 2.086 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.586 3.816 1.418 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.951 3.841 -0.548 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.440 2.186 -0.855 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.910 4.181 -3.803 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.341 3.826 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.472 2.502 -3.409 1.00 0.00 H new ATOM 857 N VAL A 55 0.366 3.281 0.885 1.00 0.00 N ATOM 858 CA VAL A 55 1.677 3.030 0.293 1.00 0.00 C ATOM 859 C VAL A 55 2.565 2.407 1.377 1.00 0.00 C ATOM 860 O VAL A 55 3.255 1.420 1.094 1.00 0.00 O ATOM 861 CB VAL A 55 2.237 4.364 -0.258 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.574 4.191 -0.982 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.301 4.996 -1.304 1.00 0.00 C ATOM 0 H VAL A 55 0.221 4.262 1.125 1.00 0.00 H new ATOM 0 HA VAL A 55 1.629 2.335 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 55 2.344 4.991 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.918 5.159 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.311 3.780 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.447 3.510 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.734 5.930 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.174 4.309 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.331 5.197 -0.850 1.00 0.00 H new ATOM 873 N SER A 56 2.492 2.917 2.609 1.00 0.00 N ATOM 874 CA SER A 56 3.428 2.605 3.672 1.00 0.00 C ATOM 875 C SER A 56 3.399 1.129 4.038 1.00 0.00 C ATOM 876 O SER A 56 4.446 0.480 4.040 1.00 0.00 O ATOM 877 CB SER A 56 3.201 3.536 4.874 1.00 0.00 C ATOM 878 OG SER A 56 4.438 3.978 5.406 1.00 0.00 O ATOM 0 H SER A 56 1.763 3.571 2.893 1.00 0.00 H new ATOM 0 HA SER A 56 4.440 2.791 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.604 4.395 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.635 3.012 5.644 1.00 0.00 H new ATOM 0 HG SER A 56 4.391 4.940 5.588 1.00 0.00 H new ATOM 884 N LEU A 57 2.210 0.553 4.225 1.00 0.00 N ATOM 885 CA LEU A 57 2.035 -0.885 4.417 1.00 0.00 C ATOM 886 C LEU A 57 2.814 -1.704 3.401 1.00 0.00 C ATOM 887 O LEU A 57 3.521 -2.642 3.779 1.00 0.00 O ATOM 888 CB LEU A 57 0.562 -1.319 4.374 1.00 0.00 C ATOM 889 CG LEU A 57 -0.397 -0.555 3.432 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.001 -1.440 2.327 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.563 -0.013 4.260 1.00 0.00 C ATOM 0 H LEU A 57 1.335 1.077 4.247 1.00 0.00 H new ATOM 0 HA LEU A 57 2.428 -1.081 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.533 -2.372 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.163 -1.246 5.386 1.00 0.00 H new ATOM 0 HG LEU A 57 0.190 0.230 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.664 -0.841 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.200 -1.854 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.567 -2.253 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.250 0.529 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.089 -0.842 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.182 0.660 5.028 1.00 0.00 H new ATOM 903 N LEU A 58 2.667 -1.391 2.111 1.00 0.00 N ATOM 904 CA LEU A 58 3.340 -2.189 1.097 1.00 0.00 C ATOM 905 C LEU A 58 4.849 -1.993 1.105 1.00 0.00 C ATOM 906 O LEU A 58 5.525 -2.918 0.673 1.00 0.00 O ATOM 907 CB LEU A 58 2.764 -2.015 -0.312 1.00 0.00 C ATOM 908 CG LEU A 58 1.504 -2.845 -0.636 1.00 0.00 C ATOM 909 CD1 LEU A 58 1.755 -3.633 -1.922 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.987 -3.896 0.358 1.00 0.00 C ATOM 0 H LEU A 58 2.106 -0.616 1.757 1.00 0.00 H new ATOM 0 HA LEU A 58 3.140 -3.222 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.528 -0.961 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.539 -2.272 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 58 0.744 -2.064 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.872 -4.225 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.963 -2.941 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.609 -4.296 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.095 -4.373 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.757 -4.649 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.742 -3.413 1.304 1.00 0.00 H new ATOM 922 N SER A 59 5.397 -0.879 1.597 1.00 0.00 N ATOM 923 CA SER A 59 6.850 -0.732 1.666 1.00 0.00 C ATOM 924 C SER A 59 7.475 -1.840 2.517 1.00 0.00 C ATOM 925 O SER A 59 8.371 -2.558 2.079 1.00 0.00 O ATOM 926 CB SER A 59 7.248 0.673 2.135 1.00 0.00 C ATOM 927 OG SER A 59 6.928 0.943 3.483 1.00 0.00 O ATOM 0 H SER A 59 4.867 -0.081 1.947 1.00 0.00 H new ATOM 0 HA SER A 59 7.253 -0.845 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.321 0.801 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.754 1.409 1.501 1.00 0.00 H new ATOM 0 HG SER A 59 5.964 1.097 3.566 1.00 0.00 H new ATOM 933 N VAL A 60 6.933 -2.022 3.713 1.00 0.00 N ATOM 934 CA VAL A 60 7.466 -2.948 4.698 1.00 0.00 C ATOM 935 C VAL A 60 6.999 -4.372 4.387 1.00 0.00 C ATOM 936 O VAL A 60 7.753 -5.320 4.588 1.00 0.00 O ATOM 937 CB VAL A 60 7.136 -2.429 6.113 1.00 0.00 C ATOM 938 CG1 VAL A 60 5.632 -2.336 6.405 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.831 -3.272 7.187 1.00 0.00 C ATOM 0 H VAL A 60 6.101 -1.524 4.029 1.00 0.00 H new ATOM 0 HA VAL A 60 8.554 -3.001 4.654 1.00 0.00 H new ATOM 0 HB VAL A 60 7.521 -1.410 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.480 -1.964 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.165 -1.654 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.181 -3.324 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.580 -2.883 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.498 -4.307 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.910 -3.227 7.043 1.00 0.00 H new ATOM 949 N LEU A 61 5.812 -4.553 3.797 1.00 0.00 N ATOM 950 CA LEU A 61 5.392 -5.850 3.284 1.00 0.00 C ATOM 951 C LEU A 61 6.317 -6.294 2.158 1.00 0.00 C ATOM 952 O LEU A 61 6.564 -7.489 2.047 1.00 0.00 O ATOM 953 CB LEU A 61 3.915 -5.772 2.879 1.00 0.00 C ATOM 954 CG LEU A 61 3.334 -6.753 1.841 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.874 -6.529 0.421 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.382 -8.218 2.278 1.00 0.00 C ATOM 0 H LEU A 61 5.126 -3.810 3.665 1.00 0.00 H new ATOM 0 HA LEU A 61 5.472 -6.618 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.326 -5.881 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.737 -4.764 2.503 1.00 0.00 H new ATOM 0 HG LEU A 61 2.273 -6.508 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.424 -7.253 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.625 -5.520 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.957 -6.655 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.956 -8.845 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.417 -8.511 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.808 -8.343 3.196 1.00 0.00 H new ATOM 968 N LEU A 62 6.872 -5.392 1.341 1.00 0.00 N ATOM 969 CA LEU A 62 7.804 -5.795 0.303 1.00 0.00 C ATOM 970 C LEU A 62 8.987 -6.535 0.943 1.00 0.00 C ATOM 971 O LEU A 62 9.466 -7.481 0.334 1.00 0.00 O ATOM 972 CB LEU A 62 8.229 -4.586 -0.556 1.00 0.00 C ATOM 973 CG LEU A 62 7.758 -4.578 -2.024 1.00 0.00 C ATOM 974 CD1 LEU A 62 8.362 -5.703 -2.865 1.00 0.00 C ATOM 975 CD2 LEU A 62 6.232 -4.602 -2.156 1.00 0.00 C ATOM 0 H LEU A 62 6.689 -4.389 1.384 1.00 0.00 H new ATOM 0 HA LEU A 62 7.320 -6.488 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.859 -3.680 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.317 -4.529 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 62 8.128 -3.632 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.987 -5.636 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.448 -5.610 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.083 -6.666 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.958 -4.595 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.840 -5.504 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.811 -3.724 -1.666 1.00 0.00 H new ATOM 987 N SER A 63 9.368 -6.208 2.189 1.00 0.00 N ATOM 988 CA SER A 63 10.444 -6.868 2.931 1.00 0.00 C ATOM 989 C SER A 63 10.200 -8.377 2.939 1.00 0.00 C ATOM 990 O SER A 63 10.970 -9.131 2.344 1.00 0.00 O ATOM 991 CB SER A 63 10.580 -6.272 4.349 1.00 0.00 C ATOM 992 OG SER A 63 11.755 -6.684 5.026 1.00 0.00 O ATOM 0 H SER A 63 8.922 -5.458 2.717 1.00 0.00 H new ATOM 0 HA SER A 63 11.399 -6.690 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.573 -5.184 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.710 -6.559 4.940 1.00 0.00 H new ATOM 0 HG SER A 63 11.782 -6.272 5.915 1.00 0.00 H new ATOM 998 N MET A 64 9.095 -8.808 3.551 1.00 0.00 N ATOM 999 CA MET A 64 8.724 -10.219 3.631 1.00 0.00 C ATOM 1000 C MET A 64 8.340 -10.798 2.280 1.00 0.00 C ATOM 1001 O MET A 64 8.445 -12.006 2.082 1.00 0.00 O ATOM 1002 CB MET A 64 7.549 -10.423 4.601 1.00 0.00 C ATOM 1003 CG MET A 64 6.280 -9.689 4.128 1.00 0.00 C ATOM 1004 SD MET A 64 4.885 -9.720 5.286 1.00 0.00 S ATOM 1005 CE MET A 64 5.526 -8.566 6.529 1.00 0.00 C ATOM 0 H MET A 64 8.430 -8.183 4.007 1.00 0.00 H new ATOM 0 HA MET A 64 9.608 -10.743 3.994 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.338 -11.488 4.697 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.829 -10.063 5.591 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.537 -8.650 3.923 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.957 -10.129 3.185 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.700 -8.180 7.127 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.232 -9.085 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.032 -7.739 6.031 1.00 0.00 H new ATOM 1015 N GLN A 65 7.881 -9.959 1.348 1.00 0.00 N ATOM 1016 CA GLN A 65 7.597 -10.431 0.013 1.00 0.00 C ATOM 1017 C GLN A 65 8.904 -10.846 -0.697 1.00 0.00 C ATOM 1018 O GLN A 65 8.847 -11.471 -1.754 1.00 0.00 O ATOM 1019 CB GLN A 65 6.826 -9.382 -0.810 1.00 0.00 C ATOM 1020 CG GLN A 65 5.494 -9.907 -1.361 1.00 0.00 C ATOM 1021 CD GLN A 65 5.637 -11.125 -2.270 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.213 -12.217 -1.909 1.00 0.00 O ATOM 1023 NE2 GLN A 65 6.207 -10.975 -3.452 1.00 0.00 N ATOM 0 H GLN A 65 7.704 -8.966 1.500 1.00 0.00 H new ATOM 0 HA GLN A 65 6.954 -11.307 0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.635 -8.509 -0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.450 -9.050 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.843 -10.164 -0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.001 -9.108 -1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.555 -10.060 -3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.299 -11.774 -4.079 1.00 0.00 H new ATOM 1032 N GLY A 66 10.073 -10.508 -0.139 1.00 0.00 N ATOM 1033 CA GLY A 66 11.402 -10.868 -0.611 1.00 0.00 C ATOM 1034 C GLY A 66 12.256 -9.660 -0.983 1.00 0.00 C ATOM 1035 O GLY A 66 13.215 -9.808 -1.739 1.00 0.00 O ATOM 0 H GLY A 66 10.111 -9.940 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.912 -11.441 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.308 -11.519 -1.480 1.00 0.00 H new ATOM 1039 N ALA A 67 11.929 -8.473 -0.477 1.00 0.00 N ATOM 1040 CA ALA A 67 12.601 -7.224 -0.818 1.00 0.00 C ATOM 1041 C ALA A 67 13.100 -6.574 0.461 1.00 0.00 C ATOM 1042 O ALA A 67 12.830 -5.403 0.720 1.00 0.00 O ATOM 1043 CB ALA A 67 11.662 -6.309 -1.608 1.00 0.00 C ATOM 0 H ALA A 67 11.173 -8.351 0.196 1.00 0.00 H new ATOM 0 HA ALA A 67 13.459 -7.419 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.179 -5.382 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.355 -6.808 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.781 -6.084 -1.006 1.00 0.00 H new ATOM 1049 N VAL A 68 13.805 -7.343 1.290 1.00 0.00 N ATOM 1050 CA VAL A 68 14.288 -6.929 2.606 1.00 0.00 C ATOM 1051 C VAL A 68 15.027 -5.584 2.570 1.00 0.00 C ATOM 1052 O VAL A 68 15.033 -4.841 3.553 1.00 0.00 O ATOM 1053 CB VAL A 68 15.148 -8.057 3.206 1.00 0.00 C ATOM 1054 CG1 VAL A 68 14.276 -9.280 3.540 1.00 0.00 C ATOM 1055 CG2 VAL A 68 16.302 -8.491 2.282 1.00 0.00 C ATOM 0 H VAL A 68 14.064 -8.302 1.056 1.00 0.00 H new ATOM 0 HA VAL A 68 13.428 -6.760 3.254 1.00 0.00 H new ATOM 0 HB VAL A 68 15.591 -7.652 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.900 -10.067 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.512 -8.995 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.798 -9.645 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.871 -9.288 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.896 -8.852 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.957 -7.640 2.094 1.00 0.00 H new ATOM 1065 N ASP A 69 15.618 -5.249 1.426 1.00 0.00 N ATOM 1066 CA ASP A 69 16.330 -4.013 1.157 1.00 0.00 C ATOM 1067 C ASP A 69 15.412 -2.824 1.346 1.00 0.00 C ATOM 1068 O ASP A 69 15.758 -1.915 2.097 1.00 0.00 O ATOM 1069 CB ASP A 69 16.872 -4.000 -0.283 1.00 0.00 C ATOM 1070 CG ASP A 69 17.534 -5.327 -0.619 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.698 -5.546 -0.215 1.00 0.00 O ATOM 1072 OD2 ASP A 69 16.811 -6.203 -1.147 1.00 0.00 O ATOM 0 H ASP A 69 15.609 -5.872 0.619 1.00 0.00 H new ATOM 0 HA ASP A 69 17.163 -3.948 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.058 -3.807 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.591 -3.189 -0.399 1.00 0.00 H new ATOM 1077 N ILE A 70 14.240 -2.826 0.700 1.00 0.00 N ATOM 1078 CA ILE A 70 13.355 -1.677 0.535 1.00 0.00 C ATOM 1079 C ILE A 70 12.541 -1.446 1.808 1.00 0.00 C ATOM 1080 O ILE A 70 11.449 -0.885 1.782 1.00 0.00 O ATOM 1081 CB ILE A 70 12.487 -1.878 -0.726 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.057 -0.523 -1.325 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.259 -2.766 -0.456 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.147 0.130 -2.176 1.00 0.00 C ATOM 0 H ILE A 70 13.870 -3.669 0.260 1.00 0.00 H new ATOM 0 HA ILE A 70 13.935 -0.767 0.382 1.00 0.00 H new ATOM 0 HB ILE A 70 13.108 -2.399 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.166 -0.669 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.782 0.154 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.681 -2.877 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.588 -3.747 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.637 -2.304 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.782 1.079 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.031 0.306 -1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.406 -0.529 -3.004 1.00 0.00 H new ATOM 1096 N ASN A 71 13.060 -1.918 2.929 1.00 0.00 N ATOM 1097 CA ASN A 71 12.640 -1.435 4.204 1.00 0.00 C ATOM 1098 C ASN A 71 13.359 -0.097 4.450 1.00 0.00 C ATOM 1099 O ASN A 71 12.736 0.955 4.350 1.00 0.00 O ATOM 1100 CB ASN A 71 12.853 -2.541 5.237 1.00 0.00 C ATOM 1101 CG ASN A 71 12.231 -2.145 6.566 1.00 0.00 C ATOM 1102 OD1 ASN A 71 12.356 -1.005 6.985 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.576 -3.053 7.266 1.00 0.00 N ATOM 0 H ASN A 71 13.778 -2.641 2.966 1.00 0.00 H new ATOM 0 HA ASN A 71 11.576 -1.207 4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.409 -3.471 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.919 -2.727 5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.168 -2.805 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.478 -4.002 6.905 1.00 0.00 H new ATOM 1110 N ARG A 72 14.681 -0.085 4.689 1.00 0.00 N ATOM 1111 CA ARG A 72 15.350 1.092 5.279 1.00 0.00 C ATOM 1112 C ARG A 72 15.378 2.325 4.381 1.00 0.00 C ATOM 1113 O ARG A 72 14.850 3.367 4.739 1.00 0.00 O ATOM 1114 CB ARG A 72 16.738 0.748 5.828 1.00 0.00 C ATOM 1115 CG ARG A 72 16.715 -0.157 7.076 1.00 0.00 C ATOM 1116 CD ARG A 72 15.416 -0.126 7.882 1.00 0.00 C ATOM 1117 NE ARG A 72 15.480 -0.875 9.144 1.00 0.00 N ATOM 1118 CZ ARG A 72 14.456 -1.077 9.983 1.00 0.00 C ATOM 1119 NH1 ARG A 72 13.203 -0.910 9.592 1.00 0.00 N ATOM 1120 NH2 ARG A 72 14.706 -1.453 11.230 1.00 0.00 N ATOM 0 H ARG A 72 15.304 -0.867 4.486 1.00 0.00 H new ATOM 0 HA ARG A 72 14.719 1.377 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.314 0.255 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.260 1.673 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.905 -1.184 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.536 0.134 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.159 0.911 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.611 -0.532 7.270 1.00 0.00 H new ATOM 0 HE ARG A 72 16.381 -1.275 9.403 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.002 -0.622 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.438 -1.070 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.669 -1.585 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.935 -1.610 11.879 1.00 0.00 H new ATOM 1134 N LEU A 73 15.917 2.192 3.173 1.00 0.00 N ATOM 1135 CA LEU A 73 15.870 3.201 2.113 1.00 0.00 C ATOM 1136 C LEU A 73 14.443 3.536 1.661 1.00 0.00 C ATOM 1137 O LEU A 73 14.268 4.342 0.745 1.00 0.00 O ATOM 1138 CB LEU A 73 16.738 2.791 0.903 1.00 0.00 C ATOM 1139 CG LEU A 73 16.479 1.379 0.338 1.00 0.00 C ATOM 1140 CD1 LEU A 73 16.873 1.273 -1.139 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.313 0.339 1.096 1.00 0.00 C ATOM 0 H LEU A 73 16.417 1.349 2.892 1.00 0.00 H new ATOM 0 HA LEU A 73 16.285 4.109 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.580 3.516 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.787 2.859 1.192 1.00 0.00 H new ATOM 0 HG LEU A 73 15.411 1.194 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.674 0.263 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.291 1.986 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.934 1.495 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.119 -0.652 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.372 0.575 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.041 0.354 2.152 1.00 0.00 H new ATOM 1153 N CYS A 74 13.413 2.915 2.241 1.00 0.00 N ATOM 1154 CA CYS A 74 12.043 3.289 2.033 1.00 0.00 C ATOM 1155 C CYS A 74 11.635 4.102 3.252 1.00 0.00 C ATOM 1156 O CYS A 74 11.128 5.186 3.028 1.00 0.00 O ATOM 1157 CB CYS A 74 11.226 2.033 1.773 1.00 0.00 C ATOM 1158 SG CYS A 74 10.004 2.254 0.451 1.00 0.00 S ATOM 0 H CYS A 74 13.527 2.126 2.877 1.00 0.00 H new ATOM 0 HA CYS A 74 11.874 3.914 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 74 11.897 1.216 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 74 10.714 1.741 2.690 1.00 0.00 H new ATOM 0 HG CYS A 74 9.494 1.101 0.134 1.00 0.00 H new ATOM 1164 N GLU A 75 11.921 3.692 4.497 1.00 0.00 N ATOM 1165 CA GLU A 75 11.675 4.506 5.700 1.00 0.00 C ATOM 1166 C GLU A 75 12.311 5.898 5.581 1.00 0.00 C ATOM 1167 O GLU A 75 11.826 6.853 6.178 1.00 0.00 O ATOM 1168 CB GLU A 75 12.173 3.817 6.986 1.00 0.00 C ATOM 1169 CG GLU A 75 11.577 2.421 7.219 1.00 0.00 C ATOM 1170 CD GLU A 75 11.274 2.137 8.699 1.00 0.00 C ATOM 1171 OE1 GLU A 75 12.221 1.916 9.492 1.00 0.00 O ATOM 1172 OE2 GLU A 75 10.077 2.096 9.064 1.00 0.00 O ATOM 0 H GLU A 75 12.332 2.781 4.700 1.00 0.00 H new ATOM 0 HA GLU A 75 10.593 4.617 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.259 3.735 6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.934 4.450 7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.658 2.323 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.271 1.668 6.845 1.00 0.00 H new ATOM 1179 N GLU A 76 13.357 6.043 4.770 1.00 0.00 N ATOM 1180 CA GLU A 76 13.845 7.336 4.306 1.00 0.00 C ATOM 1181 C GLU A 76 12.849 7.953 3.323 1.00 0.00 C ATOM 1182 O GLU A 76 12.184 8.918 3.677 1.00 0.00 O ATOM 1183 CB GLU A 76 15.271 7.203 3.764 1.00 0.00 C ATOM 1184 CG GLU A 76 15.806 8.593 3.400 1.00 0.00 C ATOM 1185 CD GLU A 76 17.331 8.638 3.380 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.943 8.873 4.444 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.952 8.523 2.297 1.00 0.00 O ATOM 0 H GLU A 76 13.895 5.254 4.413 1.00 0.00 H new ATOM 0 HA GLU A 76 13.912 8.036 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.914 6.737 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.280 6.556 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.423 8.883 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.432 9.323 4.118 1.00 0.00 H new ATOM 1194 N MET A 77 12.708 7.405 2.116 1.00 0.00 N ATOM 1195 CA MET A 77 11.848 7.927 1.051 1.00 0.00 C ATOM 1196 C MET A 77 10.427 8.254 1.499 1.00 0.00 C ATOM 1197 O MET A 77 9.907 9.249 1.027 1.00 0.00 O ATOM 1198 CB MET A 77 11.843 6.938 -0.119 1.00 0.00 C ATOM 1199 CG MET A 77 13.074 7.115 -1.013 1.00 0.00 C ATOM 1200 SD MET A 77 12.901 8.409 -2.267 1.00 0.00 S ATOM 1201 CE MET A 77 11.727 7.611 -3.403 1.00 0.00 C ATOM 0 H MET A 77 13.205 6.557 1.843 1.00 0.00 H new ATOM 0 HA MET A 77 12.270 8.882 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.816 5.919 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.939 7.079 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 77 13.935 7.346 -0.385 1.00 0.00 H new ATOM 0 HG3 MET A 77 13.287 6.169 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.730 8.137 -4.358 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.021 6.573 -3.560 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.726 7.644 -2.973 1.00 0.00 H new ATOM 1211 N LEU A 78 9.792 7.444 2.340 1.00 0.00 N ATOM 1212 CA LEU A 78 8.399 7.540 2.772 1.00 0.00 C ATOM 1213 C LEU A 78 8.254 8.723 3.728 1.00 0.00 C ATOM 1214 O LEU A 78 7.418 9.609 3.534 1.00 0.00 O ATOM 1215 CB LEU A 78 7.981 6.237 3.480 1.00 0.00 C ATOM 1216 CG LEU A 78 8.124 4.968 2.613 1.00 0.00 C ATOM 1217 CD1 LEU A 78 8.434 3.756 3.488 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.918 4.679 1.721 1.00 0.00 C ATOM 0 H LEU A 78 10.268 6.649 2.767 1.00 0.00 H new ATOM 0 HA LEU A 78 7.755 7.690 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.584 6.117 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.943 6.329 3.801 1.00 0.00 H new ATOM 0 HG LEU A 78 8.956 5.165 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.532 2.870 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.367 3.925 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.625 3.607 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.100 3.771 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.031 4.544 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.761 5.515 1.040 1.00 0.00 H new ATOM 1230 N ASP A 79 9.111 8.779 4.746 1.00 0.00 N ATOM 1231 CA ASP A 79 9.085 9.868 5.712 1.00 0.00 C ATOM 1232 C ASP A 79 9.532 11.161 5.042 1.00 0.00 C ATOM 1233 O ASP A 79 8.981 12.226 5.245 1.00 0.00 O ATOM 1234 CB ASP A 79 9.983 9.554 6.906 1.00 0.00 C ATOM 1235 CG ASP A 79 9.260 9.820 8.211 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.281 10.960 8.727 1.00 0.00 O ATOM 1237 OD2 ASP A 79 8.698 8.853 8.771 1.00 0.00 O ATOM 0 H ASP A 79 9.833 8.079 4.921 1.00 0.00 H new ATOM 0 HA ASP A 79 8.065 9.987 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.297 8.511 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.887 10.161 6.856 1.00 0.00 H new ATOM 1242 N ASN A 80 10.491 11.093 4.140 1.00 0.00 N ATOM 1243 CA ASN A 80 10.942 12.251 3.386 1.00 0.00 C ATOM 1244 C ASN A 80 9.972 12.592 2.243 1.00 0.00 C ATOM 1245 O ASN A 80 10.094 13.657 1.639 1.00 0.00 O ATOM 1246 CB ASN A 80 12.321 11.849 2.875 1.00 0.00 C ATOM 1247 CG ASN A 80 13.213 12.885 2.198 1.00 0.00 C ATOM 1248 OD1 ASN A 80 14.346 12.563 1.849 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.791 14.115 1.972 1.00 0.00 N ATOM 0 H ASN A 80 10.983 10.230 3.907 1.00 0.00 H new ATOM 0 HA ASN A 80 10.982 13.157 3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.876 11.446 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.180 11.031 2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.404 14.788 1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.852 14.393 2.258 1.00 0.00 H new ATOM 1256 N ARG A 81 9.013 11.721 1.917 1.00 0.00 N ATOM 1257 CA ARG A 81 7.994 11.990 0.909 1.00 0.00 C ATOM 1258 C ARG A 81 7.061 13.049 1.454 1.00 0.00 C ATOM 1259 O ARG A 81 6.785 14.024 0.766 1.00 0.00 O ATOM 1260 CB ARG A 81 7.191 10.722 0.550 1.00 0.00 C ATOM 1261 CG ARG A 81 7.235 10.392 -0.945 1.00 0.00 C ATOM 1262 CD ARG A 81 7.610 8.926 -1.168 1.00 0.00 C ATOM 1263 NE ARG A 81 7.480 8.608 -2.593 1.00 0.00 N ATOM 1264 CZ ARG A 81 7.193 7.414 -3.111 1.00 0.00 C ATOM 1265 NH1 ARG A 81 7.480 6.280 -2.478 1.00 0.00 N ATOM 1266 NH2 ARG A 81 6.621 7.349 -4.301 1.00 0.00 N ATOM 0 H ARG A 81 8.925 10.802 2.351 1.00 0.00 H new ATOM 0 HA ARG A 81 8.483 12.331 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.584 9.877 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.154 10.856 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.264 10.596 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.959 11.037 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.632 8.744 -0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.962 8.278 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 81 7.623 9.374 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.935 6.306 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.245 5.384 -2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.405 8.206 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.396 6.442 -4.710 1.00 0.00 H new ATOM 1280 N ALA A 82 6.547 12.817 2.661 1.00 0.00 N ATOM 1281 CA ALA A 82 5.482 13.605 3.265 1.00 0.00 C ATOM 1282 C ALA A 82 5.425 13.440 4.785 1.00 0.00 C ATOM 1283 O ALA A 82 4.473 13.919 5.392 1.00 0.00 O ATOM 1284 CB ALA A 82 4.145 13.158 2.661 1.00 0.00 C ATOM 0 H ALA A 82 6.870 12.056 3.258 1.00 0.00 H new ATOM 0 HA ALA A 82 5.681 14.657 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.334 13.738 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.161 13.318 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.988 12.099 2.868 1.00 0.00 H new ATOM 1290 N THR A 83 6.386 12.732 5.387 1.00 0.00 N ATOM 1291 CA THR A 83 6.408 12.361 6.807 1.00 0.00 C ATOM 1292 C THR A 83 5.153 11.564 7.188 1.00 0.00 C ATOM 1293 O THR A 83 4.645 11.704 8.301 1.00 0.00 O ATOM 1294 CB THR A 83 6.751 13.578 7.703 1.00 0.00 C ATOM 1295 OG1 THR A 83 5.641 14.422 7.933 1.00 0.00 O ATOM 1296 CG2 THR A 83 7.885 14.434 7.121 1.00 0.00 C ATOM 0 H THR A 83 7.201 12.388 4.880 1.00 0.00 H new ATOM 0 HA THR A 83 7.227 11.666 6.996 1.00 0.00 H new ATOM 0 HB THR A 83 7.070 13.139 8.648 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.048 14.403 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.086 15.273 7.787 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.785 13.827 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.591 14.811 6.141 1.00 0.00 H new ATOM 1304 N LEU A 84 4.594 10.804 6.231 1.00 0.00 N ATOM 1305 CA LEU A 84 3.246 10.235 6.373 1.00 0.00 C ATOM 1306 C LEU A 84 2.969 9.065 5.436 1.00 0.00 C ATOM 1307 O LEU A 84 2.078 8.254 5.713 1.00 0.00 O ATOM 1308 CB LEU A 84 2.217 11.345 6.069 1.00 0.00 C ATOM 1309 CG LEU A 84 1.002 11.384 7.005 1.00 0.00 C ATOM 1310 CD1 LEU A 84 1.356 11.631 8.479 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.074 12.520 6.571 1.00 0.00 C ATOM 0 H LEU A 84 5.056 10.571 5.352 1.00 0.00 H new ATOM 0 HA LEU A 84 3.169 9.855 7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.723 12.310 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.863 11.220 5.046 1.00 0.00 H new ATOM 0 HG LEU A 84 0.537 10.401 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.443 11.644 9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.010 10.835 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.866 12.589 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.792 12.554 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.609 13.468 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.257 12.348 5.547 1.00 0.00 H new ATOM 1323 N GLN A 85 3.682 9.055 4.311 1.00 0.00 N ATOM 1324 CA GLN A 85 3.611 8.075 3.242 1.00 0.00 C ATOM 1325 C GLN A 85 4.107 6.693 3.690 1.00 0.00 C ATOM 1326 O GLN A 85 4.528 6.526 4.860 1.00 0.00 O ATOM 1327 CB GLN A 85 4.359 8.663 2.030 1.00 0.00 C ATOM 1328 CG GLN A 85 4.204 7.814 0.762 1.00 0.00 C ATOM 1329 CD GLN A 85 4.076 8.563 -0.565 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.570 8.112 -1.592 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.399 9.697 -0.613 1.00 0.00 N ATOM 0 H GLN A 85 4.369 9.783 4.114 1.00 0.00 H new ATOM 0 HA GLN A 85 2.578 7.887 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.989 9.669 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.418 8.754 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.064 7.148 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.322 7.184 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.984 10.080 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.291 10.189 -1.500 1.00 0.00 H new TER 1340 GLN A 85