USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 716 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 70 SER OG : rot -61:sc= 0.858 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.685 X(o=0.17,f=0.53) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 1.21 USER MOD Single : A 3 SER OG : rot 61:sc= 0.857 USER MOD Single : A 5 SER OG : rot 35:sc= 0.633 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -125:sc= -1.06 (180deg=-2.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 42:sc= 0.0628 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.62 F(o=-5,f=-2.6) USER MOD Single : A 25 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0152 (180deg=-0.208) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00887 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -34:sc= 0.819 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0487 (180deg=-0.323) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00219) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 69 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.93) USER MOD Single : A 72 MET CE :methyl -119:sc= -2.42! (180deg=-3.79) USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0103) USER MOD Single : A 78 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.5) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0172 K(o=-0.017,f=-2.1!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= -0.582 (180deg=-1.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.341 -0.059 -18.839 1.00 0.00 N ATOM 2 CA GLY A 1 -11.284 -1.477 -18.536 1.00 0.00 C ATOM 3 C GLY A 1 -12.653 -2.066 -18.261 1.00 0.00 C ATOM 4 O GLY A 1 -13.274 -2.650 -19.149 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.380 0.296 -19.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.930 0.092 -19.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.753 0.452 -18.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.825 -2.006 -19.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.643 -1.635 -17.669 1.00 0.00 H new ATOM 8 N SER A 2 -13.123 -1.916 -17.027 1.00 0.00 N ATOM 9 CA SER A 2 -14.425 -2.443 -16.636 1.00 0.00 C ATOM 10 C SER A 2 -14.882 -1.837 -15.312 1.00 0.00 C ATOM 11 O SER A 2 -14.127 -1.124 -14.650 1.00 0.00 O ATOM 12 CB SER A 2 -14.368 -3.968 -16.518 1.00 0.00 C ATOM 13 OG SER A 2 -14.586 -4.585 -17.775 1.00 0.00 O ATOM 0 H SER A 2 -12.622 -1.434 -16.281 1.00 0.00 H new ATOM 0 HA SER A 2 -15.145 -2.172 -17.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.397 -4.269 -16.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.120 -4.309 -15.806 1.00 0.00 H new ATOM 0 HG SER A 2 -14.181 -4.040 -18.482 1.00 0.00 H new ATOM 19 N SER A 3 -16.123 -2.125 -14.933 1.00 0.00 N ATOM 20 CA SER A 3 -16.683 -1.606 -13.691 1.00 0.00 C ATOM 21 C SER A 3 -16.444 -2.578 -12.539 1.00 0.00 C ATOM 22 O SER A 3 -17.382 -3.005 -11.868 1.00 0.00 O ATOM 23 CB SER A 3 -18.182 -1.347 -13.851 1.00 0.00 C ATOM 24 OG SER A 3 -18.907 -2.563 -13.905 1.00 0.00 O ATOM 0 H SER A 3 -16.760 -2.715 -15.468 1.00 0.00 H new ATOM 0 HA SER A 3 -16.182 -0.666 -13.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.541 -0.743 -13.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.360 -0.773 -14.761 1.00 0.00 H new ATOM 0 HG SER A 3 -18.776 -3.059 -13.070 1.00 0.00 H new ATOM 30 N GLY A 4 -15.179 -2.923 -12.316 1.00 0.00 N ATOM 31 CA GLY A 4 -14.838 -3.841 -11.246 1.00 0.00 C ATOM 32 C GLY A 4 -13.351 -3.862 -10.951 1.00 0.00 C ATOM 33 O GLY A 4 -12.543 -3.424 -11.770 1.00 0.00 O ATOM 0 H GLY A 4 -14.385 -2.583 -12.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.380 -3.559 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.166 -4.845 -11.515 1.00 0.00 H new ATOM 37 N SER A 5 -12.989 -4.371 -9.778 1.00 0.00 N ATOM 38 CA SER A 5 -11.589 -4.441 -9.375 1.00 0.00 C ATOM 39 C SER A 5 -10.939 -5.720 -9.893 1.00 0.00 C ATOM 40 O SER A 5 -11.163 -6.806 -9.357 1.00 0.00 O ATOM 41 CB SER A 5 -11.472 -4.378 -7.851 1.00 0.00 C ATOM 42 OG SER A 5 -12.212 -5.419 -7.238 1.00 0.00 O ATOM 0 H SER A 5 -13.645 -4.741 -9.090 1.00 0.00 H new ATOM 0 HA SER A 5 -11.068 -3.587 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.424 -4.453 -7.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.833 -3.413 -7.495 1.00 0.00 H new ATOM 0 HG SER A 5 -12.171 -6.223 -7.797 1.00 0.00 H new ATOM 48 N SER A 6 -10.131 -5.583 -10.940 1.00 0.00 N ATOM 49 CA SER A 6 -9.450 -6.727 -11.535 1.00 0.00 C ATOM 50 C SER A 6 -9.040 -7.733 -10.464 1.00 0.00 C ATOM 51 O SER A 6 -9.356 -8.918 -10.556 1.00 0.00 O ATOM 52 CB SER A 6 -8.217 -6.265 -12.315 1.00 0.00 C ATOM 53 OG SER A 6 -7.745 -7.287 -13.175 1.00 0.00 O ATOM 0 H SER A 6 -9.932 -4.691 -11.393 1.00 0.00 H new ATOM 0 HA SER A 6 -10.143 -7.214 -12.220 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.464 -5.379 -12.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.429 -5.978 -11.619 1.00 0.00 H new ATOM 0 HG SER A 6 -6.958 -6.966 -13.663 1.00 0.00 H new ATOM 59 N GLY A 7 -8.334 -7.249 -9.446 1.00 0.00 N ATOM 60 CA GLY A 7 -7.892 -8.118 -8.371 1.00 0.00 C ATOM 61 C GLY A 7 -6.769 -7.507 -7.556 1.00 0.00 C ATOM 62 O GLY A 7 -6.815 -7.509 -6.326 1.00 0.00 O ATOM 0 H GLY A 7 -8.061 -6.271 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.735 -8.337 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.558 -9.067 -8.789 1.00 0.00 H new ATOM 66 N ILE A 8 -5.759 -6.984 -8.243 1.00 0.00 N ATOM 67 CA ILE A 8 -4.620 -6.368 -7.574 1.00 0.00 C ATOM 68 C ILE A 8 -4.836 -4.870 -7.387 1.00 0.00 C ATOM 69 O ILE A 8 -5.052 -4.137 -8.353 1.00 0.00 O ATOM 70 CB ILE A 8 -3.315 -6.592 -8.362 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.138 -8.077 -8.686 1.00 0.00 C ATOM 72 CG2 ILE A 8 -2.124 -6.070 -7.574 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.842 -8.929 -7.472 1.00 0.00 C ATOM 0 H ILE A 8 -5.706 -6.975 -9.262 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.532 -6.845 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.375 -6.040 -9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.044 -8.446 -9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.327 -8.189 -9.405 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.210 -6.236 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.249 -5.003 -7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.058 -6.597 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.729 -9.969 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.920 -8.586 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.664 -8.847 -6.761 1.00 0.00 H new ATOM 85 N LYS A 9 -4.777 -4.421 -6.138 1.00 0.00 N ATOM 86 CA LYS A 9 -4.963 -3.009 -5.823 1.00 0.00 C ATOM 87 C LYS A 9 -3.677 -2.224 -6.060 1.00 0.00 C ATOM 88 O LYS A 9 -2.905 -1.983 -5.132 1.00 0.00 O ATOM 89 CB LYS A 9 -5.413 -2.846 -4.369 1.00 0.00 C ATOM 90 CG LYS A 9 -6.854 -3.260 -4.127 1.00 0.00 C ATOM 91 CD LYS A 9 -7.813 -2.105 -4.361 1.00 0.00 C ATOM 92 CE LYS A 9 -9.076 -2.253 -3.527 1.00 0.00 C ATOM 93 NZ LYS A 9 -8.903 -1.700 -2.155 1.00 0.00 N ATOM 0 H LYS A 9 -4.602 -5.014 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.735 -2.613 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.761 -3.439 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.289 -1.804 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.112 -4.088 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.962 -3.623 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.320 -1.165 -4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.077 -2.058 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.901 -1.742 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.347 -3.307 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.786 -1.820 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.133 -2.205 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.669 -0.688 -2.215 1.00 0.00 H new ATOM 107 N LYS A 10 -3.454 -1.826 -7.308 1.00 0.00 N ATOM 108 CA LYS A 10 -2.263 -1.066 -7.667 1.00 0.00 C ATOM 109 C LYS A 10 -2.049 0.098 -6.704 1.00 0.00 C ATOM 110 O LYS A 10 -2.997 0.727 -6.233 1.00 0.00 O ATOM 111 CB LYS A 10 -2.382 -0.541 -9.100 1.00 0.00 C ATOM 112 CG LYS A 10 -3.548 0.411 -9.304 1.00 0.00 C ATOM 113 CD LYS A 10 -4.827 -0.338 -9.638 1.00 0.00 C ATOM 114 CE LYS A 10 -5.752 0.498 -10.509 1.00 0.00 C ATOM 115 NZ LYS A 10 -7.153 -0.006 -10.474 1.00 0.00 N ATOM 0 H LYS A 10 -4.083 -2.017 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.403 -1.732 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.457 -0.032 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.491 -1.386 -9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.697 1.004 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.313 1.109 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.582 -1.267 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.341 -0.611 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.730 1.534 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.389 0.490 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.752 0.590 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.178 -0.986 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.509 0.026 -9.497 1.00 0.00 H new ATOM 129 N PRO A 11 -0.776 0.392 -6.404 1.00 0.00 N ATOM 130 CA PRO A 11 -0.408 1.483 -5.496 1.00 0.00 C ATOM 131 C PRO A 11 -0.687 2.856 -6.097 1.00 0.00 C ATOM 132 O PRO A 11 -0.323 3.129 -7.241 1.00 0.00 O ATOM 133 CB PRO A 11 1.096 1.284 -5.293 1.00 0.00 C ATOM 134 CG PRO A 11 1.551 0.563 -6.515 1.00 0.00 C ATOM 135 CD PRO A 11 0.404 -0.316 -6.929 1.00 0.00 C ATOM 0 HA PRO A 11 -0.984 1.455 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.610 2.239 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.301 0.705 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.811 1.264 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.442 -0.030 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.355 -0.430 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.492 -1.317 -6.507 1.00 0.00 H new ATOM 143 N MET A 12 -1.335 3.717 -5.319 1.00 0.00 N ATOM 144 CA MET A 12 -1.660 5.064 -5.775 1.00 0.00 C ATOM 145 C MET A 12 -0.393 5.853 -6.087 1.00 0.00 C ATOM 146 O MET A 12 0.365 6.210 -5.185 1.00 0.00 O ATOM 147 CB MET A 12 -2.486 5.798 -4.717 1.00 0.00 C ATOM 148 CG MET A 12 -1.836 5.814 -3.343 1.00 0.00 C ATOM 149 SD MET A 12 -2.962 6.366 -2.048 1.00 0.00 S ATOM 150 CE MET A 12 -3.304 8.040 -2.588 1.00 0.00 C ATOM 0 H MET A 12 -1.645 3.506 -4.370 1.00 0.00 H new ATOM 0 HA MET A 12 -2.247 4.980 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.651 6.825 -5.044 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.466 5.327 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.476 4.813 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.965 6.469 -3.365 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.072 8.737 -1.782 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.690 8.274 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.358 8.129 -2.853 1.00 0.00 H new ATOM 160 N SER A 13 -0.170 6.123 -7.369 1.00 0.00 N ATOM 161 CA SER A 13 1.008 6.867 -7.800 1.00 0.00 C ATOM 162 C SER A 13 1.128 8.183 -7.037 1.00 0.00 C ATOM 163 O SER A 13 0.282 8.511 -6.206 1.00 0.00 O ATOM 164 CB SER A 13 0.942 7.140 -9.304 1.00 0.00 C ATOM 165 OG SER A 13 1.250 5.974 -10.048 1.00 0.00 O ATOM 0 H SER A 13 -0.789 5.838 -8.127 1.00 0.00 H new ATOM 0 HA SER A 13 1.889 6.262 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.055 7.492 -9.569 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.640 7.936 -9.563 1.00 0.00 H new ATOM 0 HG SER A 13 1.199 6.174 -11.006 1.00 0.00 H new ATOM 171 N ALA A 14 2.187 8.932 -7.326 1.00 0.00 N ATOM 172 CA ALA A 14 2.418 10.213 -6.670 1.00 0.00 C ATOM 173 C ALA A 14 1.424 11.264 -7.151 1.00 0.00 C ATOM 174 O ALA A 14 1.351 12.362 -6.599 1.00 0.00 O ATOM 175 CB ALA A 14 3.845 10.682 -6.915 1.00 0.00 C ATOM 0 H ALA A 14 2.898 8.674 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 14 2.271 10.076 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.003 11.640 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.543 9.947 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.012 10.796 -7.986 1.00 0.00 H new ATOM 181 N SER A 15 0.659 10.920 -8.182 1.00 0.00 N ATOM 182 CA SER A 15 -0.329 11.836 -8.740 1.00 0.00 C ATOM 183 C SER A 15 -1.597 11.850 -7.893 1.00 0.00 C ATOM 184 O SER A 15 -2.387 12.792 -7.952 1.00 0.00 O ATOM 185 CB SER A 15 -0.667 11.440 -10.179 1.00 0.00 C ATOM 186 OG SER A 15 -0.606 10.035 -10.349 1.00 0.00 O ATOM 0 H SER A 15 0.704 10.014 -8.648 1.00 0.00 H new ATOM 0 HA SER A 15 0.099 12.838 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.665 11.797 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.029 11.923 -10.865 1.00 0.00 H new ATOM 0 HG SER A 15 -1.014 9.594 -9.575 1.00 0.00 H new ATOM 192 N ALA A 16 -1.785 10.797 -7.104 1.00 0.00 N ATOM 193 CA ALA A 16 -2.956 10.687 -6.242 1.00 0.00 C ATOM 194 C ALA A 16 -2.694 11.316 -4.878 1.00 0.00 C ATOM 195 O ALA A 16 -3.583 11.928 -4.284 1.00 0.00 O ATOM 196 CB ALA A 16 -3.360 9.229 -6.084 1.00 0.00 C ATOM 0 H ALA A 16 -1.141 10.008 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.775 11.231 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.235 9.162 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.597 8.809 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.537 8.670 -5.639 1.00 0.00 H new ATOM 202 N LEU A 17 -1.470 11.162 -4.386 1.00 0.00 N ATOM 203 CA LEU A 17 -1.091 11.715 -3.090 1.00 0.00 C ATOM 204 C LEU A 17 -1.325 13.222 -3.051 1.00 0.00 C ATOM 205 O LEU A 17 -2.095 13.719 -2.229 1.00 0.00 O ATOM 206 CB LEU A 17 0.378 11.408 -2.792 1.00 0.00 C ATOM 207 CG LEU A 17 0.673 10.015 -2.234 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.068 9.798 -0.924 1.00 0.00 C ATOM 209 CD2 LEU A 17 0.296 8.944 -3.246 1.00 0.00 C ATOM 0 H LEU A 17 -0.723 10.659 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.715 11.249 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.949 11.538 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.746 12.148 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 17 1.743 9.941 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.154 8.802 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.251 10.545 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.141 9.891 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.513 7.959 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.768 9.016 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.872 9.088 -4.160 1.00 0.00 H new ATOM 221 N PHE A 18 -0.658 13.942 -3.946 1.00 0.00 N ATOM 222 CA PHE A 18 -0.795 15.393 -4.015 1.00 0.00 C ATOM 223 C PHE A 18 -2.265 15.798 -4.076 1.00 0.00 C ATOM 224 O PHE A 18 -2.674 16.785 -3.464 1.00 0.00 O ATOM 225 CB PHE A 18 -0.052 15.939 -5.236 1.00 0.00 C ATOM 226 CG PHE A 18 -0.173 17.427 -5.395 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.306 17.987 -5.962 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.848 18.267 -4.978 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.421 19.357 -6.109 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.739 19.637 -5.123 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.396 20.182 -5.690 1.00 0.00 C ATOM 0 H PHE A 18 -0.017 13.545 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.357 15.818 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.003 15.675 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.437 15.453 -6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.109 17.346 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.738 17.846 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.311 19.781 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.541 20.281 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.482 21.252 -5.806 1.00 0.00 H new ATOM 241 N VAL A 19 -3.054 15.030 -4.820 1.00 0.00 N ATOM 242 CA VAL A 19 -4.478 15.307 -4.962 1.00 0.00 C ATOM 243 C VAL A 19 -5.207 15.132 -3.634 1.00 0.00 C ATOM 244 O VAL A 19 -5.886 16.044 -3.163 1.00 0.00 O ATOM 245 CB VAL A 19 -5.127 14.391 -6.016 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.632 14.607 -6.059 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.506 14.630 -7.384 1.00 0.00 C ATOM 0 H VAL A 19 -2.731 14.210 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.567 16.343 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.942 13.354 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.072 13.951 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.060 14.380 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.843 15.645 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.976 13.974 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.658 15.669 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.438 14.418 -7.341 1.00 0.00 H new ATOM 257 N GLN A 20 -5.061 13.954 -3.036 1.00 0.00 N ATOM 258 CA GLN A 20 -5.706 13.659 -1.762 1.00 0.00 C ATOM 259 C GLN A 20 -5.267 14.649 -0.688 1.00 0.00 C ATOM 260 O GLN A 20 -5.870 14.725 0.383 1.00 0.00 O ATOM 261 CB GLN A 20 -5.381 12.231 -1.320 1.00 0.00 C ATOM 262 CG GLN A 20 -6.160 11.781 -0.095 1.00 0.00 C ATOM 263 CD GLN A 20 -5.804 10.373 0.338 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.655 9.482 0.357 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.541 10.163 0.690 1.00 0.00 N ATOM 0 H GLN A 20 -4.502 13.189 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.783 13.753 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.589 11.548 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.314 12.159 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.966 12.470 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.228 11.832 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.869 10.930 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.243 9.235 0.991 1.00 0.00 H new ATOM 274 N ASP A 21 -4.215 15.404 -0.981 1.00 0.00 N ATOM 275 CA ASP A 21 -3.695 16.390 -0.040 1.00 0.00 C ATOM 276 C ASP A 21 -4.464 17.703 -0.149 1.00 0.00 C ATOM 277 O ASP A 21 -4.965 18.226 0.847 1.00 0.00 O ATOM 278 CB ASP A 21 -2.207 16.634 -0.294 1.00 0.00 C ATOM 279 CG ASP A 21 -1.324 15.641 0.437 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.012 15.886 1.621 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.946 14.620 -0.175 1.00 0.00 O ATOM 0 H ASP A 21 -3.705 15.353 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.824 15.997 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.009 16.572 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.949 17.645 0.020 1.00 0.00 H new ATOM 286 N HIS A 22 -4.554 18.231 -1.366 1.00 0.00 N ATOM 287 CA HIS A 22 -5.262 19.484 -1.605 1.00 0.00 C ATOM 288 C HIS A 22 -6.652 19.222 -2.178 1.00 0.00 C ATOM 289 O HIS A 22 -7.336 20.145 -2.618 1.00 0.00 O ATOM 290 CB HIS A 22 -4.463 20.371 -2.560 1.00 0.00 C ATOM 291 CG HIS A 22 -2.990 20.370 -2.288 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.289 19.941 -1.213 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.059 20.854 -3.183 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -0.961 20.170 -1.476 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -0.849 20.722 -2.671 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.146 17.811 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.373 19.998 -0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.635 20.037 -3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.836 21.393 -2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.284 21.275 -4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.141 19.937 -0.813 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.023 20.999 -3.121 1.00 0.00 H new ATOM 304 N ARG A 23 -7.061 17.957 -2.169 1.00 0.00 N ATOM 305 CA ARG A 23 -8.368 17.574 -2.689 1.00 0.00 C ATOM 306 C ARG A 23 -9.487 18.203 -1.864 1.00 0.00 C ATOM 307 O ARG A 23 -10.311 18.966 -2.370 1.00 0.00 O ATOM 308 CB ARG A 23 -8.514 16.051 -2.688 1.00 0.00 C ATOM 309 CG ARG A 23 -9.936 15.576 -2.435 1.00 0.00 C ATOM 310 CD ARG A 23 -10.015 14.058 -2.390 1.00 0.00 C ATOM 311 NE ARG A 23 -9.491 13.446 -3.608 1.00 0.00 N ATOM 312 CZ ARG A 23 -9.748 12.195 -3.972 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.520 11.426 -3.215 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.234 11.709 -5.094 1.00 0.00 N ATOM 0 H ARG A 23 -6.506 17.181 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.445 17.939 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.175 15.661 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.859 15.632 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.297 15.989 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.592 15.953 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.455 13.691 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.052 13.753 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.895 14.011 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.918 11.795 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.716 10.465 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.640 12.296 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.433 10.748 -5.372 1.00 0.00 H new ATOM 328 N PRO A 24 -9.519 17.878 -0.564 1.00 0.00 N ATOM 329 CA PRO A 24 -10.532 18.400 0.359 1.00 0.00 C ATOM 330 C PRO A 24 -10.352 19.888 0.635 1.00 0.00 C ATOM 331 O PRO A 24 -11.324 20.641 0.685 1.00 0.00 O ATOM 332 CB PRO A 24 -10.303 17.587 1.635 1.00 0.00 C ATOM 333 CG PRO A 24 -8.874 17.170 1.567 1.00 0.00 C ATOM 334 CD PRO A 24 -8.569 16.975 0.107 1.00 0.00 C ATOM 0 HA PRO A 24 -11.540 18.306 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.499 18.184 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.966 16.723 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.225 17.929 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.709 16.249 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.536 17.234 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.715 15.939 -0.199 1.00 0.00 H new ATOM 342 N GLN A 25 -9.103 20.305 0.813 1.00 0.00 N ATOM 343 CA GLN A 25 -8.796 21.705 1.085 1.00 0.00 C ATOM 344 C GLN A 25 -9.494 22.619 0.084 1.00 0.00 C ATOM 345 O GLN A 25 -10.136 23.599 0.464 1.00 0.00 O ATOM 346 CB GLN A 25 -7.285 21.937 1.038 1.00 0.00 C ATOM 347 CG GLN A 25 -6.592 21.701 2.371 1.00 0.00 C ATOM 348 CD GLN A 25 -7.227 22.480 3.505 1.00 0.00 C ATOM 349 OE1 GLN A 25 -7.614 21.910 4.525 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.337 23.792 3.333 1.00 0.00 N ATOM 0 H GLN A 25 -8.287 19.694 0.774 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.161 21.943 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.848 21.277 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.093 22.960 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.619 20.637 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.542 21.982 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.003 24.223 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.756 24.369 4.063 1.00 0.00 H new ATOM 359 N PHE A 26 -9.364 22.293 -1.198 1.00 0.00 N ATOM 360 CA PHE A 26 -9.981 23.086 -2.255 1.00 0.00 C ATOM 361 C PHE A 26 -11.461 23.320 -1.966 1.00 0.00 C ATOM 362 O PHE A 26 -11.940 24.455 -1.996 1.00 0.00 O ATOM 363 CB PHE A 26 -9.818 22.388 -3.607 1.00 0.00 C ATOM 364 CG PHE A 26 -9.760 23.338 -4.769 1.00 0.00 C ATOM 365 CD1 PHE A 26 -8.782 24.317 -4.832 1.00 0.00 C ATOM 366 CD2 PHE A 26 -10.683 23.251 -5.798 1.00 0.00 C ATOM 367 CE1 PHE A 26 -8.726 25.193 -5.900 1.00 0.00 C ATOM 368 CE2 PHE A 26 -10.631 24.123 -6.869 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.652 25.096 -6.919 1.00 0.00 C ATOM 0 H PHE A 26 -8.837 21.485 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.478 24.053 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.907 21.790 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.649 21.698 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.055 24.397 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.452 22.493 -5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.959 25.952 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.355 24.044 -7.666 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.611 25.780 -7.754 1.00 0.00 H new ATOM 379 N LEU A 27 -12.181 22.239 -1.686 1.00 0.00 N ATOM 380 CA LEU A 27 -13.607 22.325 -1.392 1.00 0.00 C ATOM 381 C LEU A 27 -13.857 23.176 -0.151 1.00 0.00 C ATOM 382 O LEU A 27 -14.671 24.100 -0.173 1.00 0.00 O ATOM 383 CB LEU A 27 -14.192 20.926 -1.191 1.00 0.00 C ATOM 384 CG LEU A 27 -14.584 20.173 -2.463 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.690 20.912 -3.200 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.374 19.984 -3.366 1.00 0.00 C ATOM 0 H LEU A 27 -11.801 21.293 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.099 22.800 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.464 20.324 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.074 21.011 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.958 19.189 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.956 20.362 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.564 20.996 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.343 21.909 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.672 19.446 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.970 20.958 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.611 19.412 -2.838 1.00 0.00 H new ATOM 398 N ILE A 28 -13.150 22.859 0.929 1.00 0.00 N ATOM 399 CA ILE A 28 -13.293 23.597 2.178 1.00 0.00 C ATOM 400 C ILE A 28 -13.477 25.088 1.918 1.00 0.00 C ATOM 401 O ILE A 28 -14.499 25.669 2.280 1.00 0.00 O ATOM 402 CB ILE A 28 -12.072 23.394 3.095 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.993 21.939 3.560 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.144 24.335 4.288 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.663 21.575 4.182 1.00 0.00 C ATOM 0 H ILE A 28 -12.473 22.097 0.964 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.180 23.205 2.676 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.169 23.624 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.786 21.754 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.179 21.283 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.275 24.180 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.157 25.367 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.052 24.133 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.679 20.529 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.867 21.728 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.484 22.205 5.053 1.00 0.00 H new ATOM 417 N GLU A 29 -12.480 25.701 1.286 1.00 0.00 N ATOM 418 CA GLU A 29 -12.534 27.125 0.976 1.00 0.00 C ATOM 419 C GLU A 29 -13.530 27.400 -0.146 1.00 0.00 C ATOM 420 O GLU A 29 -14.324 28.337 -0.069 1.00 0.00 O ATOM 421 CB GLU A 29 -11.147 27.635 0.579 1.00 0.00 C ATOM 422 CG GLU A 29 -10.267 27.991 1.765 1.00 0.00 C ATOM 423 CD GLU A 29 -10.515 29.398 2.275 1.00 0.00 C ATOM 424 OE1 GLU A 29 -11.684 29.836 2.258 1.00 0.00 O ATOM 425 OE2 GLU A 29 -9.541 30.060 2.689 1.00 0.00 O ATOM 0 H GLU A 29 -11.627 25.234 0.979 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.866 27.654 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.646 26.873 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.260 28.514 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.445 27.280 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.220 27.892 1.478 1.00 0.00 H new ATOM 432 N ASN A 30 -13.480 26.578 -1.189 1.00 0.00 N ATOM 433 CA ASN A 30 -14.377 26.733 -2.328 1.00 0.00 C ATOM 434 C ASN A 30 -15.374 25.580 -2.397 1.00 0.00 C ATOM 435 O ASN A 30 -15.206 24.627 -3.159 1.00 0.00 O ATOM 436 CB ASN A 30 -13.575 26.807 -3.629 1.00 0.00 C ATOM 437 CG ASN A 30 -12.417 27.783 -3.539 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.572 28.974 -3.812 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.249 27.282 -3.156 1.00 0.00 N ATOM 0 H ASN A 30 -12.828 25.798 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.932 27.662 -2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.193 25.816 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.235 27.105 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.434 27.890 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.166 26.289 -2.940 1.00 0.00 H new ATOM 446 N PRO A 31 -16.437 25.667 -1.584 1.00 0.00 N ATOM 447 CA PRO A 31 -17.482 24.640 -1.535 1.00 0.00 C ATOM 448 C PRO A 31 -18.330 24.616 -2.802 1.00 0.00 C ATOM 449 O PRO A 31 -18.753 23.553 -3.258 1.00 0.00 O ATOM 450 CB PRO A 31 -18.331 25.056 -0.331 1.00 0.00 C ATOM 451 CG PRO A 31 -18.114 26.524 -0.203 1.00 0.00 C ATOM 452 CD PRO A 31 -16.700 26.774 -0.650 1.00 0.00 C ATOM 0 HA PRO A 31 -17.065 23.636 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.384 24.824 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.022 24.530 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.822 27.078 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.262 26.852 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.598 27.744 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.005 26.765 0.190 1.00 0.00 H new ATOM 460 N LYS A 32 -18.576 25.793 -3.367 1.00 0.00 N ATOM 461 CA LYS A 32 -19.372 25.907 -4.583 1.00 0.00 C ATOM 462 C LYS A 32 -18.858 24.959 -5.661 1.00 0.00 C ATOM 463 O LYS A 32 -19.640 24.311 -6.358 1.00 0.00 O ATOM 464 CB LYS A 32 -19.346 27.347 -5.100 1.00 0.00 C ATOM 465 CG LYS A 32 -20.423 28.231 -4.495 1.00 0.00 C ATOM 466 CD LYS A 32 -20.073 28.643 -3.075 1.00 0.00 C ATOM 467 CE LYS A 32 -19.045 29.763 -3.057 1.00 0.00 C ATOM 468 NZ LYS A 32 -19.624 31.055 -3.519 1.00 0.00 N ATOM 0 H LYS A 32 -18.235 26.682 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.399 25.632 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.369 27.782 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.463 27.337 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.554 29.121 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.375 27.700 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.975 28.967 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.684 27.782 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.654 29.881 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.203 29.494 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.995 31.836 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.724 31.040 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.558 31.193 -3.083 1.00 0.00 H new ATOM 482 N THR A 33 -17.537 24.881 -5.794 1.00 0.00 N ATOM 483 CA THR A 33 -16.919 24.011 -6.787 1.00 0.00 C ATOM 484 C THR A 33 -17.321 22.557 -6.571 1.00 0.00 C ATOM 485 O THR A 33 -17.350 22.072 -5.440 1.00 0.00 O ATOM 486 CB THR A 33 -15.383 24.118 -6.748 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.992 25.474 -6.504 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.774 23.638 -8.057 1.00 0.00 C ATOM 0 H THR A 33 -16.875 25.410 -5.226 1.00 0.00 H new ATOM 0 HA THR A 33 -17.275 24.342 -7.763 1.00 0.00 H new ATOM 0 HB THR A 33 -15.017 23.484 -5.940 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.014 25.533 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.689 23.723 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.049 22.597 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.148 24.250 -8.878 1.00 0.00 H new ATOM 496 N SER A 34 -17.631 21.865 -7.663 1.00 0.00 N ATOM 497 CA SER A 34 -18.035 20.466 -7.593 1.00 0.00 C ATOM 498 C SER A 34 -16.838 19.569 -7.292 1.00 0.00 C ATOM 499 O SER A 34 -15.709 20.044 -7.163 1.00 0.00 O ATOM 500 CB SER A 34 -18.692 20.036 -8.906 1.00 0.00 C ATOM 501 OG SER A 34 -19.348 18.788 -8.763 1.00 0.00 O ATOM 0 H SER A 34 -17.610 22.251 -8.607 1.00 0.00 H new ATOM 0 HA SER A 34 -18.757 20.362 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.409 20.793 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.936 19.966 -9.688 1.00 0.00 H new ATOM 0 HG SER A 34 -19.761 18.536 -9.615 1.00 0.00 H new ATOM 507 N LEU A 35 -17.093 18.270 -7.183 1.00 0.00 N ATOM 508 CA LEU A 35 -16.037 17.305 -6.899 1.00 0.00 C ATOM 509 C LEU A 35 -15.043 17.228 -8.053 1.00 0.00 C ATOM 510 O LEU A 35 -13.863 17.535 -7.889 1.00 0.00 O ATOM 511 CB LEU A 35 -16.639 15.923 -6.637 1.00 0.00 C ATOM 512 CG LEU A 35 -15.816 14.990 -5.748 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.600 14.472 -6.500 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.392 15.704 -4.473 1.00 0.00 C ATOM 0 H LEU A 35 -18.022 17.861 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.505 17.639 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.619 16.057 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.799 15.431 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.439 14.138 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.026 13.810 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.925 13.923 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.976 15.312 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.807 15.025 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.787 16.574 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.277 16.025 -3.924 1.00 0.00 H new ATOM 526 N GLU A 36 -15.530 16.820 -9.221 1.00 0.00 N ATOM 527 CA GLU A 36 -14.684 16.705 -10.402 1.00 0.00 C ATOM 528 C GLU A 36 -14.052 18.050 -10.752 1.00 0.00 C ATOM 529 O GLU A 36 -12.866 18.126 -11.072 1.00 0.00 O ATOM 530 CB GLU A 36 -15.496 16.186 -11.590 1.00 0.00 C ATOM 531 CG GLU A 36 -16.610 17.125 -12.023 1.00 0.00 C ATOM 532 CD GLU A 36 -17.651 16.438 -12.885 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.177 15.390 -12.455 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.939 16.947 -13.988 1.00 0.00 O ATOM 0 H GLU A 36 -16.505 16.564 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.887 15.996 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.825 16.019 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.928 15.219 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.093 17.541 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.181 17.961 -12.575 1.00 0.00 H new ATOM 541 N ASP A 37 -14.855 19.107 -10.690 1.00 0.00 N ATOM 542 CA ASP A 37 -14.376 20.449 -10.999 1.00 0.00 C ATOM 543 C ASP A 37 -13.197 20.825 -10.107 1.00 0.00 C ATOM 544 O ASP A 37 -12.228 21.431 -10.564 1.00 0.00 O ATOM 545 CB ASP A 37 -15.504 21.468 -10.830 1.00 0.00 C ATOM 546 CG ASP A 37 -16.628 21.258 -11.826 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.431 20.487 -12.789 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.704 21.864 -11.643 1.00 0.00 O ATOM 0 H ASP A 37 -15.840 19.060 -10.429 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.041 20.458 -12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.902 21.400 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.101 22.474 -10.948 1.00 0.00 H new ATOM 553 N ALA A 38 -13.287 20.461 -8.832 1.00 0.00 N ATOM 554 CA ALA A 38 -12.227 20.759 -7.876 1.00 0.00 C ATOM 555 C ALA A 38 -10.920 20.085 -8.278 1.00 0.00 C ATOM 556 O ALA A 38 -9.882 20.737 -8.393 1.00 0.00 O ATOM 557 CB ALA A 38 -12.640 20.323 -6.478 1.00 0.00 C ATOM 0 H ALA A 38 -14.083 19.960 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.064 21.837 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.840 20.551 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.545 20.855 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.832 19.250 -6.473 1.00 0.00 H new ATOM 563 N THR A 39 -10.976 18.773 -8.489 1.00 0.00 N ATOM 564 CA THR A 39 -9.796 18.010 -8.876 1.00 0.00 C ATOM 565 C THR A 39 -9.259 18.475 -10.225 1.00 0.00 C ATOM 566 O THR A 39 -8.069 18.763 -10.365 1.00 0.00 O ATOM 567 CB THR A 39 -10.102 16.502 -8.950 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.699 16.063 -7.725 1.00 0.00 O ATOM 569 CG2 THR A 39 -8.833 15.706 -9.217 1.00 0.00 C ATOM 0 H THR A 39 -11.826 18.217 -8.398 1.00 0.00 H new ATOM 0 HA THR A 39 -9.042 18.183 -8.109 1.00 0.00 H new ATOM 0 HB THR A 39 -10.797 16.334 -9.772 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.892 15.104 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.073 14.644 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.397 16.023 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.118 15.880 -8.413 1.00 0.00 H new ATOM 577 N LEU A 40 -10.141 18.547 -11.215 1.00 0.00 N ATOM 578 CA LEU A 40 -9.755 18.978 -12.554 1.00 0.00 C ATOM 579 C LEU A 40 -8.671 20.049 -12.490 1.00 0.00 C ATOM 580 O LEU A 40 -7.798 20.113 -13.355 1.00 0.00 O ATOM 581 CB LEU A 40 -10.973 19.514 -13.310 1.00 0.00 C ATOM 582 CG LEU A 40 -11.764 18.487 -14.122 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.050 19.102 -14.651 1.00 0.00 C ATOM 584 CD2 LEU A 40 -10.919 17.946 -15.265 1.00 0.00 C ATOM 0 H LEU A 40 -11.129 18.312 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.356 18.114 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.648 19.976 -12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.639 20.302 -13.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.026 17.657 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.600 18.357 -15.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.663 19.440 -13.815 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.811 19.951 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.498 17.217 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.626 18.766 -15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.026 17.467 -14.863 1.00 0.00 H new ATOM 596 N GLN A 41 -8.733 20.885 -11.459 1.00 0.00 N ATOM 597 CA GLN A 41 -7.755 21.952 -11.282 1.00 0.00 C ATOM 598 C GLN A 41 -6.517 21.440 -10.554 1.00 0.00 C ATOM 599 O GLN A 41 -5.388 21.726 -10.954 1.00 0.00 O ATOM 600 CB GLN A 41 -8.373 23.116 -10.505 1.00 0.00 C ATOM 601 CG GLN A 41 -9.220 24.040 -11.365 1.00 0.00 C ATOM 602 CD GLN A 41 -9.776 25.216 -10.586 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.061 26.173 -10.289 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.059 25.150 -10.249 1.00 0.00 N ATOM 0 H GLN A 41 -9.449 20.844 -10.734 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.455 22.303 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.989 22.717 -9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.576 23.696 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.618 24.411 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.044 23.473 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.615 24.338 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.488 25.912 -9.723 1.00 0.00 H new ATOM 613 N ILE A 42 -6.736 20.684 -9.484 1.00 0.00 N ATOM 614 CA ILE A 42 -5.638 20.131 -8.701 1.00 0.00 C ATOM 615 C ILE A 42 -4.721 19.275 -9.568 1.00 0.00 C ATOM 616 O ILE A 42 -3.503 19.454 -9.564 1.00 0.00 O ATOM 617 CB ILE A 42 -6.155 19.281 -7.526 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.993 20.140 -6.577 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.993 18.641 -6.782 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.859 19.332 -5.636 1.00 0.00 C ATOM 0 H ILE A 42 -7.664 20.440 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.076 20.977 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.788 18.487 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.328 20.774 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.629 20.802 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.376 18.044 -5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.433 18.000 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.336 19.420 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.425 20.006 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.549 18.717 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.228 18.689 -5.022 1.00 0.00 H new ATOM 632 N GLU A 43 -5.315 18.347 -10.311 1.00 0.00 N ATOM 633 CA GLU A 43 -4.550 17.464 -11.184 1.00 0.00 C ATOM 634 C GLU A 43 -3.638 18.267 -12.106 1.00 0.00 C ATOM 635 O GLU A 43 -2.419 18.100 -12.088 1.00 0.00 O ATOM 636 CB GLU A 43 -5.493 16.591 -12.015 1.00 0.00 C ATOM 637 CG GLU A 43 -6.043 15.395 -11.257 1.00 0.00 C ATOM 638 CD GLU A 43 -5.132 14.186 -11.334 1.00 0.00 C ATOM 639 OE1 GLU A 43 -3.914 14.372 -11.539 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.637 13.053 -11.189 1.00 0.00 O ATOM 0 H GLU A 43 -6.322 18.187 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.930 16.823 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.325 17.202 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.962 16.237 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.190 15.668 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.022 15.134 -11.659 1.00 0.00 H new ATOM 647 N GLU A 44 -4.237 19.138 -12.911 1.00 0.00 N ATOM 648 CA GLU A 44 -3.479 19.966 -13.841 1.00 0.00 C ATOM 649 C GLU A 44 -2.450 20.814 -13.099 1.00 0.00 C ATOM 650 O GLU A 44 -1.447 21.239 -13.675 1.00 0.00 O ATOM 651 CB GLU A 44 -4.420 20.870 -14.640 1.00 0.00 C ATOM 652 CG GLU A 44 -5.139 21.903 -13.789 1.00 0.00 C ATOM 653 CD GLU A 44 -5.823 22.970 -14.621 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.132 23.912 -15.064 1.00 0.00 O ATOM 655 OE2 GLU A 44 -7.050 22.863 -14.830 1.00 0.00 O ATOM 0 H GLU A 44 -5.245 19.289 -12.938 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.952 19.305 -14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.848 21.383 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.160 20.252 -15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.880 21.403 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.424 22.375 -13.116 1.00 0.00 H new ATOM 662 N LEU A 45 -2.706 21.059 -11.819 1.00 0.00 N ATOM 663 CA LEU A 45 -1.803 21.857 -10.997 1.00 0.00 C ATOM 664 C LEU A 45 -0.580 21.044 -10.585 1.00 0.00 C ATOM 665 O LEU A 45 0.494 21.598 -10.347 1.00 0.00 O ATOM 666 CB LEU A 45 -2.532 22.368 -9.753 1.00 0.00 C ATOM 667 CG LEU A 45 -1.666 22.594 -8.512 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.737 23.780 -8.718 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.539 22.804 -7.284 1.00 0.00 C ATOM 0 H LEU A 45 -3.532 20.717 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.468 22.708 -11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.023 23.308 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.317 21.656 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.056 21.705 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.129 23.925 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.087 23.589 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.328 24.677 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.906 22.963 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.175 23.676 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.162 21.923 -7.125 1.00 0.00 H new ATOM 681 N TRP A 46 -0.749 19.729 -10.505 1.00 0.00 N ATOM 682 CA TRP A 46 0.343 18.840 -10.124 1.00 0.00 C ATOM 683 C TRP A 46 1.234 18.529 -11.321 1.00 0.00 C ATOM 684 O TRP A 46 2.428 18.270 -11.168 1.00 0.00 O ATOM 685 CB TRP A 46 -0.212 17.542 -9.534 1.00 0.00 C ATOM 686 CG TRP A 46 0.730 16.383 -9.659 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.808 15.498 -10.695 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.728 15.984 -8.712 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.793 14.572 -10.450 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.373 14.849 -9.240 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.140 16.476 -7.471 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.405 14.200 -8.568 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.164 15.831 -6.805 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.788 14.703 -7.355 1.00 0.00 C ATOM 0 H TRP A 46 -1.631 19.255 -10.699 1.00 0.00 H new ATOM 0 HA TRP A 46 0.945 19.346 -9.369 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.445 17.700 -8.481 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.149 17.295 -10.034 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.187 15.522 -11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.051 13.803 -11.069 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.666 17.345 -7.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.886 13.330 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.489 16.202 -5.844 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.587 14.222 -6.810 1.00 0.00 H new ATOM 705 N LYS A 47 0.648 18.557 -12.513 1.00 0.00 N ATOM 706 CA LYS A 47 1.390 18.280 -13.737 1.00 0.00 C ATOM 707 C LYS A 47 2.226 19.486 -14.152 1.00 0.00 C ATOM 708 O LYS A 47 2.927 19.451 -15.164 1.00 0.00 O ATOM 709 CB LYS A 47 0.428 17.900 -14.866 1.00 0.00 C ATOM 710 CG LYS A 47 -0.327 16.607 -14.612 1.00 0.00 C ATOM 711 CD LYS A 47 -1.694 16.620 -15.276 1.00 0.00 C ATOM 712 CE LYS A 47 -1.578 16.680 -16.791 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.740 17.375 -17.410 1.00 0.00 N ATOM 0 H LYS A 47 -0.339 18.769 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 47 2.062 17.444 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.290 18.708 -15.008 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.990 17.806 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.254 15.765 -14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.444 16.458 -13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.248 15.727 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.264 17.478 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.658 17.197 -17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.506 15.668 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.623 17.395 -18.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.616 16.868 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.795 18.349 -17.049 1.00 0.00 H new ATOM 727 N THR A 48 2.150 20.553 -13.362 1.00 0.00 N ATOM 728 CA THR A 48 2.900 21.769 -13.647 1.00 0.00 C ATOM 729 C THR A 48 3.758 22.178 -12.456 1.00 0.00 C ATOM 730 O THR A 48 4.433 23.208 -12.488 1.00 0.00 O ATOM 731 CB THR A 48 1.962 22.935 -14.014 1.00 0.00 C ATOM 732 OG1 THR A 48 2.730 24.073 -14.419 1.00 0.00 O ATOM 733 CG2 THR A 48 1.076 23.308 -12.835 1.00 0.00 C ATOM 0 H THR A 48 1.576 20.599 -12.520 1.00 0.00 H new ATOM 0 HA THR A 48 3.545 21.550 -14.498 1.00 0.00 H new ATOM 0 HB THR A 48 1.326 22.615 -14.839 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.562 24.107 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.423 24.133 -13.118 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.471 22.448 -12.548 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.699 23.610 -11.993 1.00 0.00 H new ATOM 741 N LEU A 49 3.728 21.366 -11.405 1.00 0.00 N ATOM 742 CA LEU A 49 4.505 21.643 -10.201 1.00 0.00 C ATOM 743 C LEU A 49 5.996 21.704 -10.517 1.00 0.00 C ATOM 744 O LEU A 49 6.401 21.585 -11.674 1.00 0.00 O ATOM 745 CB LEU A 49 4.239 20.572 -9.142 1.00 0.00 C ATOM 746 CG LEU A 49 3.022 20.801 -8.245 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.590 19.500 -7.588 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.327 21.857 -7.192 1.00 0.00 C ATOM 0 H LEU A 49 3.174 20.511 -11.362 1.00 0.00 H new ATOM 0 HA LEU A 49 4.195 22.613 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.118 19.613 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.122 20.489 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 49 2.201 21.161 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.723 19.683 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.330 18.773 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.407 19.110 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.450 22.007 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.163 21.526 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.587 22.795 -7.682 1.00 0.00 H new ATOM 760 N SER A 50 6.808 21.888 -9.481 1.00 0.00 N ATOM 761 CA SER A 50 8.254 21.967 -9.648 1.00 0.00 C ATOM 762 C SER A 50 8.892 20.587 -9.515 1.00 0.00 C ATOM 763 O SER A 50 8.368 19.715 -8.823 1.00 0.00 O ATOM 764 CB SER A 50 8.857 22.922 -8.617 1.00 0.00 C ATOM 765 OG SER A 50 8.899 24.248 -9.113 1.00 0.00 O ATOM 0 H SER A 50 6.489 21.985 -8.517 1.00 0.00 H new ATOM 0 HA SER A 50 8.459 22.348 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.268 22.892 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.864 22.595 -8.359 1.00 0.00 H new ATOM 0 HG SER A 50 9.287 24.839 -8.434 1.00 0.00 H new ATOM 771 N GLU A 51 10.026 20.399 -10.183 1.00 0.00 N ATOM 772 CA GLU A 51 10.735 19.126 -10.139 1.00 0.00 C ATOM 773 C GLU A 51 10.809 18.593 -8.711 1.00 0.00 C ATOM 774 O GLU A 51 10.171 17.596 -8.377 1.00 0.00 O ATOM 775 CB GLU A 51 12.146 19.282 -10.711 1.00 0.00 C ATOM 776 CG GLU A 51 12.221 19.067 -12.213 1.00 0.00 C ATOM 777 CD GLU A 51 13.404 19.775 -12.845 1.00 0.00 C ATOM 778 OE1 GLU A 51 13.367 21.020 -12.941 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.365 19.085 -13.244 1.00 0.00 O ATOM 0 H GLU A 51 10.473 21.111 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 51 10.182 18.410 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.516 20.280 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.810 18.572 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.288 17.999 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.300 19.424 -12.674 1.00 0.00 H new ATOM 786 N GLU A 52 11.594 19.265 -7.875 1.00 0.00 N ATOM 787 CA GLU A 52 11.753 18.858 -6.484 1.00 0.00 C ATOM 788 C GLU A 52 10.399 18.556 -5.847 1.00 0.00 C ATOM 789 O GLU A 52 10.188 17.475 -5.298 1.00 0.00 O ATOM 790 CB GLU A 52 12.470 19.951 -5.688 1.00 0.00 C ATOM 791 CG GLU A 52 13.056 19.462 -4.374 1.00 0.00 C ATOM 792 CD GLU A 52 14.480 18.961 -4.520 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.662 17.817 -4.984 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.412 19.715 -4.170 1.00 0.00 O ATOM 0 H GLU A 52 12.129 20.093 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 52 12.355 17.950 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.270 20.369 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.768 20.760 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.033 20.273 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.432 18.661 -3.978 1.00 0.00 H new ATOM 801 N GLU A 53 9.487 19.520 -5.926 1.00 0.00 N ATOM 802 CA GLU A 53 8.154 19.357 -5.356 1.00 0.00 C ATOM 803 C GLU A 53 7.618 17.953 -5.620 1.00 0.00 C ATOM 804 O GLU A 53 7.202 17.251 -4.698 1.00 0.00 O ATOM 805 CB GLU A 53 7.196 20.399 -5.937 1.00 0.00 C ATOM 806 CG GLU A 53 5.993 20.680 -5.053 1.00 0.00 C ATOM 807 CD GLU A 53 6.385 21.073 -3.642 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.570 22.283 -3.393 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.507 20.171 -2.787 1.00 0.00 O ATOM 0 H GLU A 53 9.646 20.420 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 53 8.227 19.503 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.740 21.329 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.848 20.057 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.399 21.479 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.359 19.794 -5.017 1.00 0.00 H new ATOM 816 N LYS A 54 7.629 17.550 -6.886 1.00 0.00 N ATOM 817 CA LYS A 54 7.145 16.230 -7.273 1.00 0.00 C ATOM 818 C LYS A 54 7.988 15.132 -6.633 1.00 0.00 C ATOM 819 O LYS A 54 7.457 14.217 -6.001 1.00 0.00 O ATOM 820 CB LYS A 54 7.168 16.083 -8.796 1.00 0.00 C ATOM 821 CG LYS A 54 6.264 17.068 -9.516 1.00 0.00 C ATOM 822 CD LYS A 54 5.948 16.606 -10.929 1.00 0.00 C ATOM 823 CE LYS A 54 4.720 15.709 -10.961 1.00 0.00 C ATOM 824 NZ LYS A 54 4.417 15.232 -12.339 1.00 0.00 N ATOM 0 H LYS A 54 7.968 18.119 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 54 6.119 16.128 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.190 16.215 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.868 15.069 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.337 17.189 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.745 18.046 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.783 17.473 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.804 16.068 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.879 14.852 -10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.862 16.254 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.574 14.624 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.240 16.049 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.226 14.690 -12.704 1.00 0.00 H new ATOM 838 N LEU A 55 9.302 15.228 -6.799 1.00 0.00 N ATOM 839 CA LEU A 55 10.219 14.243 -6.236 1.00 0.00 C ATOM 840 C LEU A 55 9.797 13.851 -4.824 1.00 0.00 C ATOM 841 O LEU A 55 9.543 12.680 -4.542 1.00 0.00 O ATOM 842 CB LEU A 55 11.645 14.795 -6.219 1.00 0.00 C ATOM 843 CG LEU A 55 12.477 14.543 -7.477 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.764 13.058 -7.639 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.764 15.087 -8.706 1.00 0.00 C ATOM 0 H LEU A 55 9.757 15.978 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 55 10.188 13.353 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.595 15.871 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.170 14.363 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 55 13.427 15.066 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.357 12.898 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.317 12.698 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.824 12.513 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.371 14.899 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.799 14.592 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.611 16.160 -8.593 1.00 0.00 H new ATOM 857 N LYS A 56 9.721 14.840 -3.939 1.00 0.00 N ATOM 858 CA LYS A 56 9.326 14.601 -2.556 1.00 0.00 C ATOM 859 C LYS A 56 8.173 13.605 -2.483 1.00 0.00 C ATOM 860 O LYS A 56 8.195 12.672 -1.681 1.00 0.00 O ATOM 861 CB LYS A 56 8.922 15.915 -1.885 1.00 0.00 C ATOM 862 CG LYS A 56 10.093 16.680 -1.291 1.00 0.00 C ATOM 863 CD LYS A 56 9.627 17.906 -0.524 1.00 0.00 C ATOM 864 CE LYS A 56 8.987 17.525 0.802 1.00 0.00 C ATOM 865 NZ LYS A 56 9.980 16.950 1.751 1.00 0.00 N ATOM 0 H LYS A 56 9.928 15.815 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 56 10.181 14.179 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.419 16.547 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.200 15.704 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.656 16.026 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.772 16.984 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.475 18.567 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.911 18.464 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.525 18.405 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.191 16.802 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.598 16.986 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.176 15.962 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.861 17.500 1.707 1.00 0.00 H new ATOM 879 N TYR A 57 7.168 13.810 -3.328 1.00 0.00 N ATOM 880 CA TYR A 57 6.005 12.931 -3.359 1.00 0.00 C ATOM 881 C TYR A 57 6.359 11.580 -3.974 1.00 0.00 C ATOM 882 O TYR A 57 6.110 10.532 -3.381 1.00 0.00 O ATOM 883 CB TYR A 57 4.868 13.581 -4.149 1.00 0.00 C ATOM 884 CG TYR A 57 3.948 14.428 -3.299 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.851 13.868 -2.656 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.176 15.790 -3.138 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.007 14.638 -1.880 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.338 16.567 -2.362 1.00 0.00 C ATOM 889 CZ TYR A 57 2.255 15.987 -1.736 1.00 0.00 C ATOM 890 OH TYR A 57 1.418 16.758 -0.962 1.00 0.00 O ATOM 0 H TYR A 57 7.136 14.577 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 57 5.678 12.768 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.293 14.201 -4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.283 12.801 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.655 12.812 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.022 16.248 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.158 14.186 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.530 17.623 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 57 1.733 17.686 -0.964 1.00 0.00 H new ATOM 900 N GLU A 58 6.942 11.616 -5.168 1.00 0.00 N ATOM 901 CA GLU A 58 7.330 10.396 -5.865 1.00 0.00 C ATOM 902 C GLU A 58 7.909 9.374 -4.891 1.00 0.00 C ATOM 903 O GLU A 58 7.550 8.198 -4.924 1.00 0.00 O ATOM 904 CB GLU A 58 8.353 10.710 -6.959 1.00 0.00 C ATOM 905 CG GLU A 58 7.788 11.539 -8.101 1.00 0.00 C ATOM 906 CD GLU A 58 7.183 10.685 -9.198 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.923 10.300 -10.127 1.00 0.00 O ATOM 908 OE2 GLU A 58 5.969 10.401 -9.127 1.00 0.00 O ATOM 0 H GLU A 58 7.156 12.476 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 58 6.437 9.971 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.194 11.243 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.743 9.774 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.028 12.216 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.580 12.158 -8.523 1.00 0.00 H new ATOM 915 N GLU A 59 8.808 9.833 -4.025 1.00 0.00 N ATOM 916 CA GLU A 59 9.437 8.959 -3.043 1.00 0.00 C ATOM 917 C GLU A 59 8.391 8.131 -2.302 1.00 0.00 C ATOM 918 O GLU A 59 8.567 6.930 -2.093 1.00 0.00 O ATOM 919 CB GLU A 59 10.254 9.782 -2.044 1.00 0.00 C ATOM 920 CG GLU A 59 11.698 9.994 -2.467 1.00 0.00 C ATOM 921 CD GLU A 59 12.510 10.732 -1.421 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.206 11.916 -1.162 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.448 10.128 -0.861 1.00 0.00 O ATOM 0 H GLU A 59 9.116 10.804 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 59 10.104 8.279 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.777 10.753 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.238 9.283 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.160 9.027 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.720 10.555 -3.401 1.00 0.00 H new ATOM 930 N LYS A 60 7.303 8.782 -1.905 1.00 0.00 N ATOM 931 CA LYS A 60 6.227 8.108 -1.188 1.00 0.00 C ATOM 932 C LYS A 60 5.557 7.061 -2.071 1.00 0.00 C ATOM 933 O LYS A 60 5.409 5.904 -1.676 1.00 0.00 O ATOM 934 CB LYS A 60 5.190 9.126 -0.709 1.00 0.00 C ATOM 935 CG LYS A 60 5.582 9.836 0.575 1.00 0.00 C ATOM 936 CD LYS A 60 4.862 11.166 0.720 1.00 0.00 C ATOM 937 CE LYS A 60 3.406 10.972 1.113 1.00 0.00 C ATOM 938 NZ LYS A 60 2.786 12.239 1.591 1.00 0.00 N ATOM 0 H LYS A 60 7.143 9.776 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 60 6.660 7.605 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.034 9.868 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.238 8.618 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.349 9.200 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.659 10.002 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.365 11.773 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.916 11.715 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.846 10.594 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.339 10.217 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.794 12.064 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.304 12.587 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.827 12.952 0.835 1.00 0.00 H new ATOM 952 N ALA A 61 5.153 7.473 -3.269 1.00 0.00 N ATOM 953 CA ALA A 61 4.502 6.569 -4.209 1.00 0.00 C ATOM 954 C ALA A 61 5.405 5.389 -4.550 1.00 0.00 C ATOM 955 O ALA A 61 5.067 4.236 -4.280 1.00 0.00 O ATOM 956 CB ALA A 61 4.107 7.318 -5.473 1.00 0.00 C ATOM 0 H ALA A 61 5.265 8.427 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 61 3.601 6.178 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.622 6.631 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.418 8.123 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.998 7.737 -5.941 1.00 0.00 H new ATOM 962 N THR A 62 6.556 5.683 -5.148 1.00 0.00 N ATOM 963 CA THR A 62 7.506 4.647 -5.529 1.00 0.00 C ATOM 964 C THR A 62 7.754 3.678 -4.378 1.00 0.00 C ATOM 965 O THR A 62 7.740 2.461 -4.563 1.00 0.00 O ATOM 966 CB THR A 62 8.851 5.253 -5.973 1.00 0.00 C ATOM 967 OG1 THR A 62 9.638 4.262 -6.642 1.00 0.00 O ATOM 968 CG2 THR A 62 9.620 5.798 -4.779 1.00 0.00 C ATOM 0 H THR A 62 6.852 6.632 -5.379 1.00 0.00 H new ATOM 0 HA THR A 62 7.065 4.107 -6.367 1.00 0.00 H new ATOM 0 HB THR A 62 8.645 6.075 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.491 4.656 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.566 6.221 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.031 6.573 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.815 4.991 -4.073 1.00 0.00 H new ATOM 976 N LYS A 63 7.981 4.226 -3.189 1.00 0.00 N ATOM 977 CA LYS A 63 8.230 3.411 -2.005 1.00 0.00 C ATOM 978 C LYS A 63 7.258 2.237 -1.938 1.00 0.00 C ATOM 979 O LYS A 63 7.564 1.198 -1.355 1.00 0.00 O ATOM 980 CB LYS A 63 8.107 4.262 -0.739 1.00 0.00 C ATOM 981 CG LYS A 63 8.427 3.503 0.537 1.00 0.00 C ATOM 982 CD LYS A 63 8.058 4.308 1.772 1.00 0.00 C ATOM 983 CE LYS A 63 7.678 3.404 2.934 1.00 0.00 C ATOM 984 NZ LYS A 63 8.831 2.585 3.400 1.00 0.00 N ATOM 0 H LYS A 63 7.998 5.232 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 63 9.244 3.017 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.777 5.118 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.093 4.656 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.887 2.556 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.490 3.263 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.899 4.939 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.226 4.972 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.306 4.011 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.864 2.746 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.535 1.995 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.159 1.975 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.605 3.213 3.698 1.00 0.00 H new ATOM 998 N ASP A 64 6.086 2.411 -2.540 1.00 0.00 N ATOM 999 CA ASP A 64 5.070 1.365 -2.551 1.00 0.00 C ATOM 1000 C ASP A 64 5.121 0.571 -3.853 1.00 0.00 C ATOM 1001 O ASP A 64 4.845 -0.630 -3.871 1.00 0.00 O ATOM 1002 CB ASP A 64 3.679 1.973 -2.365 1.00 0.00 C ATOM 1003 CG ASP A 64 2.687 0.985 -1.785 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.852 -0.230 -2.023 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.747 1.426 -1.092 1.00 0.00 O ATOM 0 H ASP A 64 5.816 3.266 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 64 5.275 0.686 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.750 2.840 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.311 2.331 -3.327 1.00 0.00 H new ATOM 1010 N LEU A 65 5.475 1.248 -4.939 1.00 0.00 N ATOM 1011 CA LEU A 65 5.561 0.606 -6.246 1.00 0.00 C ATOM 1012 C LEU A 65 6.427 -0.648 -6.181 1.00 0.00 C ATOM 1013 O LEU A 65 5.973 -1.744 -6.508 1.00 0.00 O ATOM 1014 CB LEU A 65 6.133 1.580 -7.278 1.00 0.00 C ATOM 1015 CG LEU A 65 6.442 0.994 -8.656 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.161 0.568 -9.355 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.205 2.000 -9.505 1.00 0.00 C ATOM 0 H LEU A 65 5.707 2.241 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 65 4.554 0.316 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.426 2.400 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.050 2.009 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 65 7.069 0.112 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.401 0.154 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.653 -0.188 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.508 1.432 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.416 1.566 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.604 2.900 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.143 2.256 -9.011 1.00 0.00 H new ATOM 1029 N GLU A 66 7.674 -0.479 -5.755 1.00 0.00 N ATOM 1030 CA GLU A 66 8.602 -1.598 -5.645 1.00 0.00 C ATOM 1031 C GLU A 66 7.881 -2.859 -5.176 1.00 0.00 C ATOM 1032 O GLU A 66 8.030 -3.928 -5.768 1.00 0.00 O ATOM 1033 CB GLU A 66 9.737 -1.256 -4.677 1.00 0.00 C ATOM 1034 CG GLU A 66 9.255 -0.841 -3.297 1.00 0.00 C ATOM 1035 CD GLU A 66 10.384 -0.370 -2.402 1.00 0.00 C ATOM 1036 OE1 GLU A 66 11.273 -1.188 -2.085 1.00 0.00 O ATOM 1037 OE2 GLU A 66 10.380 0.819 -2.018 1.00 0.00 O ATOM 0 H GLU A 66 8.065 0.422 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 66 9.022 -1.787 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.393 -2.121 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.335 -0.450 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.519 -0.043 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.749 -1.683 -2.825 1.00 0.00 H new ATOM 1044 N ARG A 67 7.101 -2.724 -4.109 1.00 0.00 N ATOM 1045 CA ARG A 67 6.358 -3.852 -3.559 1.00 0.00 C ATOM 1046 C ARG A 67 5.401 -4.430 -4.597 1.00 0.00 C ATOM 1047 O ARG A 67 5.361 -5.642 -4.812 1.00 0.00 O ATOM 1048 CB ARG A 67 5.578 -3.419 -2.316 1.00 0.00 C ATOM 1049 CG ARG A 67 5.220 -4.570 -1.390 1.00 0.00 C ATOM 1050 CD ARG A 67 4.911 -4.079 0.016 1.00 0.00 C ATOM 1051 NE ARG A 67 3.570 -3.510 0.115 1.00 0.00 N ATOM 1052 CZ ARG A 67 2.459 -4.239 0.093 1.00 0.00 C ATOM 1053 NH1 ARG A 67 2.530 -5.557 -0.024 1.00 0.00 N ATOM 1054 NH2 ARG A 67 1.275 -3.648 0.188 1.00 0.00 N ATOM 0 H ARG A 67 6.967 -1.846 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 67 7.074 -4.625 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.169 -2.689 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.662 -2.917 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.357 -5.104 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.046 -5.281 -1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.006 -4.907 0.718 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.646 -3.328 0.307 1.00 0.00 H new ATOM 0 HE ARG A 67 3.481 -2.498 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.439 -6.014 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.676 -6.114 -0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.217 -2.634 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.423 -4.208 0.171 1.00 0.00 H new ATOM 1068 N TYR A 68 4.631 -3.557 -5.236 1.00 0.00 N ATOM 1069 CA TYR A 68 3.671 -3.981 -6.249 1.00 0.00 C ATOM 1070 C TYR A 68 4.362 -4.771 -7.356 1.00 0.00 C ATOM 1071 O TYR A 68 3.919 -5.856 -7.728 1.00 0.00 O ATOM 1072 CB TYR A 68 2.956 -2.767 -6.843 1.00 0.00 C ATOM 1073 CG TYR A 68 2.450 -2.991 -8.250 1.00 0.00 C ATOM 1074 CD1 TYR A 68 3.299 -2.869 -9.343 1.00 0.00 C ATOM 1075 CD2 TYR A 68 1.122 -3.326 -8.487 1.00 0.00 C ATOM 1076 CE1 TYR A 68 2.841 -3.072 -10.630 1.00 0.00 C ATOM 1077 CE2 TYR A 68 0.656 -3.533 -9.771 1.00 0.00 C ATOM 1078 CZ TYR A 68 1.519 -3.404 -10.839 1.00 0.00 C ATOM 1079 OH TYR A 68 1.059 -3.609 -12.120 1.00 0.00 O ATOM 0 H TYR A 68 4.653 -2.551 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 68 2.936 -4.628 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.116 -2.501 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.639 -1.917 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.335 -2.611 -9.183 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.443 -3.426 -7.653 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.515 -2.971 -11.468 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.379 -3.794 -9.938 1.00 0.00 H new ATOM 0 HH TYR A 68 0.106 -3.836 -12.093 1.00 0.00 H new ATOM 1089 N ASN A 69 5.451 -4.216 -7.879 1.00 0.00 N ATOM 1090 CA ASN A 69 6.205 -4.868 -8.944 1.00 0.00 C ATOM 1091 C ASN A 69 6.227 -6.380 -8.747 1.00 0.00 C ATOM 1092 O ASN A 69 5.981 -7.142 -9.682 1.00 0.00 O ATOM 1093 CB ASN A 69 7.635 -4.326 -8.990 1.00 0.00 C ATOM 1094 CG ASN A 69 7.755 -3.081 -9.847 1.00 0.00 C ATOM 1095 OD1 ASN A 69 7.124 -2.975 -10.899 1.00 0.00 O ATOM 1096 ND2 ASN A 69 8.567 -2.131 -9.400 1.00 0.00 N ATOM 0 H ASN A 69 5.831 -3.317 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 69 5.711 -4.651 -9.891 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.967 -4.100 -7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.300 -5.097 -9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.688 -1.270 -9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.070 -2.262 -8.522 1.00 0.00 H new ATOM 1103 N SER A 70 6.525 -6.808 -7.524 1.00 0.00 N ATOM 1104 CA SER A 70 6.583 -8.230 -7.205 1.00 0.00 C ATOM 1105 C SER A 70 5.189 -8.848 -7.224 1.00 0.00 C ATOM 1106 O SER A 70 4.944 -9.830 -7.924 1.00 0.00 O ATOM 1107 CB SER A 70 7.229 -8.440 -5.834 1.00 0.00 C ATOM 1108 OG SER A 70 6.402 -7.936 -4.799 1.00 0.00 O ATOM 0 H SER A 70 6.730 -6.191 -6.738 1.00 0.00 H new ATOM 0 HA SER A 70 7.190 -8.724 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.412 -9.502 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.198 -7.942 -5.805 1.00 0.00 H new ATOM 0 HG SER A 70 6.273 -6.972 -4.923 1.00 0.00 H new ATOM 1114 N GLN A 71 4.280 -8.266 -6.448 1.00 0.00 N ATOM 1115 CA GLN A 71 2.910 -8.761 -6.375 1.00 0.00 C ATOM 1116 C GLN A 71 2.455 -9.308 -7.724 1.00 0.00 C ATOM 1117 O GLN A 71 2.240 -10.510 -7.876 1.00 0.00 O ATOM 1118 CB GLN A 71 1.967 -7.646 -5.919 1.00 0.00 C ATOM 1119 CG GLN A 71 2.202 -7.197 -4.486 1.00 0.00 C ATOM 1120 CD GLN A 71 2.256 -8.358 -3.513 1.00 0.00 C ATOM 1121 OE1 GLN A 71 1.242 -8.739 -2.926 1.00 0.00 O ATOM 1122 NE2 GLN A 71 3.442 -8.928 -3.336 1.00 0.00 N ATOM 0 H GLN A 71 4.467 -7.452 -5.862 1.00 0.00 H new ATOM 0 HA GLN A 71 2.882 -9.572 -5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.083 -6.789 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.937 -7.989 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.137 -6.639 -4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.406 -6.515 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.256 -8.580 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.539 -9.714 -2.693 1.00 0.00 H new ATOM 1131 N MET A 72 2.312 -8.417 -8.700 1.00 0.00 N ATOM 1132 CA MET A 72 1.883 -8.812 -10.037 1.00 0.00 C ATOM 1133 C MET A 72 2.425 -10.192 -10.396 1.00 0.00 C ATOM 1134 O MET A 72 1.692 -11.047 -10.893 1.00 0.00 O ATOM 1135 CB MET A 72 2.350 -7.783 -11.069 1.00 0.00 C ATOM 1136 CG MET A 72 1.348 -6.665 -11.309 1.00 0.00 C ATOM 1137 SD MET A 72 0.182 -7.049 -12.630 1.00 0.00 S ATOM 1138 CE MET A 72 -1.155 -7.791 -11.696 1.00 0.00 C ATOM 0 H MET A 72 2.487 -7.418 -8.590 1.00 0.00 H new ATOM 0 HA MET A 72 0.794 -8.856 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.293 -7.349 -10.736 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.548 -8.291 -12.013 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.797 -6.472 -10.388 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.884 -5.749 -11.558 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.304 -8.819 -12.027 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.905 -7.784 -10.635 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.071 -7.222 -11.857 1.00 0.00 H new ATOM 1148 N LYS A 73 3.712 -10.402 -10.142 1.00 0.00 N ATOM 1149 CA LYS A 73 4.352 -11.678 -10.437 1.00 0.00 C ATOM 1150 C LYS A 73 3.386 -12.836 -10.212 1.00 0.00 C ATOM 1151 O LYS A 73 2.956 -13.491 -11.162 1.00 0.00 O ATOM 1152 CB LYS A 73 5.597 -11.861 -9.565 1.00 0.00 C ATOM 1153 CG LYS A 73 6.391 -13.114 -9.894 1.00 0.00 C ATOM 1154 CD LYS A 73 7.551 -13.307 -8.933 1.00 0.00 C ATOM 1155 CE LYS A 73 7.932 -14.774 -8.806 1.00 0.00 C ATOM 1156 NZ LYS A 73 6.979 -15.521 -7.940 1.00 0.00 N ATOM 0 H LYS A 73 4.333 -9.704 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 73 4.648 -11.674 -11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.243 -10.991 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.295 -11.897 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.735 -13.983 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.769 -13.049 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.412 -12.735 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.282 -12.914 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.957 -15.230 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.937 -14.854 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.336 -16.485 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.884 -15.033 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.050 -15.568 -8.406 1.00 0.00 H new ATOM 1170 N ARG A 74 3.048 -13.083 -8.951 1.00 0.00 N ATOM 1171 CA ARG A 74 2.132 -14.162 -8.603 1.00 0.00 C ATOM 1172 C ARG A 74 0.835 -14.054 -9.400 1.00 0.00 C ATOM 1173 O ARG A 74 0.252 -15.063 -9.795 1.00 0.00 O ATOM 1174 CB ARG A 74 1.825 -14.135 -7.104 1.00 0.00 C ATOM 1175 CG ARG A 74 0.845 -13.045 -6.702 1.00 0.00 C ATOM 1176 CD ARG A 74 1.110 -12.551 -5.289 1.00 0.00 C ATOM 1177 NE ARG A 74 0.356 -13.309 -4.294 1.00 0.00 N ATOM 1178 CZ ARG A 74 0.549 -13.198 -2.984 1.00 0.00 C ATOM 1179 NH1 ARG A 74 1.466 -12.365 -2.514 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -0.177 -13.922 -2.142 1.00 0.00 N ATOM 0 H ARG A 74 3.395 -12.550 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 74 2.614 -15.108 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.421 -15.103 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.756 -13.996 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.920 -12.211 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.174 -13.427 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.175 -12.628 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.845 -11.496 -5.218 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.358 -13.959 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.026 -11.807 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.612 -12.282 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.884 -14.564 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.028 -13.836 -1.137 1.00 0.00 H new ATOM 1194 N ALA A 75 0.391 -12.823 -9.633 1.00 0.00 N ATOM 1195 CA ALA A 75 -0.835 -12.583 -10.384 1.00 0.00 C ATOM 1196 C ALA A 75 -0.788 -13.268 -11.746 1.00 0.00 C ATOM 1197 O ALA A 75 -1.586 -14.161 -12.030 1.00 0.00 O ATOM 1198 CB ALA A 75 -1.068 -11.089 -10.550 1.00 0.00 C ATOM 0 H ALA A 75 0.862 -11.977 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.666 -13.009 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.987 -10.924 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.155 -10.623 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.229 -10.647 -11.088 1.00 0.00 H new ATOM 1204 N ILE A 76 0.153 -12.843 -12.583 1.00 0.00 N ATOM 1205 CA ILE A 76 0.304 -13.417 -13.915 1.00 0.00 C ATOM 1206 C ILE A 76 0.129 -14.931 -13.885 1.00 0.00 C ATOM 1207 O ILE A 76 -0.449 -15.517 -14.800 1.00 0.00 O ATOM 1208 CB ILE A 76 1.680 -13.082 -14.519 1.00 0.00 C ATOM 1209 CG1 ILE A 76 1.856 -11.566 -14.635 1.00 0.00 C ATOM 1210 CG2 ILE A 76 1.836 -13.744 -15.880 1.00 0.00 C ATOM 1211 CD1 ILE A 76 2.477 -10.935 -13.409 1.00 0.00 C ATOM 0 H ILE A 76 0.821 -12.104 -12.363 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.474 -12.977 -14.538 1.00 0.00 H new ATOM 0 HB ILE A 76 2.455 -13.469 -13.857 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.479 -11.346 -15.502 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.884 -11.108 -14.816 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.814 -13.498 -16.294 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.750 -14.825 -15.771 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.056 -13.384 -16.551 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.572 -9.860 -13.561 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.844 -11.124 -12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.464 -11.365 -13.238 1.00 0.00 H new ATOM 1223 N GLU A 77 0.631 -15.558 -12.825 1.00 0.00 N ATOM 1224 CA GLU A 77 0.529 -17.005 -12.676 1.00 0.00 C ATOM 1225 C GLU A 77 -0.898 -17.416 -12.321 1.00 0.00 C ATOM 1226 O GLU A 77 -1.797 -16.579 -12.257 1.00 0.00 O ATOM 1227 CB GLU A 77 1.496 -17.498 -11.598 1.00 0.00 C ATOM 1228 CG GLU A 77 2.926 -17.654 -12.088 1.00 0.00 C ATOM 1229 CD GLU A 77 3.794 -18.431 -11.118 1.00 0.00 C ATOM 1230 OE1 GLU A 77 3.727 -18.149 -9.903 1.00 0.00 O ATOM 1231 OE2 GLU A 77 4.541 -19.323 -11.574 1.00 0.00 O ATOM 0 H GLU A 77 1.111 -15.087 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 77 0.794 -17.463 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.482 -16.799 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.145 -18.457 -11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.922 -18.161 -13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.361 -16.667 -12.248 1.00 0.00 H new ATOM 1238 N GLN A 78 -1.095 -18.711 -12.093 1.00 0.00 N ATOM 1239 CA GLN A 78 -2.411 -19.233 -11.747 1.00 0.00 C ATOM 1240 C GLN A 78 -2.743 -18.947 -10.286 1.00 0.00 C ATOM 1241 O GLN A 78 -3.172 -19.836 -9.552 1.00 0.00 O ATOM 1242 CB GLN A 78 -2.471 -20.739 -12.009 1.00 0.00 C ATOM 1243 CG GLN A 78 -2.815 -21.092 -13.447 1.00 0.00 C ATOM 1244 CD GLN A 78 -3.229 -22.542 -13.609 1.00 0.00 C ATOM 1245 OE1 GLN A 78 -3.278 -23.297 -12.638 1.00 0.00 O ATOM 1246 NE2 GLN A 78 -3.529 -22.938 -14.840 1.00 0.00 N ATOM 0 H GLN A 78 -0.360 -19.417 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.149 -18.732 -12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.508 -21.182 -11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.212 -21.186 -11.346 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.623 -20.447 -13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.953 -20.891 -14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.475 -22.278 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.814 -23.902 -15.010 1.00 0.00 H new ATOM 1255 N GLU A 79 -2.542 -17.699 -9.872 1.00 0.00 N ATOM 1256 CA GLU A 79 -2.819 -17.297 -8.498 1.00 0.00 C ATOM 1257 C GLU A 79 -4.078 -16.437 -8.427 1.00 0.00 C ATOM 1258 O GLU A 79 -5.002 -16.731 -7.668 1.00 0.00 O ATOM 1259 CB GLU A 79 -1.630 -16.529 -7.918 1.00 0.00 C ATOM 1260 CG GLU A 79 -0.351 -17.346 -7.854 1.00 0.00 C ATOM 1261 CD GLU A 79 -0.348 -18.337 -6.706 1.00 0.00 C ATOM 1262 OE1 GLU A 79 -0.455 -17.898 -5.543 1.00 0.00 O ATOM 1263 OE2 GLU A 79 -0.238 -19.552 -6.973 1.00 0.00 O ATOM 0 H GLU A 79 -2.189 -16.950 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.982 -18.199 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.453 -15.639 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.884 -16.187 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.220 -17.883 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.500 -16.673 -7.751 1.00 0.00 H new ATOM 1270 N SER A 80 -4.106 -15.372 -9.222 1.00 0.00 N ATOM 1271 CA SER A 80 -5.248 -14.466 -9.247 1.00 0.00 C ATOM 1272 C SER A 80 -6.553 -15.232 -9.053 1.00 0.00 C ATOM 1273 O SER A 80 -7.354 -14.903 -8.178 1.00 0.00 O ATOM 1274 CB SER A 80 -5.287 -13.696 -10.568 1.00 0.00 C ATOM 1275 OG SER A 80 -5.101 -14.566 -11.671 1.00 0.00 O ATOM 0 H SER A 80 -3.350 -15.116 -9.857 1.00 0.00 H new ATOM 0 HA SER A 80 -5.137 -13.758 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.243 -13.181 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.511 -12.931 -10.570 1.00 0.00 H new ATOM 0 HG SER A 80 -5.132 -14.050 -12.504 1.00 0.00 H new ATOM 1281 N GLN A 81 -6.760 -16.255 -9.876 1.00 0.00 N ATOM 1282 CA GLN A 81 -7.968 -17.067 -9.796 1.00 0.00 C ATOM 1283 C GLN A 81 -7.735 -18.449 -10.400 1.00 0.00 C ATOM 1284 O GLN A 81 -7.405 -18.574 -11.578 1.00 0.00 O ATOM 1285 CB GLN A 81 -9.124 -16.372 -10.516 1.00 0.00 C ATOM 1286 CG GLN A 81 -10.493 -16.905 -10.125 1.00 0.00 C ATOM 1287 CD GLN A 81 -11.041 -16.246 -8.875 1.00 0.00 C ATOM 1288 OE1 GLN A 81 -10.363 -16.172 -7.850 1.00 0.00 O ATOM 1289 NE2 GLN A 81 -12.276 -15.763 -8.953 1.00 0.00 N ATOM 0 H GLN A 81 -6.107 -16.541 -10.605 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.225 -17.188 -8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.085 -15.304 -10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.992 -16.487 -11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.189 -16.747 -10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.427 -17.981 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.802 -15.846 -9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.698 -15.309 -8.143 1.00 0.00 H new ATOM 1298 N MET A 82 -7.910 -19.483 -9.583 1.00 0.00 N ATOM 1299 CA MET A 82 -7.720 -20.855 -10.037 1.00 0.00 C ATOM 1300 C MET A 82 -8.260 -21.040 -11.452 1.00 0.00 C ATOM 1301 O MET A 82 -9.431 -20.769 -11.719 1.00 0.00 O ATOM 1302 CB MET A 82 -8.411 -21.831 -9.083 1.00 0.00 C ATOM 1303 CG MET A 82 -7.759 -21.906 -7.713 1.00 0.00 C ATOM 1304 SD MET A 82 -6.366 -23.050 -7.668 1.00 0.00 S ATOM 1305 CE MET A 82 -6.878 -24.158 -6.358 1.00 0.00 C ATOM 0 H MET A 82 -8.183 -19.396 -8.604 1.00 0.00 H new ATOM 0 HA MET A 82 -6.650 -21.063 -10.046 1.00 0.00 H new ATOM 0 HB2 MET A 82 -9.453 -21.534 -8.965 1.00 0.00 H new ATOM 0 HB3 MET A 82 -8.412 -22.825 -9.531 1.00 0.00 H new ATOM 0 HG2 MET A 82 -7.418 -20.912 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.502 -22.215 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.117 -24.924 -6.211 1.00 0.00 H new ATOM 0 HE2 MET A 82 -7.008 -23.594 -5.434 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.821 -24.631 -6.630 1.00 0.00 H new ATOM 1315 N SER A 83 -7.400 -21.501 -12.354 1.00 0.00 N ATOM 1316 CA SER A 83 -7.791 -21.717 -13.742 1.00 0.00 C ATOM 1317 C SER A 83 -7.403 -23.119 -14.204 1.00 0.00 C ATOM 1318 O SER A 83 -6.461 -23.718 -13.684 1.00 0.00 O ATOM 1319 CB SER A 83 -7.137 -20.671 -14.647 1.00 0.00 C ATOM 1320 OG SER A 83 -7.866 -20.511 -15.851 1.00 0.00 O ATOM 0 H SER A 83 -6.428 -21.732 -12.149 1.00 0.00 H new ATOM 0 HA SER A 83 -8.874 -21.618 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.080 -19.717 -14.123 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.114 -20.971 -14.875 1.00 0.00 H new ATOM 0 HG SER A 83 -7.429 -19.836 -16.411 1.00 0.00 H new ATOM 1326 N LEU A 84 -8.137 -23.636 -15.183 1.00 0.00 N ATOM 1327 CA LEU A 84 -7.872 -24.968 -15.716 1.00 0.00 C ATOM 1328 C LEU A 84 -7.604 -24.910 -17.216 1.00 0.00 C ATOM 1329 O LEU A 84 -8.367 -24.307 -17.972 1.00 0.00 O ATOM 1330 CB LEU A 84 -9.053 -25.897 -15.432 1.00 0.00 C ATOM 1331 CG LEU A 84 -8.843 -27.373 -15.772 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -9.854 -28.239 -15.036 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -8.942 -27.594 -17.274 1.00 0.00 C ATOM 0 H LEU A 84 -8.920 -23.153 -15.624 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.983 -25.360 -15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.303 -25.821 -14.374 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.916 -25.535 -15.991 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.843 -27.662 -15.448 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.689 -29.286 -15.290 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.735 -28.103 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.863 -27.949 -15.329 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.790 -28.650 -17.497 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.928 -27.288 -17.623 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.179 -27.003 -17.780 1.00 0.00 H new ATOM 1345 N LYS A 85 -6.516 -25.543 -17.643 1.00 0.00 N ATOM 1346 CA LYS A 85 -6.148 -25.568 -19.053 1.00 0.00 C ATOM 1347 C LYS A 85 -5.789 -26.982 -19.497 1.00 0.00 C ATOM 1348 O LYS A 85 -5.327 -27.796 -18.697 1.00 0.00 O ATOM 1349 CB LYS A 85 -4.970 -24.626 -19.311 1.00 0.00 C ATOM 1350 CG LYS A 85 -5.388 -23.208 -19.658 1.00 0.00 C ATOM 1351 CD LYS A 85 -5.573 -23.032 -21.156 1.00 0.00 C ATOM 1352 CE LYS A 85 -6.913 -23.582 -21.620 1.00 0.00 C ATOM 1353 NZ LYS A 85 -8.032 -23.123 -20.752 1.00 0.00 N ATOM 0 H LYS A 85 -5.873 -26.046 -17.031 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.008 -25.232 -19.633 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.335 -24.602 -18.426 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.367 -25.027 -20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.319 -22.966 -19.145 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.634 -22.507 -19.299 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.505 -21.974 -21.410 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.767 -23.540 -21.685 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.098 -23.268 -22.647 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.878 -24.671 -21.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.937 -23.284 -21.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.020 -23.656 -19.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.922 -22.108 -20.551 1.00 0.00 H new ATOM 1367 N ASP A 86 -6.003 -27.268 -20.777 1.00 0.00 N ATOM 1368 CA ASP A 86 -5.700 -28.583 -21.328 1.00 0.00 C ATOM 1369 C ASP A 86 -5.878 -28.593 -22.843 1.00 0.00 C ATOM 1370 O ASP A 86 -6.656 -27.812 -23.391 1.00 0.00 O ATOM 1371 CB ASP A 86 -6.596 -29.646 -20.690 1.00 0.00 C ATOM 1372 CG ASP A 86 -5.930 -31.007 -20.633 1.00 0.00 C ATOM 1373 OD1 ASP A 86 -4.898 -31.133 -19.942 1.00 0.00 O ATOM 1374 OD2 ASP A 86 -6.440 -31.945 -21.280 1.00 0.00 O ATOM 0 H ASP A 86 -6.385 -26.606 -21.452 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.659 -28.813 -21.101 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.864 -29.333 -19.681 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.524 -29.722 -21.257 1.00 0.00 H new ATOM 1379 N SER A 87 -5.151 -29.480 -23.514 1.00 0.00 N ATOM 1380 CA SER A 87 -5.226 -29.588 -24.966 1.00 0.00 C ATOM 1381 C SER A 87 -5.607 -31.004 -25.387 1.00 0.00 C ATOM 1382 O SER A 87 -5.520 -31.943 -24.597 1.00 0.00 O ATOM 1383 CB SER A 87 -3.887 -29.199 -25.597 1.00 0.00 C ATOM 1384 OG SER A 87 -3.620 -27.819 -25.415 1.00 0.00 O ATOM 0 H SER A 87 -4.503 -30.134 -23.075 1.00 0.00 H new ATOM 0 HA SER A 87 -5.998 -28.903 -25.317 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.086 -29.789 -25.152 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.901 -29.433 -26.662 1.00 0.00 H new ATOM 0 HG SER A 87 -2.759 -27.596 -25.825 1.00 0.00 H new ATOM 1390 N GLY A 88 -6.029 -31.149 -26.640 1.00 0.00 N ATOM 1391 CA GLY A 88 -6.418 -32.452 -27.146 1.00 0.00 C ATOM 1392 C GLY A 88 -6.141 -32.605 -28.628 1.00 0.00 C ATOM 1393 O GLY A 88 -7.020 -32.417 -29.468 1.00 0.00 O ATOM 0 H GLY A 88 -6.108 -30.387 -27.313 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.881 -33.226 -26.598 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.481 -32.608 -26.960 1.00 0.00 H new ATOM 1397 N PRO A 89 -4.891 -32.953 -28.968 1.00 0.00 N ATOM 1398 CA PRO A 89 -4.471 -33.138 -30.360 1.00 0.00 C ATOM 1399 C PRO A 89 -5.093 -34.377 -30.994 1.00 0.00 C ATOM 1400 O PRO A 89 -4.731 -35.505 -30.660 1.00 0.00 O ATOM 1401 CB PRO A 89 -2.952 -33.296 -30.254 1.00 0.00 C ATOM 1402 CG PRO A 89 -2.720 -33.810 -28.875 1.00 0.00 C ATOM 1403 CD PRO A 89 -3.791 -33.195 -28.018 1.00 0.00 C ATOM 0 HA PRO A 89 -4.784 -32.308 -30.994 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.573 -33.990 -31.004 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.443 -32.345 -30.413 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.777 -34.898 -28.850 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.728 -33.534 -28.518 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.095 -33.864 -27.213 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.451 -32.270 -27.552 1.00 0.00 H new ATOM 1411 N SER A 90 -6.031 -34.160 -31.910 1.00 0.00 N ATOM 1412 CA SER A 90 -6.706 -35.261 -32.588 1.00 0.00 C ATOM 1413 C SER A 90 -5.729 -36.043 -33.461 1.00 0.00 C ATOM 1414 O SER A 90 -4.863 -35.462 -34.115 1.00 0.00 O ATOM 1415 CB SER A 90 -7.859 -34.730 -33.443 1.00 0.00 C ATOM 1416 OG SER A 90 -8.709 -35.784 -33.864 1.00 0.00 O ATOM 0 H SER A 90 -6.341 -33.232 -32.200 1.00 0.00 H new ATOM 0 HA SER A 90 -7.105 -35.933 -31.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.434 -34.001 -32.872 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.461 -34.210 -34.314 1.00 0.00 H new ATOM 0 HG SER A 90 -9.439 -35.419 -34.407 1.00 0.00 H new ATOM 1422 N SER A 91 -5.875 -37.364 -33.464 1.00 0.00 N ATOM 1423 CA SER A 91 -5.003 -38.227 -34.252 1.00 0.00 C ATOM 1424 C SER A 91 -5.793 -38.950 -35.338 1.00 0.00 C ATOM 1425 O SER A 91 -5.496 -38.826 -36.526 1.00 0.00 O ATOM 1426 CB SER A 91 -4.307 -39.246 -33.348 1.00 0.00 C ATOM 1427 OG SER A 91 -3.091 -39.691 -33.924 1.00 0.00 O ATOM 0 H SER A 91 -6.589 -37.860 -32.930 1.00 0.00 H new ATOM 0 HA SER A 91 -4.249 -37.602 -34.730 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.109 -38.798 -32.374 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.966 -40.097 -33.179 1.00 0.00 H new ATOM 0 HG SER A 91 -2.664 -40.340 -33.327 1.00 0.00 H new ATOM 1433 N GLY A 92 -6.804 -39.708 -34.922 1.00 0.00 N ATOM 1434 CA GLY A 92 -7.621 -40.441 -35.871 1.00 0.00 C ATOM 1435 C GLY A 92 -8.369 -41.591 -35.225 1.00 0.00 C ATOM 1436 O GLY A 92 -7.783 -42.633 -34.930 1.00 0.00 O ATOM 0 H GLY A 92 -7.071 -39.827 -33.945 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.336 -39.760 -36.332 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.987 -40.827 -36.670 1.00 0.00 H new TER 1440 GLY A 92