USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 729 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 74 THR OG1 : rot -64:sc= 0.935 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.822 USER MOD Set 2.1: A 2 CYS SG : rot -68:sc= 0.449! USER MOD Set 2.2: A 5 CYS SG : rot 48:sc= -0.673! USER MOD Set 2.3: A 30 CYS SG : rot -176:sc= 0.245 USER MOD Set 2.4: A 33 CYS SG : rot -51:sc= 2.51 USER MOD Set 2.5: A 61 CYS SG : rot -156:sc= 0.646 USER MOD Set 2.6: A 63 ASN : amide:sc= 0.102 K(o=4.4,f=2.6) USER MOD Set 2.7: A 64 CYS SG : rot -108:sc= 0.897 USER MOD Set 2.8: A 66 HIS : no HE2:sc= 0.198 K(o=4.4,f=-0.42) USER MOD Set 3.1: A 22 SER OG : rot -57:sc= 0.931 USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 59 HIS : no HD1:sc= 0.748 K(o=3.6,f=-1.3) USER MOD Set 3.4: A 71 HIS : no HD1:sc= 0.431 K(o=3.6,f=-0.19!) USER MOD Set 3.5: A 88 CYS SG : rot 41:sc= 1.78 USER MOD Set 3.6: A 91 CYS SG : rot 180:sc= -0.248 USER MOD Set 4.1: A 20 ASN : amide:sc= 0.88 K(o=2.8,f=-1.7) USER MOD Set 4.2: A 44 LYS NZ :NH3+ -148:sc= 1.91 (180deg=1.34) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.968) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.18 K(o=1.2,f=-0.065) USER MOD Single : A 16 THR OG1 : rot 95:sc= 0.545 USER MOD Single : A 17 CYS SG : rot -87:sc= 0.027 USER MOD Single : A 26 ASN : amide:sc= 2.2 K(o=2.2,f=-8.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -50:sc= 0.00644 USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0.0572 (180deg=0) USER MOD Single : A 39 MET CE :methyl -149:sc=-0.00725 (180deg=-2.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.999 K(o=1,f=-0.21) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -9:sc= 0.00725 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0711) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -172:sc= 0 (180deg=-0.126) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.181 14.780 -8.596 1.00 0.00 N ATOM 2 CA CYS A 2 -0.757 15.231 -9.912 1.00 0.00 C ATOM 3 C CYS A 2 0.656 14.727 -10.293 1.00 0.00 C ATOM 4 O CYS A 2 1.245 15.166 -11.286 1.00 0.00 O ATOM 5 CB CYS A 2 -0.982 16.770 -10.019 1.00 0.00 C ATOM 6 SG CYS A 2 -0.860 17.762 -8.464 1.00 0.00 S ATOM 0 HA CYS A 2 -1.379 14.773 -10.681 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.256 17.167 -10.729 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.971 16.936 -10.447 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.852 17.463 -7.679 1.00 0.00 H new ATOM 11 N GLY A 3 1.211 13.807 -9.494 1.00 0.00 N ATOM 12 CA GLY A 3 2.561 13.233 -9.612 1.00 0.00 C ATOM 13 C GLY A 3 3.632 14.224 -9.148 1.00 0.00 C ATOM 14 O GLY A 3 4.587 13.833 -8.480 1.00 0.00 O ATOM 0 H GLY A 3 0.701 13.419 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.624 12.322 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.749 12.951 -10.648 1.00 0.00 H new ATOM 18 N ASP A 4 3.429 15.521 -9.395 1.00 0.00 N ATOM 19 CA ASP A 4 4.258 16.585 -8.824 1.00 0.00 C ATOM 20 C ASP A 4 4.064 16.639 -7.288 1.00 0.00 C ATOM 21 O ASP A 4 4.918 17.185 -6.585 1.00 0.00 O ATOM 22 CB ASP A 4 3.918 17.930 -9.476 1.00 0.00 C ATOM 23 CG ASP A 4 4.544 18.068 -10.874 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.793 18.138 -10.972 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.798 18.138 -11.880 1.00 0.00 O ATOM 0 H ASP A 4 2.682 15.863 -9.999 1.00 0.00 H new ATOM 0 HA ASP A 4 5.307 16.371 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.835 18.033 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.271 18.741 -8.839 1.00 0.00 H new ATOM 30 N CYS A 5 2.980 16.030 -6.772 1.00 0.00 N ATOM 31 CA CYS A 5 2.678 15.876 -5.353 1.00 0.00 C ATOM 32 C CYS A 5 3.737 15.026 -4.605 1.00 0.00 C ATOM 33 O CYS A 5 3.896 15.174 -3.391 1.00 0.00 O ATOM 34 CB CYS A 5 1.307 15.169 -5.169 1.00 0.00 C ATOM 35 SG CYS A 5 -0.166 16.147 -5.604 1.00 0.00 S ATOM 0 H CYS A 5 2.263 15.616 -7.368 1.00 0.00 H new ATOM 0 HA CYS A 5 2.670 16.883 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.306 14.261 -5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.218 14.860 -4.128 1.00 0.00 H new ATOM 0 HG CYS A 5 0.006 16.694 -6.771 1.00 0.00 H new ATOM 40 N VAL A 6 4.437 14.108 -5.291 1.00 0.00 N ATOM 41 CA VAL A 6 5.387 13.160 -4.671 1.00 0.00 C ATOM 42 C VAL A 6 6.848 13.465 -5.054 1.00 0.00 C ATOM 43 O VAL A 6 7.150 13.802 -6.200 1.00 0.00 O ATOM 44 CB VAL A 6 5.008 11.693 -4.989 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.553 11.385 -4.604 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.182 11.250 -6.447 1.00 0.00 C ATOM 0 H VAL A 6 4.361 13.999 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 6 5.312 13.294 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 6 5.725 11.135 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.326 10.346 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.417 11.550 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.883 12.040 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.886 10.206 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.558 11.868 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.226 11.361 -6.739 1.00 0.00 H new ATOM 56 N GLU A 7 7.781 13.335 -4.105 1.00 0.00 N ATOM 57 CA GLU A 7 9.226 13.532 -4.314 1.00 0.00 C ATOM 58 C GLU A 7 9.781 12.459 -5.274 1.00 0.00 C ATOM 59 O GLU A 7 10.572 12.767 -6.172 1.00 0.00 O ATOM 60 CB GLU A 7 9.959 13.516 -2.951 1.00 0.00 C ATOM 61 CG GLU A 7 11.479 13.624 -3.064 1.00 0.00 C ATOM 62 CD GLU A 7 12.168 13.458 -1.701 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.279 14.449 -0.937 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.640 12.331 -1.412 1.00 0.00 O ATOM 0 H GLU A 7 7.550 13.083 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 7 9.397 14.504 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.590 14.341 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.708 12.595 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.847 12.863 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.744 14.592 -3.489 1.00 0.00 H new ATOM 71 N LYS A 8 9.334 11.207 -5.102 1.00 0.00 N ATOM 72 CA LYS A 8 9.675 10.031 -5.908 1.00 0.00 C ATOM 73 C LYS A 8 8.393 9.275 -6.265 1.00 0.00 C ATOM 74 O LYS A 8 7.504 9.132 -5.426 1.00 0.00 O ATOM 75 CB LYS A 8 10.607 9.104 -5.103 1.00 0.00 C ATOM 76 CG LYS A 8 11.898 9.775 -4.604 1.00 0.00 C ATOM 77 CD LYS A 8 12.852 8.738 -3.992 1.00 0.00 C ATOM 78 CE LYS A 8 14.132 9.375 -3.430 1.00 0.00 C ATOM 79 NZ LYS A 8 13.936 9.980 -2.085 1.00 0.00 N ATOM 0 H LYS A 8 8.685 10.977 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 8 10.181 10.349 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.059 8.716 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.874 8.249 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.391 10.285 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.654 10.534 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.337 8.201 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.119 8.003 -4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.913 8.617 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.483 10.142 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.862 10.164 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.414 10.875 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.395 9.325 -1.485 1.00 0.00 H new ATOM 93 N GLU A 9 8.309 8.757 -7.488 1.00 0.00 N ATOM 94 CA GLU A 9 7.189 7.918 -7.943 1.00 0.00 C ATOM 95 C GLU A 9 7.414 6.476 -7.460 1.00 0.00 C ATOM 96 O GLU A 9 8.448 5.881 -7.772 1.00 0.00 O ATOM 97 CB GLU A 9 7.111 7.937 -9.483 1.00 0.00 C ATOM 98 CG GLU A 9 6.416 9.184 -10.039 1.00 0.00 C ATOM 99 CD GLU A 9 6.956 9.546 -11.438 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.427 9.029 -12.452 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.916 10.349 -11.534 1.00 0.00 O ATOM 0 H GLU A 9 9.021 8.906 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 9 6.256 8.305 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.120 7.879 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.578 7.050 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.341 9.010 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.569 10.022 -9.359 1.00 0.00 H new ATOM 108 N TYR A 10 6.455 5.909 -6.715 1.00 0.00 N ATOM 109 CA TYR A 10 6.513 4.541 -6.167 1.00 0.00 C ATOM 110 C TYR A 10 7.864 4.215 -5.488 1.00 0.00 C ATOM 111 O TYR A 10 8.571 3.290 -5.906 1.00 0.00 O ATOM 112 CB TYR A 10 6.104 3.500 -7.228 1.00 0.00 C ATOM 113 CG TYR A 10 4.749 3.710 -7.888 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.572 4.734 -8.843 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.660 2.877 -7.550 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.317 4.950 -9.434 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.394 3.107 -8.127 1.00 0.00 C ATOM 118 CZ TYR A 10 2.219 4.136 -9.077 1.00 0.00 C ATOM 119 OH TYR A 10 0.994 4.340 -9.635 1.00 0.00 O ATOM 0 H TYR A 10 5.595 6.399 -6.469 1.00 0.00 H new ATOM 0 HA TYR A 10 5.778 4.487 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.866 3.487 -8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.109 2.515 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.409 5.357 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.796 2.065 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.191 5.738 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.554 2.492 -7.840 1.00 0.00 H new ATOM 0 HH TYR A 10 0.358 3.688 -9.274 1.00 0.00 H new ATOM 129 N PRO A 11 8.246 4.968 -4.436 1.00 0.00 N ATOM 130 CA PRO A 11 9.505 4.763 -3.717 1.00 0.00 C ATOM 131 C PRO A 11 9.551 3.381 -3.052 1.00 0.00 C ATOM 132 O PRO A 11 8.526 2.886 -2.590 1.00 0.00 O ATOM 133 CB PRO A 11 9.536 5.883 -2.669 1.00 0.00 C ATOM 134 CG PRO A 11 8.065 6.188 -2.416 1.00 0.00 C ATOM 135 CD PRO A 11 7.484 6.048 -3.818 1.00 0.00 C ATOM 0 HA PRO A 11 10.367 4.796 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.040 5.563 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.068 6.760 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.615 5.487 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.917 7.188 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.421 5.811 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.585 6.975 -4.382 1.00 0.00 H new ATOM 143 N ASN A 12 10.714 2.738 -2.946 1.00 0.00 N ATOM 144 CA ASN A 12 10.797 1.468 -2.221 1.00 0.00 C ATOM 145 C ASN A 12 10.808 1.744 -0.705 1.00 0.00 C ATOM 146 O ASN A 12 11.345 2.760 -0.256 1.00 0.00 O ATOM 147 CB ASN A 12 12.032 0.677 -2.680 1.00 0.00 C ATOM 148 CG ASN A 12 11.999 0.300 -4.155 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.906 0.612 -4.915 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.965 -0.366 -4.620 1.00 0.00 N ATOM 0 H ASN A 12 11.595 3.066 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 12 9.924 0.853 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.926 1.269 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.114 -0.231 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.923 -0.619 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.205 -0.630 -3.993 1.00 0.00 H new ATOM 157 N ARG A 13 10.198 0.849 0.087 1.00 0.00 N ATOM 158 CA ARG A 13 10.008 1.016 1.546 1.00 0.00 C ATOM 159 C ARG A 13 10.674 -0.057 2.407 1.00 0.00 C ATOM 160 O ARG A 13 10.188 -0.378 3.491 1.00 0.00 O ATOM 161 CB ARG A 13 8.497 1.146 1.839 1.00 0.00 C ATOM 162 CG ARG A 13 7.813 2.315 1.117 1.00 0.00 C ATOM 163 CD ARG A 13 8.391 3.693 1.478 1.00 0.00 C ATOM 164 NE ARG A 13 8.258 3.996 2.919 1.00 0.00 N ATOM 165 CZ ARG A 13 7.146 4.293 3.572 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.995 4.417 2.977 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.171 4.456 4.864 1.00 0.00 N ATOM 0 H ARG A 13 9.815 -0.027 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 13 10.526 1.930 1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.002 0.218 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.356 1.265 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.900 2.166 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.749 2.304 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.444 3.728 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.880 4.462 0.898 1.00 0.00 H new ATOM 0 HE ARG A 13 9.116 3.974 3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.925 4.284 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.163 4.647 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.049 4.355 5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.313 4.685 5.366 1.00 0.00 H new ATOM 181 N GLY A 14 11.767 -0.645 1.923 1.00 0.00 N ATOM 182 CA GLY A 14 12.493 -1.698 2.647 1.00 0.00 C ATOM 183 C GLY A 14 11.603 -2.912 2.943 1.00 0.00 C ATOM 184 O GLY A 14 11.594 -3.429 4.062 1.00 0.00 O ATOM 0 H GLY A 14 12.177 -0.408 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.354 -2.015 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.878 -1.294 3.583 1.00 0.00 H new ATOM 188 N ASN A 15 10.828 -3.327 1.931 1.00 0.00 N ATOM 189 CA ASN A 15 9.886 -4.452 1.955 1.00 0.00 C ATOM 190 C ASN A 15 8.647 -4.236 2.874 1.00 0.00 C ATOM 191 O ASN A 15 8.030 -5.205 3.319 1.00 0.00 O ATOM 192 CB ASN A 15 10.653 -5.772 2.228 1.00 0.00 C ATOM 193 CG ASN A 15 11.927 -5.944 1.408 1.00 0.00 C ATOM 194 OD1 ASN A 15 13.017 -5.546 1.801 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.845 -6.545 0.244 1.00 0.00 N ATOM 0 H ASN A 15 10.843 -2.860 1.024 1.00 0.00 H new ATOM 0 HA ASN A 15 9.436 -4.524 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.909 -5.817 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.989 -6.612 2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.683 -6.676 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.943 -6.881 -0.094 1.00 0.00 H new ATOM 202 N THR A 16 8.258 -2.985 3.169 1.00 0.00 N ATOM 203 CA THR A 16 7.092 -2.650 4.022 1.00 0.00 C ATOM 204 C THR A 16 5.809 -2.552 3.184 1.00 0.00 C ATOM 205 O THR A 16 5.746 -1.712 2.288 1.00 0.00 O ATOM 206 CB THR A 16 7.338 -1.305 4.735 1.00 0.00 C ATOM 207 OG1 THR A 16 8.465 -1.403 5.582 1.00 0.00 O ATOM 208 CG2 THR A 16 6.172 -0.829 5.600 1.00 0.00 C ATOM 0 H THR A 16 8.748 -2.161 2.819 1.00 0.00 H new ATOM 0 HA THR A 16 6.969 -3.444 4.758 1.00 0.00 H new ATOM 0 HB THR A 16 7.481 -0.584 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.260 -1.084 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.429 0.123 6.064 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.286 -0.702 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.969 -1.568 6.375 1.00 0.00 H new ATOM 216 N CYS A 17 4.779 -3.367 3.461 1.00 0.00 N ATOM 217 CA CYS A 17 3.509 -3.383 2.722 1.00 0.00 C ATOM 218 C CYS A 17 2.326 -3.106 3.671 1.00 0.00 C ATOM 219 O CYS A 17 2.004 -3.937 4.523 1.00 0.00 O ATOM 220 CB CYS A 17 3.361 -4.744 2.022 1.00 0.00 C ATOM 221 SG CYS A 17 4.780 -5.113 0.947 1.00 0.00 S ATOM 0 H CYS A 17 4.808 -4.047 4.221 1.00 0.00 H new ATOM 0 HA CYS A 17 3.508 -2.595 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.260 -5.529 2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.446 -4.750 1.430 1.00 0.00 H new ATOM 0 HG CYS A 17 4.579 -4.596 -0.229 1.00 0.00 H new ATOM 227 N LEU A 18 1.700 -1.930 3.535 1.00 0.00 N ATOM 228 CA LEU A 18 0.608 -1.419 4.382 1.00 0.00 C ATOM 229 C LEU A 18 -0.693 -1.158 3.614 1.00 0.00 C ATOM 230 O LEU A 18 -0.693 -0.700 2.470 1.00 0.00 O ATOM 231 CB LEU A 18 1.083 -0.118 5.072 1.00 0.00 C ATOM 232 CG LEU A 18 1.772 -0.267 6.440 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.827 -1.365 6.499 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.429 1.059 6.825 1.00 0.00 C ATOM 0 H LEU A 18 1.952 -1.274 2.795 1.00 0.00 H new ATOM 0 HA LEU A 18 0.376 -2.192 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.773 0.391 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.219 0.535 5.197 1.00 0.00 H new ATOM 0 HG LEU A 18 0.985 -0.551 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.261 -1.400 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.366 -2.326 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.611 -1.156 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.918 0.955 7.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.169 1.330 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.669 1.838 6.884 1.00 0.00 H new ATOM 246 N GLU A 19 -1.807 -1.402 4.303 1.00 0.00 N ATOM 247 CA GLU A 19 -3.182 -1.168 3.850 1.00 0.00 C ATOM 248 C GLU A 19 -3.741 0.199 4.285 1.00 0.00 C ATOM 249 O GLU A 19 -4.872 0.527 3.925 1.00 0.00 O ATOM 250 CB GLU A 19 -4.116 -2.277 4.376 1.00 0.00 C ATOM 251 CG GLU A 19 -4.394 -2.288 5.889 1.00 0.00 C ATOM 252 CD GLU A 19 -3.238 -2.871 6.725 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.238 -2.152 6.965 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.334 -4.043 7.166 1.00 0.00 O ATOM 0 H GLU A 19 -1.775 -1.790 5.246 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.146 -1.179 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.070 -2.193 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.687 -3.241 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.593 -1.269 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.297 -2.867 6.080 1.00 0.00 H new ATOM 261 N ASN A 20 -2.996 0.978 5.079 1.00 0.00 N ATOM 262 CA ASN A 20 -3.424 2.289 5.589 1.00 0.00 C ATOM 263 C ASN A 20 -2.249 3.271 5.776 1.00 0.00 C ATOM 264 O ASN A 20 -1.115 2.859 6.034 1.00 0.00 O ATOM 265 CB ASN A 20 -4.160 2.103 6.936 1.00 0.00 C ATOM 266 CG ASN A 20 -5.638 1.782 6.787 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.370 2.423 6.044 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.138 0.801 7.503 1.00 0.00 N ATOM 0 H ASN A 20 -2.062 0.711 5.391 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.090 2.723 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.678 1.301 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.053 3.013 7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.131 0.577 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.533 0.263 8.124 1.00 0.00 H new ATOM 275 N GLY A 21 -2.548 4.575 5.690 1.00 0.00 N ATOM 276 CA GLY A 21 -1.605 5.686 5.890 1.00 0.00 C ATOM 277 C GLY A 21 -1.439 6.606 4.670 1.00 0.00 C ATOM 278 O GLY A 21 -2.117 6.440 3.656 1.00 0.00 O ATOM 0 H GLY A 21 -3.490 4.898 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.941 6.284 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.631 5.276 6.156 1.00 0.00 H new ATOM 282 N SER A 22 -0.522 7.574 4.793 1.00 0.00 N ATOM 283 CA SER A 22 -0.101 8.551 3.769 1.00 0.00 C ATOM 284 C SER A 22 1.356 8.939 4.044 1.00 0.00 C ATOM 285 O SER A 22 1.671 9.430 5.132 1.00 0.00 O ATOM 286 CB SER A 22 -0.961 9.824 3.792 1.00 0.00 C ATOM 287 OG SER A 22 -2.277 9.575 3.323 1.00 0.00 O ATOM 0 H SER A 22 -0.017 7.708 5.669 1.00 0.00 H new ATOM 0 HA SER A 22 -0.218 8.088 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.005 10.216 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.493 10.591 3.174 1.00 0.00 H new ATOM 0 HG SER A 22 -2.236 9.200 2.419 1.00 0.00 H new ATOM 293 N PHE A 23 2.269 8.676 3.106 1.00 0.00 N ATOM 294 CA PHE A 23 3.715 8.886 3.278 1.00 0.00 C ATOM 295 C PHE A 23 4.188 10.348 3.200 1.00 0.00 C ATOM 296 O PHE A 23 4.750 10.807 2.205 1.00 0.00 O ATOM 297 CB PHE A 23 4.462 7.942 2.331 1.00 0.00 C ATOM 298 CG PHE A 23 5.962 7.775 2.534 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.562 7.901 3.805 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.761 7.407 1.435 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.943 7.686 3.957 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.147 7.220 1.582 1.00 0.00 C ATOM 303 CZ PHE A 23 8.744 7.384 2.844 1.00 0.00 C ATOM 0 H PHE A 23 2.023 8.305 2.188 1.00 0.00 H new ATOM 0 HA PHE A 23 3.961 8.635 4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.002 6.957 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.299 8.292 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.959 8.163 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.304 7.267 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.391 7.754 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.751 6.951 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.813 7.278 2.957 1.00 0.00 H new ATOM 313 N LEU A 24 3.963 11.094 4.282 1.00 0.00 N ATOM 314 CA LEU A 24 4.297 12.516 4.428 1.00 0.00 C ATOM 315 C LEU A 24 5.759 12.896 4.109 1.00 0.00 C ATOM 316 O LEU A 24 6.029 14.038 3.735 1.00 0.00 O ATOM 317 CB LEU A 24 3.930 12.989 5.847 1.00 0.00 C ATOM 318 CG LEU A 24 2.480 12.735 6.308 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.236 13.435 7.645 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.429 13.226 5.312 1.00 0.00 C ATOM 0 H LEU A 24 3.524 10.709 5.118 1.00 0.00 H new ATOM 0 HA LEU A 24 3.704 13.028 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.602 12.501 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.125 14.060 5.910 1.00 0.00 H new ATOM 0 HG LEU A 24 2.373 11.654 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.211 13.254 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.927 13.044 8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.396 14.507 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.433 13.015 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.541 14.300 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.563 12.713 4.359 1.00 0.00 H new ATOM 332 N LEU A 25 6.699 11.956 4.238 1.00 0.00 N ATOM 333 CA LEU A 25 8.121 12.143 3.903 1.00 0.00 C ATOM 334 C LEU A 25 8.390 12.141 2.380 1.00 0.00 C ATOM 335 O LEU A 25 9.430 12.645 1.948 1.00 0.00 O ATOM 336 CB LEU A 25 8.954 11.063 4.619 1.00 0.00 C ATOM 337 CG LEU A 25 9.162 11.319 6.125 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.823 10.100 6.771 1.00 0.00 C ATOM 339 CD2 LEU A 25 10.057 12.532 6.398 1.00 0.00 C ATOM 0 H LEU A 25 6.492 11.020 4.586 1.00 0.00 H new ATOM 0 HA LEU A 25 8.420 13.132 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.464 10.098 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.929 10.993 4.136 1.00 0.00 H new ATOM 0 HG LEU A 25 8.175 11.511 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.968 10.286 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.184 9.227 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.789 9.917 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.170 12.666 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.036 12.370 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.602 13.424 5.967 1.00 0.00 H new ATOM 351 N ASN A 26 7.456 11.637 1.564 1.00 0.00 N ATOM 352 CA ASN A 26 7.520 11.654 0.096 1.00 0.00 C ATOM 353 C ASN A 26 6.571 12.726 -0.459 1.00 0.00 C ATOM 354 O ASN A 26 6.872 13.331 -1.482 1.00 0.00 O ATOM 355 CB ASN A 26 7.152 10.261 -0.438 1.00 0.00 C ATOM 356 CG ASN A 26 7.382 10.122 -1.939 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.277 10.706 -2.514 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.617 9.336 -2.646 1.00 0.00 N ATOM 0 H ASN A 26 6.609 11.192 1.917 1.00 0.00 H new ATOM 0 HA ASN A 26 8.531 11.901 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.742 9.509 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.105 10.057 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.782 9.229 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.854 8.828 -2.198 1.00 0.00 H new ATOM 365 N PHE A 27 5.439 12.990 0.202 1.00 0.00 N ATOM 366 CA PHE A 27 4.502 14.043 -0.221 1.00 0.00 C ATOM 367 C PHE A 27 5.132 15.439 -0.092 1.00 0.00 C ATOM 368 O PHE A 27 5.244 15.988 1.005 1.00 0.00 O ATOM 369 CB PHE A 27 3.195 13.968 0.572 1.00 0.00 C ATOM 370 CG PHE A 27 2.145 14.993 0.153 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.692 15.048 -1.181 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.605 15.885 1.100 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.677 15.949 -1.563 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.597 16.790 0.721 1.00 0.00 C ATOM 375 CZ PHE A 27 0.118 16.805 -0.600 1.00 0.00 C ATOM 0 H PHE A 27 5.146 12.486 1.039 1.00 0.00 H new ATOM 0 HA PHE A 27 4.274 13.873 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.774 12.969 0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.418 14.105 1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.128 14.392 -1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.965 15.874 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.333 15.981 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.189 17.476 1.448 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.682 17.476 -0.875 1.00 0.00 H new ATOM 385 N THR A 28 5.519 16.050 -1.208 1.00 0.00 N ATOM 386 CA THR A 28 6.129 17.399 -1.234 1.00 0.00 C ATOM 387 C THR A 28 5.091 18.523 -1.153 1.00 0.00 C ATOM 388 O THR A 28 5.448 19.702 -1.091 1.00 0.00 O ATOM 389 CB THR A 28 7.005 17.598 -2.484 1.00 0.00 C ATOM 390 OG1 THR A 28 6.330 17.248 -3.672 1.00 0.00 O ATOM 391 CG2 THR A 28 8.243 16.708 -2.416 1.00 0.00 C ATOM 0 H THR A 28 5.422 15.630 -2.132 1.00 0.00 H new ATOM 0 HA THR A 28 6.754 17.457 -0.343 1.00 0.00 H new ATOM 0 HB THR A 28 7.266 18.656 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.923 17.391 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.851 16.862 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.826 16.963 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.937 15.663 -2.361 1.00 0.00 H new ATOM 399 N GLY A 29 3.808 18.163 -1.172 1.00 0.00 N ATOM 400 CA GLY A 29 2.667 19.068 -1.207 1.00 0.00 C ATOM 401 C GLY A 29 2.096 19.105 -2.628 1.00 0.00 C ATOM 402 O GLY A 29 2.846 18.938 -3.598 1.00 0.00 O ATOM 0 H GLY A 29 3.526 17.183 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.903 18.736 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.971 20.068 -0.899 1.00 0.00 H new ATOM 406 N CYS A 30 0.786 19.315 -2.740 1.00 0.00 N ATOM 407 CA CYS A 30 0.041 19.332 -3.992 1.00 0.00 C ATOM 408 C CYS A 30 0.611 20.286 -5.046 1.00 0.00 C ATOM 409 O CYS A 30 1.391 21.203 -4.752 1.00 0.00 O ATOM 410 CB CYS A 30 -1.441 19.641 -3.691 1.00 0.00 C ATOM 411 SG CYS A 30 -2.571 19.193 -5.072 1.00 0.00 S ATOM 0 H CYS A 30 0.193 19.484 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 30 0.135 18.342 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.743 19.101 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.547 20.704 -3.474 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.783 19.559 -4.777 1.00 0.00 H new ATOM 416 N ALA A 31 0.152 20.110 -6.273 1.00 0.00 N ATOM 417 CA ALA A 31 0.443 20.993 -7.393 1.00 0.00 C ATOM 418 C ALA A 31 -0.837 21.520 -8.071 1.00 0.00 C ATOM 419 O ALA A 31 -0.747 22.493 -8.830 1.00 0.00 O ATOM 420 CB ALA A 31 1.433 20.354 -8.369 1.00 0.00 C ATOM 0 H ALA A 31 -0.451 19.327 -6.526 1.00 0.00 H new ATOM 0 HA ALA A 31 0.940 21.877 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.627 21.041 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.367 20.137 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.012 19.428 -8.761 1.00 0.00 H new ATOM 426 N VAL A 32 -2.026 20.980 -7.760 1.00 0.00 N ATOM 427 CA VAL A 32 -3.296 21.548 -8.234 1.00 0.00 C ATOM 428 C VAL A 32 -3.589 22.841 -7.453 1.00 0.00 C ATOM 429 O VAL A 32 -4.114 23.797 -8.037 1.00 0.00 O ATOM 430 CB VAL A 32 -4.473 20.541 -8.126 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.869 21.168 -8.300 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.387 19.457 -9.210 1.00 0.00 C ATOM 0 H VAL A 32 -2.133 20.148 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.197 21.778 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.368 20.144 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.630 20.393 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.027 21.923 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.939 21.632 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.226 18.770 -9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.422 19.923 -10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.452 18.907 -9.102 1.00 0.00 H new ATOM 442 N CYS A 33 -3.220 22.894 -6.165 1.00 0.00 N ATOM 443 CA CYS A 33 -3.439 24.022 -5.255 1.00 0.00 C ATOM 444 C CYS A 33 -2.218 24.484 -4.415 1.00 0.00 C ATOM 445 O CYS A 33 -2.249 25.595 -3.871 1.00 0.00 O ATOM 446 CB CYS A 33 -4.581 23.639 -4.315 1.00 0.00 C ATOM 447 SG CYS A 33 -4.051 22.288 -3.209 1.00 0.00 S ATOM 0 H CYS A 33 -2.740 22.117 -5.712 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.663 24.879 -5.890 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.884 24.505 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.450 23.327 -4.894 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.538 21.325 -3.915 1.00 0.00 H new ATOM 452 N SER A 34 -1.148 23.678 -4.323 1.00 0.00 N ATOM 453 CA SER A 34 0.107 23.971 -3.588 1.00 0.00 C ATOM 454 C SER A 34 0.080 23.717 -2.055 1.00 0.00 C ATOM 455 O SER A 34 0.877 24.309 -1.316 1.00 0.00 O ATOM 456 CB SER A 34 0.659 25.363 -3.961 1.00 0.00 C ATOM 457 OG SER A 34 2.077 25.408 -3.864 1.00 0.00 O ATOM 0 H SER A 34 -1.126 22.764 -4.776 1.00 0.00 H new ATOM 0 HA SER A 34 0.812 23.216 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.355 25.615 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.225 26.115 -3.303 1.00 0.00 H new ATOM 0 HG SER A 34 2.357 25.057 -2.993 1.00 0.00 H new ATOM 463 N LYS A 35 -0.805 22.852 -1.525 1.00 0.00 N ATOM 464 CA LYS A 35 -0.904 22.543 -0.073 1.00 0.00 C ATOM 465 C LYS A 35 -0.120 21.289 0.353 1.00 0.00 C ATOM 466 O LYS A 35 -0.189 20.254 -0.304 1.00 0.00 O ATOM 467 CB LYS A 35 -2.383 22.353 0.307 1.00 0.00 C ATOM 468 CG LYS A 35 -3.146 23.687 0.391 1.00 0.00 C ATOM 469 CD LYS A 35 -3.646 23.951 1.812 1.00 0.00 C ATOM 470 CE LYS A 35 -4.253 25.356 1.904 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.685 25.679 3.289 1.00 0.00 N ATOM 0 H LYS A 35 -1.481 22.340 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.458 23.389 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.864 21.709 -0.429 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.445 21.841 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.495 24.502 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.991 23.669 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.392 23.205 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.822 23.855 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.521 26.091 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.107 25.428 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.589 26.192 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.803 24.799 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.965 26.273 3.748 1.00 0.00 H new ATOM 485 N ARG A 36 0.561 21.347 1.506 1.00 0.00 N ATOM 486 CA ARG A 36 1.286 20.223 2.151 1.00 0.00 C ATOM 487 C ARG A 36 0.589 19.849 3.470 1.00 0.00 C ATOM 488 O ARG A 36 -0.206 20.634 3.978 1.00 0.00 O ATOM 489 CB ARG A 36 2.772 20.572 2.308 1.00 0.00 C ATOM 490 CG ARG A 36 3.606 19.413 2.886 1.00 0.00 C ATOM 491 CD ARG A 36 5.092 19.545 2.540 1.00 0.00 C ATOM 492 NE ARG A 36 5.962 19.153 3.671 1.00 0.00 N ATOM 493 CZ ARG A 36 6.217 17.938 4.131 1.00 0.00 C ATOM 494 NH1 ARG A 36 5.789 16.859 3.547 1.00 0.00 N ATOM 495 NH2 ARG A 36 6.921 17.778 5.214 1.00 0.00 N ATOM 0 H ARG A 36 0.630 22.211 2.044 1.00 0.00 H new ATOM 0 HA ARG A 36 1.254 19.334 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.178 20.855 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.868 21.441 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.487 19.386 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.227 18.467 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.319 18.922 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.308 20.575 2.257 1.00 0.00 H new ATOM 0 HE ARG A 36 6.426 19.919 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.231 16.927 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.011 15.944 3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.280 18.592 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.114 16.839 5.563 1.00 0.00 H new ATOM 509 N ASP A 37 0.851 18.648 4.001 1.00 0.00 N ATOM 510 CA ASP A 37 0.229 18.066 5.215 1.00 0.00 C ATOM 511 C ASP A 37 -1.318 18.078 5.228 1.00 0.00 C ATOM 512 O ASP A 37 -1.980 18.072 6.267 1.00 0.00 O ATOM 513 CB ASP A 37 0.887 18.584 6.501 1.00 0.00 C ATOM 514 CG ASP A 37 0.708 20.081 6.820 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.296 20.464 7.468 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.635 20.872 6.513 1.00 0.00 O ATOM 0 H ASP A 37 1.535 18.018 3.581 1.00 0.00 H new ATOM 0 HA ASP A 37 0.448 16.999 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.493 18.009 7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.955 18.374 6.444 1.00 0.00 H new ATOM 521 N PHE A 38 -1.880 18.070 4.021 1.00 0.00 N ATOM 522 CA PHE A 38 -3.297 18.122 3.673 1.00 0.00 C ATOM 523 C PHE A 38 -3.699 16.917 2.817 1.00 0.00 C ATOM 524 O PHE A 38 -3.515 16.908 1.601 1.00 0.00 O ATOM 525 CB PHE A 38 -3.623 19.445 2.961 1.00 0.00 C ATOM 526 CG PHE A 38 -4.045 20.594 3.864 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.259 21.016 4.953 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.271 21.238 3.613 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.680 22.093 5.755 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.691 22.318 4.406 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.894 22.748 5.481 1.00 0.00 C ATOM 0 H PHE A 38 -1.299 18.022 3.184 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.880 18.077 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.746 19.756 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.420 19.262 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.330 20.512 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.896 20.897 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.069 22.418 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.624 22.817 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.213 23.578 6.094 1.00 0.00 H new ATOM 541 N MET A 39 -4.288 15.909 3.458 1.00 0.00 N ATOM 542 CA MET A 39 -4.799 14.708 2.780 1.00 0.00 C ATOM 543 C MET A 39 -5.819 13.899 3.593 1.00 0.00 C ATOM 544 O MET A 39 -5.774 13.830 4.822 1.00 0.00 O ATOM 545 CB MET A 39 -3.670 13.773 2.298 1.00 0.00 C ATOM 546 CG MET A 39 -2.577 13.491 3.343 1.00 0.00 C ATOM 547 SD MET A 39 -0.921 14.096 2.920 1.00 0.00 S ATOM 548 CE MET A 39 -0.587 13.110 1.433 1.00 0.00 C ATOM 0 H MET A 39 -4.427 15.898 4.468 1.00 0.00 H new ATOM 0 HA MET A 39 -5.327 15.111 1.916 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.110 12.825 1.988 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.205 14.213 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.879 13.940 4.289 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.522 12.414 3.504 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.483 12.918 1.356 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.122 12.162 1.497 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.922 13.657 0.551 1.00 0.00 H new ATOM 558 N LEU A 40 -6.708 13.259 2.835 1.00 0.00 N ATOM 559 CA LEU A 40 -7.812 12.368 3.192 1.00 0.00 C ATOM 560 C LEU A 40 -7.680 11.059 2.392 1.00 0.00 C ATOM 561 O LEU A 40 -6.965 10.997 1.389 1.00 0.00 O ATOM 562 CB LEU A 40 -9.144 13.067 2.821 1.00 0.00 C ATOM 563 CG LEU A 40 -9.835 13.955 3.873 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.807 13.133 4.722 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.900 14.660 4.839 1.00 0.00 C ATOM 0 H LEU A 40 -6.664 13.368 1.822 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.791 12.145 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.960 13.682 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.852 12.292 2.527 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.338 14.716 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.284 13.780 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.569 12.692 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.262 12.340 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.483 15.259 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.321 13.919 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.223 15.308 4.283 1.00 0.00 H new ATOM 577 N ILE A 41 -8.426 10.032 2.801 1.00 0.00 N ATOM 578 CA ILE A 41 -8.527 8.732 2.131 1.00 0.00 C ATOM 579 C ILE A 41 -10.017 8.456 1.924 1.00 0.00 C ATOM 580 O ILE A 41 -10.824 8.631 2.841 1.00 0.00 O ATOM 581 CB ILE A 41 -7.855 7.623 2.971 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.323 7.835 3.035 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.198 6.225 2.410 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.616 6.938 4.062 1.00 0.00 C ATOM 0 H ILE A 41 -9.000 10.084 3.642 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.006 8.745 1.173 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.246 7.682 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.898 7.647 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.120 8.878 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.714 5.460 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.278 6.078 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.845 6.149 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.546 7.144 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.013 7.141 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.787 5.891 3.810 1.00 0.00 H new ATOM 596 N THR A 42 -10.382 8.010 0.724 1.00 0.00 N ATOM 597 CA THR A 42 -11.766 7.660 0.370 1.00 0.00 C ATOM 598 C THR A 42 -11.805 6.545 -0.670 1.00 0.00 C ATOM 599 O THR A 42 -10.758 6.119 -1.166 1.00 0.00 O ATOM 600 CB THR A 42 -12.546 8.901 -0.112 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.908 8.728 0.220 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.488 9.175 -1.618 1.00 0.00 C ATOM 0 H THR A 42 -9.722 7.878 -0.042 1.00 0.00 H new ATOM 0 HA THR A 42 -12.256 7.288 1.270 1.00 0.00 H new ATOM 0 HB THR A 42 -12.069 9.748 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.419 9.509 -0.078 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.069 10.068 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.452 9.328 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.902 8.324 -2.159 1.00 0.00 H new ATOM 610 N ASN A 43 -13.017 6.105 -1.031 1.00 0.00 N ATOM 611 CA ASN A 43 -13.272 5.132 -2.102 1.00 0.00 C ATOM 612 C ASN A 43 -12.548 3.771 -1.896 1.00 0.00 C ATOM 613 O ASN A 43 -12.393 2.971 -2.821 1.00 0.00 O ATOM 614 CB ASN A 43 -12.998 5.911 -3.411 1.00 0.00 C ATOM 615 CG ASN A 43 -13.089 5.120 -4.699 1.00 0.00 C ATOM 616 OD1 ASN A 43 -14.108 4.530 -5.034 1.00 0.00 O ATOM 617 ND2 ASN A 43 -12.032 5.129 -5.477 1.00 0.00 N ATOM 0 H ASN A 43 -13.871 6.424 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.299 4.767 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.704 6.740 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.000 6.346 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.054 4.641 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.189 5.624 -5.186 1.00 0.00 H new ATOM 624 N LYS A 44 -12.118 3.508 -0.652 1.00 0.00 N ATOM 625 CA LYS A 44 -11.422 2.302 -0.193 1.00 0.00 C ATOM 626 C LYS A 44 -12.227 1.026 -0.453 1.00 0.00 C ATOM 627 O LYS A 44 -13.282 0.805 0.146 1.00 0.00 O ATOM 628 CB LYS A 44 -11.106 2.454 1.305 1.00 0.00 C ATOM 629 CG LYS A 44 -10.053 1.448 1.792 1.00 0.00 C ATOM 630 CD LYS A 44 -9.877 1.496 3.317 1.00 0.00 C ATOM 631 CE LYS A 44 -8.599 0.757 3.735 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.390 1.601 3.545 1.00 0.00 N ATOM 0 H LYS A 44 -12.257 4.176 0.106 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.499 2.200 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.751 3.467 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.022 2.323 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.346 0.442 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.099 1.659 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.830 2.533 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.741 1.043 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.675 0.461 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.500 -0.158 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.579 0.996 3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.558 2.280 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.186 2.118 4.424 1.00 0.00 H new ATOM 646 N SER A 45 -11.700 0.185 -1.332 1.00 0.00 N ATOM 647 CA SER A 45 -12.240 -1.122 -1.693 1.00 0.00 C ATOM 648 C SER A 45 -11.394 -2.261 -1.119 1.00 0.00 C ATOM 649 O SER A 45 -10.196 -2.111 -0.862 1.00 0.00 O ATOM 650 CB SER A 45 -12.316 -1.237 -3.220 1.00 0.00 C ATOM 651 OG SER A 45 -13.286 -0.340 -3.741 1.00 0.00 O ATOM 0 H SER A 45 -10.842 0.405 -1.838 1.00 0.00 H new ATOM 0 HA SER A 45 -13.239 -1.209 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.341 -1.020 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.570 -2.259 -3.501 1.00 0.00 H new ATOM 0 HG SER A 45 -13.320 -0.425 -4.717 1.00 0.00 H new ATOM 657 N LEU A 46 -12.024 -3.424 -0.954 1.00 0.00 N ATOM 658 CA LEU A 46 -11.415 -4.657 -0.457 1.00 0.00 C ATOM 659 C LEU A 46 -11.949 -5.858 -1.249 1.00 0.00 C ATOM 660 O LEU A 46 -13.144 -5.935 -1.554 1.00 0.00 O ATOM 661 CB LEU A 46 -11.632 -4.784 1.062 1.00 0.00 C ATOM 662 CG LEU A 46 -11.213 -6.156 1.650 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.629 -5.985 3.053 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.384 -7.139 1.768 1.00 0.00 C ATOM 0 H LEU A 46 -13.014 -3.537 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.336 -4.631 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.069 -3.998 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.686 -4.613 1.283 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.476 -6.558 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.341 -6.959 3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.752 -5.339 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.377 -5.535 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.028 -8.081 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.148 -6.718 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.810 -7.318 0.781 1.00 0.00 H new ATOM 676 N LYS A 47 -11.046 -6.776 -1.595 1.00 0.00 N ATOM 677 CA LYS A 47 -11.298 -7.988 -2.379 1.00 0.00 C ATOM 678 C LYS A 47 -10.677 -9.212 -1.724 1.00 0.00 C ATOM 679 O LYS A 47 -9.623 -9.105 -1.106 1.00 0.00 O ATOM 680 CB LYS A 47 -10.751 -7.801 -3.802 1.00 0.00 C ATOM 681 CG LYS A 47 -11.789 -8.196 -4.854 1.00 0.00 C ATOM 682 CD LYS A 47 -11.242 -8.222 -6.289 1.00 0.00 C ATOM 683 CE LYS A 47 -10.385 -9.474 -6.511 1.00 0.00 C ATOM 684 NZ LYS A 47 -9.951 -9.622 -7.922 1.00 0.00 N ATOM 0 H LYS A 47 -10.067 -6.691 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.374 -8.154 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.460 -6.761 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.852 -8.404 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.184 -9.182 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.624 -7.497 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.068 -8.208 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.646 -7.328 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.507 -9.428 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.952 -10.356 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.477 -10.540 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.781 -9.574 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.290 -8.856 -8.164 1.00 0.00 H new ATOM 698 N GLU A 48 -11.306 -10.373 -1.855 1.00 0.00 N ATOM 699 CA GLU A 48 -10.753 -11.623 -1.308 1.00 0.00 C ATOM 700 C GLU A 48 -10.948 -12.806 -2.276 1.00 0.00 C ATOM 701 O GLU A 48 -12.079 -13.216 -2.550 1.00 0.00 O ATOM 702 CB GLU A 48 -11.426 -11.940 0.043 1.00 0.00 C ATOM 703 CG GLU A 48 -11.213 -10.885 1.137 1.00 0.00 C ATOM 704 CD GLU A 48 -11.873 -11.342 2.453 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.239 -12.098 3.230 1.00 0.00 O ATOM 706 OE2 GLU A 48 -13.041 -10.963 2.716 1.00 0.00 O ATOM 0 H GLU A 48 -12.200 -10.484 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.682 -11.481 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.497 -12.060 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.049 -12.897 0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.147 -10.723 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.637 -9.932 0.821 1.00 0.00 H new ATOM 713 N GLU A 49 -9.846 -13.382 -2.771 1.00 0.00 N ATOM 714 CA GLU A 49 -9.825 -14.597 -3.604 1.00 0.00 C ATOM 715 C GLU A 49 -9.043 -15.758 -2.969 1.00 0.00 C ATOM 716 O GLU A 49 -7.834 -15.656 -2.795 1.00 0.00 O ATOM 717 CB GLU A 49 -9.280 -14.314 -5.013 1.00 0.00 C ATOM 718 CG GLU A 49 -10.201 -13.414 -5.846 1.00 0.00 C ATOM 719 CD GLU A 49 -9.726 -13.331 -7.309 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.924 -14.306 -8.076 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.183 -12.275 -7.716 1.00 0.00 O ATOM 0 H GLU A 49 -8.914 -13.006 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.867 -14.908 -3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.301 -13.843 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.135 -15.259 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.219 -13.802 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.226 -12.414 -5.412 1.00 0.00 H new ATOM 728 N ASP A 50 -9.676 -16.908 -2.745 1.00 0.00 N ATOM 729 CA ASP A 50 -9.052 -18.180 -2.297 1.00 0.00 C ATOM 730 C ASP A 50 -8.016 -18.129 -1.136 1.00 0.00 C ATOM 731 O ASP A 50 -7.186 -19.029 -0.982 1.00 0.00 O ATOM 732 CB ASP A 50 -8.462 -18.846 -3.558 1.00 0.00 C ATOM 733 CG ASP A 50 -8.207 -20.357 -3.402 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.105 -21.081 -2.904 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.135 -20.842 -3.839 1.00 0.00 O ATOM 0 H ASP A 50 -10.684 -16.997 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.846 -18.758 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.143 -18.686 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.524 -18.353 -3.813 1.00 0.00 H new ATOM 740 N GLY A 51 -8.037 -17.069 -0.324 1.00 0.00 N ATOM 741 CA GLY A 51 -7.104 -16.807 0.790 1.00 0.00 C ATOM 742 C GLY A 51 -6.307 -15.504 0.618 1.00 0.00 C ATOM 743 O GLY A 51 -5.831 -14.938 1.602 1.00 0.00 O ATOM 0 H GLY A 51 -8.735 -16.332 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.666 -16.761 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.409 -17.642 0.877 1.00 0.00 H new ATOM 747 N GLU A 52 -6.195 -15.001 -0.614 1.00 0.00 N ATOM 748 CA GLU A 52 -5.577 -13.715 -0.941 1.00 0.00 C ATOM 749 C GLU A 52 -6.527 -12.587 -0.521 1.00 0.00 C ATOM 750 O GLU A 52 -7.728 -12.651 -0.784 1.00 0.00 O ATOM 751 CB GLU A 52 -5.269 -13.647 -2.456 1.00 0.00 C ATOM 752 CG GLU A 52 -4.699 -12.307 -2.966 1.00 0.00 C ATOM 753 CD GLU A 52 -4.503 -12.261 -4.502 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.907 -13.199 -5.233 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.952 -11.250 -5.004 1.00 0.00 O ATOM 0 H GLU A 52 -6.543 -15.494 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.636 -13.604 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.560 -14.438 -2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.186 -13.862 -3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.369 -11.500 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.741 -12.121 -2.480 1.00 0.00 H new ATOM 762 N GLU A 53 -5.986 -11.534 0.085 1.00 0.00 N ATOM 763 CA GLU A 53 -6.706 -10.331 0.496 1.00 0.00 C ATOM 764 C GLU A 53 -6.129 -9.132 -0.260 1.00 0.00 C ATOM 765 O GLU A 53 -4.917 -8.930 -0.282 1.00 0.00 O ATOM 766 CB GLU A 53 -6.590 -10.109 2.014 1.00 0.00 C ATOM 767 CG GLU A 53 -7.237 -11.229 2.841 1.00 0.00 C ATOM 768 CD GLU A 53 -7.188 -10.911 4.348 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.911 -9.991 4.806 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.434 -11.581 5.094 1.00 0.00 O ATOM 0 H GLU A 53 -4.993 -11.493 0.313 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.764 -10.448 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.537 -10.029 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.058 -9.159 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.273 -11.363 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.722 -12.170 2.649 1.00 0.00 H new ATOM 777 N ILE A 54 -6.983 -8.321 -0.881 1.00 0.00 N ATOM 778 CA ILE A 54 -6.580 -7.159 -1.666 1.00 0.00 C ATOM 779 C ILE A 54 -7.257 -5.910 -1.111 1.00 0.00 C ATOM 780 O ILE A 54 -8.442 -5.943 -0.785 1.00 0.00 O ATOM 781 CB ILE A 54 -6.902 -7.347 -3.169 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.320 -8.658 -3.755 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.291 -6.159 -3.919 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.287 -9.850 -3.738 1.00 0.00 C ATOM 0 H ILE A 54 -7.993 -8.457 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.499 -7.044 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.985 -7.403 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.009 -8.474 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.425 -8.925 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.498 -6.256 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.727 -5.231 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.213 -6.143 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.795 -10.723 -4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.580 -10.066 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.173 -9.608 -4.325 1.00 0.00 H new ATOM 796 N VAL A 55 -6.519 -4.803 -1.028 1.00 0.00 N ATOM 797 CA VAL A 55 -7.015 -3.501 -0.571 1.00 0.00 C ATOM 798 C VAL A 55 -6.563 -2.427 -1.552 1.00 0.00 C ATOM 799 O VAL A 55 -5.365 -2.200 -1.725 1.00 0.00 O ATOM 800 CB VAL A 55 -6.472 -3.180 0.834 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.041 -1.861 1.357 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.796 -4.293 1.837 1.00 0.00 C ATOM 0 H VAL A 55 -5.532 -4.785 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.104 -3.529 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.390 -3.097 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.640 -1.660 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.762 -1.051 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.127 -1.929 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.396 -4.028 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.877 -4.416 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.346 -5.227 1.502 1.00 0.00 H new ATOM 812 N THR A 56 -7.513 -1.749 -2.190 1.00 0.00 N ATOM 813 CA THR A 56 -7.240 -0.644 -3.122 1.00 0.00 C ATOM 814 C THR A 56 -7.931 0.653 -2.680 1.00 0.00 C ATOM 815 O THR A 56 -9.098 0.630 -2.294 1.00 0.00 O ATOM 816 CB THR A 56 -7.529 -1.048 -4.576 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.904 -1.286 -4.789 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.781 -2.337 -4.953 1.00 0.00 C ATOM 0 H THR A 56 -8.507 -1.949 -2.077 1.00 0.00 H new ATOM 0 HA THR A 56 -6.173 -0.425 -3.090 1.00 0.00 H new ATOM 0 HB THR A 56 -7.193 -0.214 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.051 -1.539 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.005 -2.598 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.708 -2.181 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.099 -3.147 -4.297 1.00 0.00 H new ATOM 826 N TYR A 57 -7.242 1.795 -2.717 1.00 0.00 N ATOM 827 CA TYR A 57 -7.802 3.105 -2.334 1.00 0.00 C ATOM 828 C TYR A 57 -7.111 4.285 -3.040 1.00 0.00 C ATOM 829 O TYR A 57 -6.315 4.104 -3.967 1.00 0.00 O ATOM 830 CB TYR A 57 -7.814 3.263 -0.806 1.00 0.00 C ATOM 831 CG TYR A 57 -6.489 3.303 -0.063 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.901 2.104 0.384 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.902 4.537 0.283 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.758 2.142 1.205 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.761 4.579 1.105 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.196 3.381 1.588 1.00 0.00 C ATOM 837 OH TYR A 57 -3.139 3.418 2.446 1.00 0.00 O ATOM 0 H TYR A 57 -6.268 1.843 -3.016 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.835 3.128 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.350 4.183 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.399 2.441 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.327 1.154 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.331 5.457 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.309 1.220 1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.318 5.529 1.366 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.877 4.349 2.602 1.00 0.00 H new ATOM 847 N ASP A 58 -7.393 5.506 -2.586 1.00 0.00 N ATOM 848 CA ASP A 58 -6.839 6.738 -3.131 1.00 0.00 C ATOM 849 C ASP A 58 -6.542 7.729 -1.997 1.00 0.00 C ATOM 850 O ASP A 58 -7.176 7.699 -0.937 1.00 0.00 O ATOM 851 CB ASP A 58 -7.907 7.436 -4.000 1.00 0.00 C ATOM 852 CG ASP A 58 -8.493 6.603 -5.146 1.00 0.00 C ATOM 853 OD1 ASP A 58 -9.427 5.809 -4.888 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.100 6.812 -6.315 1.00 0.00 O ATOM 0 H ASP A 58 -8.032 5.666 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.941 6.481 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.725 7.751 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.469 8.340 -4.422 1.00 0.00 H new ATOM 859 N HIS A 59 -5.650 8.674 -2.276 1.00 0.00 N ATOM 860 CA HIS A 59 -5.333 9.804 -1.406 1.00 0.00 C ATOM 861 C HIS A 59 -5.929 11.044 -2.077 1.00 0.00 C ATOM 862 O HIS A 59 -5.860 11.184 -3.300 1.00 0.00 O ATOM 863 CB HIS A 59 -3.821 9.955 -1.207 1.00 0.00 C ATOM 864 CG HIS A 59 -3.117 8.715 -0.705 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.710 8.462 0.588 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.602 7.711 -1.486 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.944 7.357 0.572 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.844 6.862 -0.670 1.00 0.00 N ATOM 0 H HIS A 59 -5.110 8.676 -3.141 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.752 9.655 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.372 10.251 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.641 10.767 -0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.755 7.595 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.473 6.926 1.443 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.322 6.035 -0.961 1.00 0.00 H new ATOM 876 N LEU A 60 -6.524 11.941 -1.300 1.00 0.00 N ATOM 877 CA LEU A 60 -7.222 13.131 -1.786 1.00 0.00 C ATOM 878 C LEU A 60 -6.789 14.359 -0.992 1.00 0.00 C ATOM 879 O LEU A 60 -6.791 14.324 0.237 1.00 0.00 O ATOM 880 CB LEU A 60 -8.752 12.969 -1.658 1.00 0.00 C ATOM 881 CG LEU A 60 -9.435 12.052 -2.692 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.434 10.570 -2.297 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.902 12.467 -2.823 1.00 0.00 C ATOM 0 H LEU A 60 -6.536 11.860 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.964 13.258 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.972 12.584 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.207 13.957 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.869 12.162 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.931 9.987 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.406 10.224 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.964 10.445 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.398 11.826 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.396 12.367 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.959 13.504 -3.154 1.00 0.00 H new ATOM 895 N CYS A 61 -6.448 15.439 -1.686 1.00 0.00 N ATOM 896 CA CYS A 61 -6.033 16.705 -1.093 1.00 0.00 C ATOM 897 C CYS A 61 -7.122 17.268 -0.160 1.00 0.00 C ATOM 898 O CYS A 61 -8.263 17.475 -0.571 1.00 0.00 O ATOM 899 CB CYS A 61 -5.701 17.633 -2.272 1.00 0.00 C ATOM 900 SG CYS A 61 -4.753 19.101 -1.770 1.00 0.00 S ATOM 0 H CYS A 61 -6.453 15.458 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.159 16.591 -0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.132 17.077 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.628 17.951 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.932 20.051 -2.639 1.00 0.00 H new ATOM 905 N LYS A 62 -6.807 17.536 1.112 1.00 0.00 N ATOM 906 CA LYS A 62 -7.774 18.124 2.064 1.00 0.00 C ATOM 907 C LYS A 62 -8.232 19.533 1.618 1.00 0.00 C ATOM 908 O LYS A 62 -9.232 20.039 2.129 1.00 0.00 O ATOM 909 CB LYS A 62 -7.139 18.100 3.474 1.00 0.00 C ATOM 910 CG LYS A 62 -7.786 18.940 4.590 1.00 0.00 C ATOM 911 CD LYS A 62 -9.200 18.489 4.969 1.00 0.00 C ATOM 912 CE LYS A 62 -9.796 19.467 5.989 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.156 19.054 6.426 1.00 0.00 N ATOM 0 H LYS A 62 -5.887 17.356 1.514 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.689 17.532 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.119 17.063 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.103 18.423 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.153 18.898 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.821 19.982 4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.829 18.446 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.172 17.483 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.140 19.531 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.843 20.464 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.523 19.741 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.789 19.018 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.108 18.113 6.867 1.00 0.00 H new ATOM 927 N ASN A 63 -7.544 20.160 0.656 1.00 0.00 N ATOM 928 CA ASN A 63 -7.861 21.489 0.150 1.00 0.00 C ATOM 929 C ASN A 63 -8.735 21.427 -1.115 1.00 0.00 C ATOM 930 O ASN A 63 -9.897 21.843 -1.066 1.00 0.00 O ATOM 931 CB ASN A 63 -6.554 22.254 -0.077 1.00 0.00 C ATOM 932 CG ASN A 63 -6.823 23.648 -0.607 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.509 24.450 0.013 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.294 23.993 -1.751 1.00 0.00 N ATOM 0 H ASN A 63 -6.733 19.742 0.201 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.457 22.026 0.888 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.999 22.318 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.927 21.708 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.453 24.928 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.722 23.327 -2.270 1.00 0.00 H new ATOM 941 N CYS A 64 -8.206 20.911 -2.230 1.00 0.00 N ATOM 942 CA CYS A 64 -8.907 20.825 -3.513 1.00 0.00 C ATOM 943 C CYS A 64 -9.618 19.476 -3.782 1.00 0.00 C ATOM 944 O CYS A 64 -10.336 19.348 -4.781 1.00 0.00 O ATOM 945 CB CYS A 64 -7.927 21.225 -4.639 1.00 0.00 C ATOM 946 SG CYS A 64 -6.398 20.219 -4.712 1.00 0.00 S ATOM 0 H CYS A 64 -7.259 20.534 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.738 21.529 -3.480 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.443 21.148 -5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.652 22.272 -4.508 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.388 20.934 -4.313 1.00 0.00 H new ATOM 951 N HIS A 65 -9.452 18.472 -2.906 1.00 0.00 N ATOM 952 CA HIS A 65 -10.003 17.099 -3.029 1.00 0.00 C ATOM 953 C HIS A 65 -9.691 16.390 -4.352 1.00 0.00 C ATOM 954 O HIS A 65 -10.324 15.397 -4.714 1.00 0.00 O ATOM 955 CB HIS A 65 -11.459 17.016 -2.550 1.00 0.00 C ATOM 956 CG HIS A 65 -11.586 17.329 -1.078 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.981 18.539 -0.534 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.267 16.488 -0.042 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.918 18.434 0.809 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.497 17.192 1.129 1.00 0.00 N ATOM 0 H HIS A 65 -8.907 18.593 -2.052 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.441 16.485 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.070 17.713 -3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.849 16.017 -2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.906 15.473 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.164 19.215 1.513 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.370 16.832 2.075 1.00 0.00 H new ATOM 969 N HIS A 66 -8.650 16.851 -5.036 1.00 0.00 N ATOM 970 CA HIS A 66 -8.066 16.195 -6.196 1.00 0.00 C ATOM 971 C HIS A 66 -7.395 14.896 -5.709 1.00 0.00 C ATOM 972 O HIS A 66 -6.867 14.852 -4.592 1.00 0.00 O ATOM 973 CB HIS A 66 -7.054 17.155 -6.813 1.00 0.00 C ATOM 974 CG HIS A 66 -5.721 16.564 -7.139 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.356 15.945 -8.313 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.588 16.800 -6.411 1.00 0.00 C ATOM 977 CE1 HIS A 66 -4.013 15.912 -8.336 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.511 16.466 -7.218 1.00 0.00 N ATOM 0 H HIS A 66 -8.175 17.719 -4.789 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.810 15.942 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.482 17.568 -7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.904 17.988 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.985 15.581 -9.029 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.541 17.175 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.420 15.499 -9.139 1.00 0.00 H new ATOM 986 N VAL A 67 -7.386 13.842 -6.529 1.00 0.00 N ATOM 987 CA VAL A 67 -6.719 12.582 -6.180 1.00 0.00 C ATOM 988 C VAL A 67 -5.201 12.747 -6.310 1.00 0.00 C ATOM 989 O VAL A 67 -4.654 12.746 -7.416 1.00 0.00 O ATOM 990 CB VAL A 67 -7.254 11.409 -7.021 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.478 10.120 -6.745 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.731 11.141 -6.698 1.00 0.00 C ATOM 0 H VAL A 67 -7.835 13.835 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.944 12.338 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.135 11.694 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.883 9.313 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.427 10.269 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.571 9.858 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.090 10.308 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.833 10.893 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.319 12.031 -6.920 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.535 12.877 -5.161 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.079 13.031 -5.030 1.00 0.00 C ATOM 1004 C ILE A 68 -2.343 11.816 -5.611 1.00 0.00 C ATOM 1005 O ILE A 68 -1.358 11.950 -6.341 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.735 13.232 -3.534 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.149 14.672 -3.171 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.255 12.952 -3.193 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -3.000 15.002 -1.691 1.00 0.00 C ATOM 0 H ILE A 68 -5.011 12.878 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.751 13.902 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.282 12.503 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.546 15.370 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.187 14.826 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.090 13.114 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.013 11.920 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.616 13.625 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.311 16.032 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.625 14.329 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.958 14.882 -1.394 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.827 10.617 -5.268 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.232 9.342 -5.646 1.00 0.00 C ATOM 1023 C ALA A 69 -3.218 8.172 -5.457 1.00 0.00 C ATOM 1024 O ALA A 69 -4.211 8.294 -4.734 1.00 0.00 O ATOM 1025 CB ALA A 69 -0.996 9.159 -4.749 1.00 0.00 C ATOM 0 H ALA A 69 -3.669 10.510 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.964 9.345 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.508 8.215 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.300 9.980 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.303 9.152 -3.703 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.906 7.019 -6.062 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.644 5.753 -5.914 1.00 0.00 C ATOM 1033 C ARG A 70 -2.755 4.757 -5.171 1.00 0.00 C ATOM 1034 O ARG A 70 -1.554 4.701 -5.438 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.032 5.147 -7.270 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.386 5.576 -7.830 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.446 7.050 -8.220 1.00 0.00 C ATOM 1038 NE ARG A 70 -4.599 7.363 -9.391 1.00 0.00 N ATOM 1039 CZ ARG A 70 -4.937 7.261 -10.665 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.117 6.855 -11.043 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -4.084 7.569 -11.599 1.00 0.00 N ATOM 0 H ARG A 70 -2.106 6.936 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.562 5.960 -5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.262 5.407 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.027 4.061 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.618 4.968 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.158 5.373 -7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.478 7.322 -8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.129 7.659 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.654 7.693 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.817 6.603 -10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.340 6.790 -12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.149 7.891 -11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.351 7.488 -12.580 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.374 3.961 -4.301 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.730 2.964 -3.442 1.00 0.00 C ATOM 1057 C HIS A 71 -3.315 1.574 -3.657 1.00 0.00 C ATOM 1058 O HIS A 71 -4.534 1.397 -3.738 1.00 0.00 O ATOM 1059 CB HIS A 71 -2.976 3.350 -1.975 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.052 2.687 -0.972 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.056 3.379 -0.281 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.023 1.366 -0.584 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.450 2.476 0.502 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.023 1.267 0.362 1.00 0.00 N ATOM 0 H HIS A 71 -4.385 3.994 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.668 2.943 -3.687 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.876 4.431 -1.878 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.005 3.101 -1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.655 0.569 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.383 2.689 1.155 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.763 0.421 0.869 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.453 0.569 -3.690 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.826 -0.833 -3.789 1.00 0.00 C ATOM 1074 C GLU A 72 -1.930 -1.651 -2.853 1.00 0.00 C ATOM 1075 O GLU A 72 -0.707 -1.532 -2.869 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.713 -1.297 -5.252 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.780 -2.822 -5.386 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.960 -3.244 -6.857 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.118 -3.313 -7.335 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.946 -3.509 -7.547 1.00 0.00 O ATOM 0 H GLU A 72 -1.444 0.712 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.861 -0.979 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.516 -0.848 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.774 -0.939 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.868 -3.265 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.608 -3.206 -4.791 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.548 -2.514 -2.056 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.885 -3.475 -1.184 1.00 0.00 C ATOM 1089 C TYR A 73 -2.541 -4.826 -1.451 1.00 0.00 C ATOM 1090 O TYR A 73 -3.764 -4.948 -1.392 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.012 -3.066 0.290 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.835 -4.207 1.284 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.596 -4.864 1.451 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.948 -4.642 2.025 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.464 -5.921 2.374 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.822 -5.688 2.956 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.576 -6.314 3.155 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.469 -7.282 4.105 1.00 0.00 O ATOM 0 H TYR A 73 -3.565 -2.565 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.816 -3.519 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.270 -2.297 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.992 -2.616 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.258 -4.554 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.908 -4.169 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.483 -6.429 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.684 -6.013 3.521 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.593 -7.715 4.033 1.00 0.00 H new ATOM 1108 N THR A 74 -1.746 -5.842 -1.761 1.00 0.00 N ATOM 1109 CA THR A 74 -2.256 -7.191 -2.030 1.00 0.00 C ATOM 1110 C THR A 74 -1.467 -8.185 -1.172 1.00 0.00 C ATOM 1111 O THR A 74 -0.245 -8.092 -1.034 1.00 0.00 O ATOM 1112 CB THR A 74 -2.225 -7.566 -3.531 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.027 -8.185 -3.943 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.417 -6.377 -4.488 1.00 0.00 C ATOM 0 H THR A 74 -0.732 -5.760 -1.834 1.00 0.00 H new ATOM 0 HA THR A 74 -3.311 -7.225 -1.759 1.00 0.00 H new ATOM 0 HB THR A 74 -3.067 -8.255 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.282 -7.557 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.382 -6.730 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.383 -5.909 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.623 -5.648 -4.327 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.166 -9.126 -0.550 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.578 -10.137 0.330 1.00 0.00 C ATOM 1124 C PHE A 75 -2.056 -11.539 -0.086 1.00 0.00 C ATOM 1125 O PHE A 75 -3.256 -11.760 -0.159 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.960 -9.821 1.778 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.756 -11.001 2.695 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.451 -11.338 3.073 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.833 -11.834 3.060 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.212 -12.491 3.822 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.589 -13.007 3.796 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.275 -13.338 4.169 1.00 0.00 C ATOM 0 H PHE A 75 -3.178 -9.212 -0.643 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.491 -10.121 0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.364 -8.980 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.004 -9.510 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.374 -10.703 2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.841 -11.572 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.793 -12.732 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.409 -13.652 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.084 -14.245 4.723 1.00 0.00 H new ATOM 1142 N SER A 76 -1.154 -12.488 -0.333 1.00 0.00 N ATOM 1143 CA SER A 76 -1.426 -13.861 -0.813 1.00 0.00 C ATOM 1144 C SER A 76 -0.788 -14.950 0.048 1.00 0.00 C ATOM 1145 O SER A 76 0.330 -14.795 0.515 1.00 0.00 O ATOM 1146 CB SER A 76 -0.885 -14.043 -2.241 1.00 0.00 C ATOM 1147 OG SER A 76 -1.847 -13.707 -3.219 1.00 0.00 O ATOM 0 H SER A 76 -0.157 -12.320 -0.199 1.00 0.00 H new ATOM 0 HA SER A 76 -2.509 -13.971 -0.767 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.000 -13.421 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.572 -15.078 -2.381 1.00 0.00 H new ATOM 0 HG SER A 76 -1.464 -13.834 -4.112 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.465 -16.081 0.243 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.901 -17.248 0.960 1.00 0.00 C ATOM 1155 C ILE A 77 -0.652 -18.395 -0.028 1.00 0.00 C ATOM 1156 O ILE A 77 -1.585 -18.854 -0.692 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.788 -17.690 2.142 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -2.034 -16.479 3.064 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.133 -18.886 2.863 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.499 -16.801 4.487 1.00 0.00 C ATOM 0 H ILE A 77 -2.419 -16.224 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 77 0.053 -16.952 1.395 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.762 -18.034 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.111 -15.902 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.780 -15.837 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.762 -19.196 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.022 -19.715 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.152 -18.593 3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.639 -15.874 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.442 -17.346 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.747 -17.412 4.986 1.00 0.00 H new ATOM 1172 N MET A 78 0.601 -18.860 -0.118 1.00 0.00 N ATOM 1173 CA MET A 78 1.017 -19.980 -0.973 1.00 0.00 C ATOM 1174 C MET A 78 1.617 -21.157 -0.189 1.00 0.00 C ATOM 1175 O MET A 78 2.692 -21.021 0.384 1.00 0.00 O ATOM 1176 CB MET A 78 1.960 -19.505 -2.096 1.00 0.00 C ATOM 1177 CG MET A 78 3.130 -18.616 -1.636 1.00 0.00 C ATOM 1178 SD MET A 78 4.555 -18.520 -2.763 1.00 0.00 S ATOM 1179 CE MET A 78 3.746 -18.294 -4.369 1.00 0.00 C ATOM 0 H MET A 78 1.372 -18.458 0.415 1.00 0.00 H new ATOM 0 HA MET A 78 0.107 -20.365 -1.433 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.367 -20.381 -2.602 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.374 -18.955 -2.832 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.751 -17.607 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.480 -18.982 -0.671 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.498 -18.079 -5.128 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.210 -19.204 -4.637 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.043 -17.463 -4.309 1.00 0.00 H new ATOM 1189 N ASP A 79 0.958 -22.321 -0.220 1.00 0.00 N ATOM 1190 CA ASP A 79 1.345 -23.607 0.399 1.00 0.00 C ATOM 1191 C ASP A 79 1.737 -23.567 1.896 1.00 0.00 C ATOM 1192 O ASP A 79 0.959 -23.994 2.750 1.00 0.00 O ATOM 1193 CB ASP A 79 2.461 -24.259 -0.435 1.00 0.00 C ATOM 1194 CG ASP A 79 1.992 -24.641 -1.849 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.173 -25.584 -1.979 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.447 -24.017 -2.837 1.00 0.00 O ATOM 0 H ASP A 79 0.070 -22.401 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 79 0.434 -24.206 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.304 -23.572 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.820 -25.151 0.079 1.00 0.00 H new ATOM 1201 N GLU A 80 2.922 -23.048 2.219 1.00 0.00 N ATOM 1202 CA GLU A 80 3.489 -22.915 3.570 1.00 0.00 C ATOM 1203 C GLU A 80 4.047 -21.505 3.830 1.00 0.00 C ATOM 1204 O GLU A 80 4.724 -21.291 4.834 1.00 0.00 O ATOM 1205 CB GLU A 80 4.646 -23.908 3.791 1.00 0.00 C ATOM 1206 CG GLU A 80 4.410 -25.365 3.374 1.00 0.00 C ATOM 1207 CD GLU A 80 3.253 -26.067 4.119 1.00 0.00 C ATOM 1208 OE1 GLU A 80 3.018 -25.792 5.321 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.609 -26.962 3.518 1.00 0.00 O ATOM 0 H GLU A 80 3.553 -22.686 1.504 1.00 0.00 H new ATOM 0 HA GLU A 80 2.666 -23.120 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.516 -23.538 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.902 -23.897 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.206 -25.395 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.327 -25.930 3.540 1.00 0.00 H new ATOM 1216 N PHE A 81 3.831 -20.537 2.937 1.00 0.00 N ATOM 1217 CA PHE A 81 4.403 -19.197 3.099 1.00 0.00 C ATOM 1218 C PHE A 81 3.309 -18.141 2.875 1.00 0.00 C ATOM 1219 O PHE A 81 2.221 -18.421 2.363 1.00 0.00 O ATOM 1220 CB PHE A 81 5.511 -18.936 2.053 1.00 0.00 C ATOM 1221 CG PHE A 81 6.301 -20.131 1.551 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.000 -21.000 2.409 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.257 -20.406 0.175 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.673 -22.118 1.881 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.913 -21.525 -0.356 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.632 -22.380 0.498 1.00 0.00 C ATOM 0 H PHE A 81 3.266 -20.654 2.096 1.00 0.00 H new ATOM 0 HA PHE A 81 4.818 -19.134 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.052 -18.451 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.216 -18.224 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.020 -20.809 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.710 -19.747 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.222 -22.776 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.867 -21.729 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.152 -23.236 0.094 1.00 0.00 H new ATOM 1236 N GLN A 82 3.641 -16.895 3.186 1.00 0.00 N ATOM 1237 CA GLN A 82 2.791 -15.724 2.984 1.00 0.00 C ATOM 1238 C GLN A 82 3.529 -14.715 2.119 1.00 0.00 C ATOM 1239 O GLN A 82 4.726 -14.530 2.287 1.00 0.00 O ATOM 1240 CB GLN A 82 2.431 -15.057 4.318 1.00 0.00 C ATOM 1241 CG GLN A 82 2.340 -15.955 5.546 1.00 0.00 C ATOM 1242 CD GLN A 82 1.897 -15.180 6.780 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.696 -14.702 7.575 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.613 -15.059 7.025 1.00 0.00 N ATOM 0 H GLN A 82 4.543 -16.661 3.601 1.00 0.00 H new ATOM 0 HA GLN A 82 1.871 -16.052 2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.173 -14.284 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.472 -14.554 4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.636 -16.765 5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.311 -16.414 5.734 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.069 -15.450 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.298 -14.574 7.865 1.00 0.00 H new ATOM 1253 N GLU A 83 2.811 -14.023 1.251 1.00 0.00 N ATOM 1254 CA GLU A 83 3.306 -13.020 0.310 1.00 0.00 C ATOM 1255 C GLU A 83 2.603 -11.694 0.555 1.00 0.00 C ATOM 1256 O GLU A 83 1.376 -11.618 0.585 1.00 0.00 O ATOM 1257 CB GLU A 83 3.013 -13.429 -1.149 1.00 0.00 C ATOM 1258 CG GLU A 83 4.094 -14.299 -1.787 1.00 0.00 C ATOM 1259 CD GLU A 83 3.797 -14.562 -3.280 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.651 -14.937 -3.628 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.712 -14.382 -4.121 1.00 0.00 O ATOM 0 H GLU A 83 1.802 -14.151 1.176 1.00 0.00 H new ATOM 0 HA GLU A 83 4.382 -12.934 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.065 -13.967 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.888 -12.527 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.063 -13.809 -1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.161 -15.248 -1.255 1.00 0.00 H new ATOM 1268 N TYR A 84 3.391 -10.638 0.675 1.00 0.00 N ATOM 1269 CA TYR A 84 2.932 -9.273 0.885 1.00 0.00 C ATOM 1270 C TYR A 84 3.440 -8.397 -0.243 1.00 0.00 C ATOM 1271 O TYR A 84 4.634 -8.425 -0.542 1.00 0.00 O ATOM 1272 CB TYR A 84 3.507 -8.743 2.196 1.00 0.00 C ATOM 1273 CG TYR A 84 2.966 -9.446 3.425 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.559 -10.639 3.892 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.818 -8.935 4.057 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.019 -11.308 5.008 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.296 -9.579 5.195 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.904 -10.762 5.682 1.00 0.00 C ATOM 1279 OH TYR A 84 1.394 -11.405 6.768 1.00 0.00 O ATOM 0 H TYR A 84 4.407 -10.710 0.627 1.00 0.00 H new ATOM 0 HA TYR A 84 1.843 -9.259 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.592 -8.848 2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.291 -7.677 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.429 -11.040 3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.337 -8.049 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.456 -12.235 5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.431 -9.171 5.697 1.00 0.00 H new ATOM 0 HH TYR A 84 0.630 -10.901 7.118 1.00 0.00 H new ATOM 1289 N THR A 85 2.563 -7.617 -0.867 1.00 0.00 N ATOM 1290 CA THR A 85 2.952 -6.691 -1.930 1.00 0.00 C ATOM 1291 C THR A 85 2.177 -5.380 -1.771 1.00 0.00 C ATOM 1292 O THR A 85 1.010 -5.349 -1.384 1.00 0.00 O ATOM 1293 CB THR A 85 2.782 -7.278 -3.353 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.503 -7.014 -3.889 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.938 -8.804 -3.440 1.00 0.00 C ATOM 0 H THR A 85 1.566 -7.607 -0.653 1.00 0.00 H new ATOM 0 HA THR A 85 4.020 -6.502 -1.823 1.00 0.00 H new ATOM 0 HB THR A 85 3.581 -6.787 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.439 -7.400 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.803 -9.125 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.934 -9.088 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.188 -9.283 -2.810 1.00 0.00 H new ATOM 1303 N MET A 86 2.832 -4.267 -2.059 1.00 0.00 N ATOM 1304 CA MET A 86 2.276 -2.917 -2.028 1.00 0.00 C ATOM 1305 C MET A 86 2.789 -2.136 -3.236 1.00 0.00 C ATOM 1306 O MET A 86 3.927 -2.308 -3.672 1.00 0.00 O ATOM 1307 CB MET A 86 2.645 -2.246 -0.705 1.00 0.00 C ATOM 1308 CG MET A 86 2.211 -0.782 -0.621 1.00 0.00 C ATOM 1309 SD MET A 86 2.682 0.047 0.920 1.00 0.00 S ATOM 1310 CE MET A 86 4.399 0.484 0.519 1.00 0.00 C ATOM 0 H MET A 86 3.814 -4.277 -2.335 1.00 0.00 H new ATOM 0 HA MET A 86 1.188 -2.946 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.187 -2.800 0.114 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.724 -2.305 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.645 -0.238 -1.460 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.128 -0.729 -0.732 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.892 0.877 1.408 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.929 -0.403 0.173 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.408 1.241 -0.265 1.00 0.00 H new ATOM 1320 N LEU A 87 1.922 -1.281 -3.763 1.00 0.00 N ATOM 1321 CA LEU A 87 2.154 -0.419 -4.920 1.00 0.00 C ATOM 1322 C LEU A 87 1.298 0.863 -4.808 1.00 0.00 C ATOM 1323 O LEU A 87 0.085 0.842 -5.020 1.00 0.00 O ATOM 1324 CB LEU A 87 1.775 -1.213 -6.184 1.00 0.00 C ATOM 1325 CG LEU A 87 2.160 -0.508 -7.485 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.592 -0.849 -7.871 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.243 -0.891 -8.643 1.00 0.00 C ATOM 0 H LEU A 87 0.986 -1.162 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 87 3.200 -0.118 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.261 -2.188 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.700 -1.393 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 87 2.059 0.562 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.850 -0.339 -8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.269 -0.527 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.684 -1.926 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.556 -0.365 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.300 -1.966 -8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.217 -0.616 -8.401 1.00 0.00 H new ATOM 1339 N CYS A 88 1.940 1.979 -4.491 1.00 0.00 N ATOM 1340 CA CYS A 88 1.350 3.306 -4.358 1.00 0.00 C ATOM 1341 C CYS A 88 2.318 4.361 -4.915 1.00 0.00 C ATOM 1342 O CYS A 88 3.523 4.319 -4.638 1.00 0.00 O ATOM 1343 CB CYS A 88 1.068 3.582 -2.878 1.00 0.00 C ATOM 1344 SG CYS A 88 0.472 5.290 -2.632 1.00 0.00 S ATOM 0 H CYS A 88 2.944 1.984 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 88 0.417 3.353 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.324 2.877 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.975 3.422 -2.295 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.360 5.600 -3.581 1.00 0.00 H new ATOM 1349 N LEU A 89 1.790 5.319 -5.682 1.00 0.00 N ATOM 1350 CA LEU A 89 2.552 6.437 -6.241 1.00 0.00 C ATOM 1351 C LEU A 89 3.199 7.297 -5.140 1.00 0.00 C ATOM 1352 O LEU A 89 4.313 7.788 -5.335 1.00 0.00 O ATOM 1353 CB LEU A 89 1.612 7.255 -7.151 1.00 0.00 C ATOM 1354 CG LEU A 89 2.155 8.612 -7.634 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.385 8.485 -8.513 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.134 9.370 -8.478 1.00 0.00 C ATOM 0 H LEU A 89 0.802 5.339 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 89 3.383 6.056 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.369 6.651 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.679 7.429 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 89 2.393 9.140 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.717 9.477 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.181 7.992 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.141 7.895 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.560 10.321 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.874 8.777 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.238 9.554 -7.886 1.00 0.00 H new ATOM 1368 N LEU A 90 2.537 7.438 -3.989 1.00 0.00 N ATOM 1369 CA LEU A 90 3.016 8.196 -2.840 1.00 0.00 C ATOM 1370 C LEU A 90 3.714 7.288 -1.831 1.00 0.00 C ATOM 1371 O LEU A 90 4.897 7.483 -1.550 1.00 0.00 O ATOM 1372 CB LEU A 90 1.813 8.883 -2.165 1.00 0.00 C ATOM 1373 CG LEU A 90 2.132 9.502 -0.791 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.236 10.550 -0.879 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.887 10.144 -0.188 1.00 0.00 C ATOM 0 H LEU A 90 1.624 7.012 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 90 3.738 8.937 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.437 9.665 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.012 8.154 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 90 2.477 8.688 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.428 10.960 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.146 10.089 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.924 11.351 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.134 10.575 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.524 10.928 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.112 9.388 -0.062 1.00 0.00 H new ATOM 1387 N CYS A 91 2.983 6.348 -1.249 1.00 0.00 N ATOM 1388 CA CYS A 91 3.461 5.504 -0.175 1.00 0.00 C ATOM 1389 C CYS A 91 4.605 4.582 -0.592 1.00 0.00 C ATOM 1390 O CYS A 91 5.547 4.408 0.185 1.00 0.00 O ATOM 1391 CB CYS A 91 2.280 4.738 0.422 1.00 0.00 C ATOM 1392 SG CYS A 91 1.047 5.895 1.078 1.00 0.00 S ATOM 0 H CYS A 91 2.020 6.150 -1.520 1.00 0.00 H new ATOM 0 HA CYS A 91 3.895 6.145 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.826 4.105 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.629 4.079 1.217 1.00 0.00 H new ATOM 0 HG CYS A 91 0.050 5.228 1.579 1.00 0.00 H new ATOM 1397 N GLY A 92 4.557 4.036 -1.810 1.00 0.00 N ATOM 1398 CA GLY A 92 5.651 3.253 -2.372 1.00 0.00 C ATOM 1399 C GLY A 92 5.322 1.883 -2.951 1.00 0.00 C ATOM 1400 O GLY A 92 4.207 1.376 -2.840 1.00 0.00 O ATOM 0 H GLY A 92 3.754 4.127 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.117 3.846 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.399 3.115 -1.592 1.00 0.00 H new ATOM 1404 N LYS A 93 6.349 1.261 -3.542 1.00 0.00 N ATOM 1405 CA LYS A 93 6.317 -0.101 -4.083 1.00 0.00 C ATOM 1406 C LYS A 93 7.240 -1.014 -3.282 1.00 0.00 C ATOM 1407 O LYS A 93 8.453 -0.797 -3.234 1.00 0.00 O ATOM 1408 CB LYS A 93 6.663 -0.082 -5.574 1.00 0.00 C ATOM 1409 CG LYS A 93 6.854 -1.495 -6.158 1.00 0.00 C ATOM 1410 CD LYS A 93 7.242 -1.431 -7.642 1.00 0.00 C ATOM 1411 CE LYS A 93 7.360 -2.847 -8.217 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.746 -2.826 -9.652 1.00 0.00 N ATOM 0 H LYS A 93 7.257 1.709 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 93 5.310 -0.506 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.870 0.428 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.576 0.495 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.627 -2.022 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.933 -2.067 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.494 -0.866 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.189 -0.904 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.101 -3.410 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.409 -3.367 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.816 -3.801 -10.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.026 -2.310 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.666 -2.352 -9.757 1.00 0.00 H new ATOM 1426 N ALA A 94 6.664 -2.031 -2.654 1.00 0.00 N ATOM 1427 CA ALA A 94 7.375 -3.005 -1.832 1.00 0.00 C ATOM 1428 C ALA A 94 6.814 -4.434 -1.943 1.00 0.00 C ATOM 1429 O ALA A 94 5.645 -4.624 -2.276 1.00 0.00 O ATOM 1430 CB ALA A 94 7.334 -2.499 -0.388 1.00 0.00 C ATOM 0 H ALA A 94 5.661 -2.207 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 94 8.401 -3.086 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.857 -3.203 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.818 -1.524 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.297 -2.409 -0.063 1.00 0.00 H new ATOM 1436 N GLU A 95 7.633 -5.440 -1.630 1.00 0.00 N ATOM 1437 CA GLU A 95 7.238 -6.855 -1.606 1.00 0.00 C ATOM 1438 C GLU A 95 8.062 -7.639 -0.572 1.00 0.00 C ATOM 1439 O GLU A 95 9.274 -7.446 -0.464 1.00 0.00 O ATOM 1440 CB GLU A 95 7.427 -7.434 -3.016 1.00 0.00 C ATOM 1441 CG GLU A 95 7.140 -8.935 -3.146 1.00 0.00 C ATOM 1442 CD GLU A 95 7.294 -9.388 -4.611 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.317 -9.288 -5.391 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.400 -9.843 -4.997 1.00 0.00 O ATOM 0 H GLU A 95 8.611 -5.293 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 95 6.192 -6.941 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.776 -6.894 -3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.453 -7.247 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.824 -9.498 -2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.130 -9.150 -2.797 1.00 0.00 H new ATOM 1451 N ASP A 96 7.412 -8.523 0.188 1.00 0.00 N ATOM 1452 CA ASP A 96 8.002 -9.383 1.216 1.00 0.00 C ATOM 1453 C ASP A 96 7.361 -10.782 1.223 1.00 0.00 C ATOM 1454 O ASP A 96 6.192 -10.934 0.867 1.00 0.00 O ATOM 1455 CB ASP A 96 7.845 -8.721 2.593 1.00 0.00 C ATOM 1456 CG ASP A 96 8.679 -9.421 3.680 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.880 -9.692 3.441 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.135 -9.699 4.775 1.00 0.00 O ATOM 0 H ASP A 96 6.406 -8.666 0.098 1.00 0.00 H new ATOM 0 HA ASP A 96 9.060 -9.508 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.145 -7.675 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.794 -8.734 2.881 1.00 0.00 H new ATOM 1463 N THR A 97 8.094 -11.810 1.654 1.00 0.00 N ATOM 1464 CA THR A 97 7.562 -13.179 1.792 1.00 0.00 C ATOM 1465 C THR A 97 8.009 -13.803 3.118 1.00 0.00 C ATOM 1466 O THR A 97 9.175 -13.681 3.501 1.00 0.00 O ATOM 1467 CB THR A 97 7.954 -14.094 0.617 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.034 -13.400 -0.614 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.946 -15.224 0.422 1.00 0.00 C ATOM 0 H THR A 97 9.075 -11.723 1.919 1.00 0.00 H new ATOM 0 HA THR A 97 6.476 -13.091 1.781 1.00 0.00 H new ATOM 0 HB THR A 97 8.935 -14.487 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.287 -14.024 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.257 -15.848 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.898 -15.829 1.327 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.962 -14.802 0.215 1.00 0.00 H new ATOM 1477 N ILE A 98 7.088 -14.466 3.828 1.00 0.00 N ATOM 1478 CA ILE A 98 7.316 -15.088 5.143 1.00 0.00 C ATOM 1479 C ILE A 98 6.999 -16.576 5.091 1.00 0.00 C ATOM 1480 O ILE A 98 5.880 -16.959 4.770 1.00 0.00 O ATOM 1481 CB ILE A 98 6.435 -14.446 6.243 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.414 -12.908 6.150 1.00 0.00 C ATOM 1483 CG2 ILE A 98 6.931 -14.894 7.623 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.618 -12.189 7.249 1.00 0.00 C ATOM 0 H ILE A 98 6.132 -14.590 3.494 1.00 0.00 H new ATOM 0 HA ILE A 98 8.366 -14.930 5.387 1.00 0.00 H new ATOM 0 HB ILE A 98 5.410 -14.786 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.442 -12.546 6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.000 -12.626 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.311 -14.442 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.870 -15.980 7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.966 -14.579 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.668 -11.112 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.578 -12.513 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.042 -12.432 8.223 1.00 0.00 H new ATOM 1496 N SER A 99 7.944 -17.424 5.472 1.00 0.00 N ATOM 1497 CA SER A 99 7.717 -18.869 5.584 1.00 0.00 C ATOM 1498 C SER A 99 7.089 -19.173 6.948 1.00 0.00 C ATOM 1499 O SER A 99 7.556 -18.678 7.980 1.00 0.00 O ATOM 1500 CB SER A 99 9.009 -19.654 5.334 1.00 0.00 C ATOM 1501 OG SER A 99 10.089 -19.172 6.123 1.00 0.00 O ATOM 0 H SER A 99 8.892 -17.135 5.714 1.00 0.00 H new ATOM 0 HA SER A 99 7.020 -19.194 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.841 -20.708 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.274 -19.588 4.279 1.00 0.00 H new ATOM 0 HG SER A 99 10.893 -19.700 5.935 1.00 0.00 H new