USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 665 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 64 TYR OH : rot 35:sc= 0.477 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -140:sc= 0.201 (180deg=-0.759) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 LYS NZ :NH3+ -142:sc= -0.0868 (180deg=-1.1) USER MOD Set 3.1: A 26 THR OG1 : rot 23:sc=-0.00976 USER MOD Set 3.2: A 75 MET CE :methyl -148:sc= -4.02! (180deg=-5.72!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 65:sc= 0.748 USER MOD Single : A 5 SER OG : rot 20:sc= 0.54 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 43:sc= 0.625 USER MOD Single : A 18 SER OG : rot -39:sc= 0.00352 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 22 TYR OH : rot -149:sc= 0.268 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.586 F(o=-1.3,f=-0.59) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -7:sc= 0.496 USER MOD Single : A 41 ASN : amide:sc= -3.17! C(o=-3.2!,f=-11!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.992 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -3.91! C(o=-4.4!,f=-3.9!) USER MOD Single : A 56 GLN : amide:sc= -5.23! C(o=-5.2!,f=-11!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -0.428 F(o=-1.2,f=-0.43) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.117 F(o=-0.99,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= -6.59! C(o=-6.6!,f=-13!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 58:sc= 0.108 USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0214) USER MOD Single : A 81 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.8!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.384 26.539 -2.480 1.00 0.00 N ATOM 2 CA GLY A 1 -4.652 26.054 -1.324 1.00 0.00 C ATOM 3 C GLY A 1 -4.538 27.097 -0.230 1.00 0.00 C ATOM 4 O GLY A 1 -3.865 28.113 -0.400 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.434 25.789 -3.199 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.347 26.809 -2.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.896 27.367 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.150 25.169 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.653 25.746 -1.633 1.00 0.00 H new ATOM 8 N SER A 2 -5.200 26.846 0.895 1.00 0.00 N ATOM 9 CA SER A 2 -5.175 27.775 2.020 1.00 0.00 C ATOM 10 C SER A 2 -3.977 27.500 2.924 1.00 0.00 C ATOM 11 O SER A 2 -3.243 26.532 2.723 1.00 0.00 O ATOM 12 CB SER A 2 -6.471 27.669 2.825 1.00 0.00 C ATOM 13 OG SER A 2 -7.521 28.384 2.196 1.00 0.00 O ATOM 0 H SER A 2 -5.760 26.008 1.052 1.00 0.00 H new ATOM 0 HA SER A 2 -5.084 28.786 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.753 26.621 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.312 28.060 3.830 1.00 0.00 H new ATOM 0 HG SER A 2 -8.339 28.300 2.729 1.00 0.00 H new ATOM 19 N SER A 3 -3.787 28.358 3.921 1.00 0.00 N ATOM 20 CA SER A 3 -2.677 28.211 4.855 1.00 0.00 C ATOM 21 C SER A 3 -3.020 27.207 5.952 1.00 0.00 C ATOM 22 O SER A 3 -2.796 27.463 7.135 1.00 0.00 O ATOM 23 CB SER A 3 -2.324 29.563 5.477 1.00 0.00 C ATOM 24 OG SER A 3 -3.266 29.929 6.471 1.00 0.00 O ATOM 0 H SER A 3 -4.387 29.162 4.103 1.00 0.00 H new ATOM 0 HA SER A 3 -1.815 27.838 4.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.327 29.516 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.294 30.327 4.701 1.00 0.00 H new ATOM 0 HG SER A 3 -3.221 29.293 7.215 1.00 0.00 H new ATOM 30 N GLY A 4 -3.565 26.063 5.550 1.00 0.00 N ATOM 31 CA GLY A 4 -3.930 25.038 6.510 1.00 0.00 C ATOM 32 C GLY A 4 -4.110 23.678 5.865 1.00 0.00 C ATOM 33 O GLY A 4 -3.685 23.460 4.730 1.00 0.00 O ATOM 0 H GLY A 4 -3.760 25.828 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.160 24.973 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.855 25.325 7.010 1.00 0.00 H new ATOM 37 N SER A 5 -4.741 22.760 6.590 1.00 0.00 N ATOM 38 CA SER A 5 -4.971 21.412 6.084 1.00 0.00 C ATOM 39 C SER A 5 -5.232 21.433 4.580 1.00 0.00 C ATOM 40 O SER A 5 -6.137 22.119 4.106 1.00 0.00 O ATOM 41 CB SER A 5 -6.154 20.767 6.809 1.00 0.00 C ATOM 42 OG SER A 5 -7.376 21.379 6.435 1.00 0.00 O ATOM 0 H SER A 5 -5.102 22.925 7.530 1.00 0.00 H new ATOM 0 HA SER A 5 -4.074 20.822 6.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.191 19.703 6.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.015 20.853 7.887 1.00 0.00 H new ATOM 0 HG SER A 5 -7.260 21.845 5.581 1.00 0.00 H new ATOM 48 N SER A 6 -4.431 20.677 3.836 1.00 0.00 N ATOM 49 CA SER A 6 -4.571 20.611 2.387 1.00 0.00 C ATOM 50 C SER A 6 -4.872 19.186 1.934 1.00 0.00 C ATOM 51 O SER A 6 -3.962 18.405 1.658 1.00 0.00 O ATOM 52 CB SER A 6 -3.297 21.117 1.706 1.00 0.00 C ATOM 53 OG SER A 6 -3.341 20.888 0.308 1.00 0.00 O ATOM 0 H SER A 6 -3.678 20.102 4.213 1.00 0.00 H new ATOM 0 HA SER A 6 -5.406 21.249 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.176 22.183 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.429 20.615 2.133 1.00 0.00 H new ATOM 0 HG SER A 6 -2.517 21.221 -0.104 1.00 0.00 H new ATOM 59 N GLY A 7 -6.157 18.853 1.861 1.00 0.00 N ATOM 60 CA GLY A 7 -6.556 17.522 1.441 1.00 0.00 C ATOM 61 C GLY A 7 -6.139 16.453 2.432 1.00 0.00 C ATOM 62 O GLY A 7 -5.339 16.710 3.332 1.00 0.00 O ATOM 0 H GLY A 7 -6.929 19.481 2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.638 17.493 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.115 17.304 0.468 1.00 0.00 H new ATOM 66 N ILE A 8 -6.682 15.252 2.267 1.00 0.00 N ATOM 67 CA ILE A 8 -6.362 14.141 3.154 1.00 0.00 C ATOM 68 C ILE A 8 -5.099 13.419 2.697 1.00 0.00 C ATOM 69 O ILE A 8 -4.826 13.323 1.501 1.00 0.00 O ATOM 70 CB ILE A 8 -7.520 13.128 3.229 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.854 13.857 3.399 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.295 12.149 4.372 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.059 12.959 3.234 1.00 0.00 C ATOM 0 H ILE A 8 -7.346 15.023 1.527 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.197 14.566 4.144 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.552 12.565 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.885 14.315 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.912 14.666 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.122 11.440 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.362 11.610 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.240 12.695 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.969 13.543 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.052 12.521 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.025 12.164 3.979 1.00 0.00 H new ATOM 85 N GLU A 9 -4.333 12.911 3.658 1.00 0.00 N ATOM 86 CA GLU A 9 -3.099 12.197 3.353 1.00 0.00 C ATOM 87 C GLU A 9 -3.253 10.704 3.628 1.00 0.00 C ATOM 88 O GLU A 9 -4.197 10.277 4.294 1.00 0.00 O ATOM 89 CB GLU A 9 -1.940 12.762 4.177 1.00 0.00 C ATOM 90 CG GLU A 9 -1.530 14.167 3.768 1.00 0.00 C ATOM 91 CD GLU A 9 -1.488 14.347 2.263 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.508 13.890 1.638 1.00 0.00 O ATOM 93 OE2 GLU A 9 -2.435 14.945 1.710 1.00 0.00 O ATOM 0 H GLU A 9 -4.545 12.981 4.653 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.882 12.333 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.222 12.767 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.080 12.099 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.229 14.885 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.548 14.391 4.185 1.00 0.00 H new ATOM 100 N CYS A 10 -2.318 9.914 3.111 1.00 0.00 N ATOM 101 CA CYS A 10 -2.348 8.468 3.298 1.00 0.00 C ATOM 102 C CYS A 10 -1.706 8.079 4.627 1.00 0.00 C ATOM 103 O CYS A 10 -0.549 8.407 4.890 1.00 0.00 O ATOM 104 CB CYS A 10 -1.626 7.768 2.145 1.00 0.00 C ATOM 105 SG CYS A 10 -1.686 5.949 2.226 1.00 0.00 S ATOM 0 H CYS A 10 -1.529 10.251 2.559 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.390 8.149 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.067 8.094 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.584 8.087 2.136 1.00 0.00 H new ATOM 110 N VAL A 11 -2.466 7.375 5.461 1.00 0.00 N ATOM 111 CA VAL A 11 -1.971 6.939 6.761 1.00 0.00 C ATOM 112 C VAL A 11 -0.951 5.816 6.613 1.00 0.00 C ATOM 113 O VAL A 11 -0.483 5.253 7.603 1.00 0.00 O ATOM 114 CB VAL A 11 -3.121 6.457 7.666 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.049 7.612 8.011 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.888 5.327 6.996 1.00 0.00 C ATOM 0 H VAL A 11 -3.426 7.095 5.259 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.492 7.802 7.223 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.695 6.076 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.855 7.253 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.488 8.386 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.470 8.026 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.697 4.999 7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.304 5.679 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.214 4.492 6.806 1.00 0.00 H new ATOM 126 N VAL A 12 -0.610 5.495 5.369 1.00 0.00 N ATOM 127 CA VAL A 12 0.357 4.439 5.090 1.00 0.00 C ATOM 128 C VAL A 12 1.657 5.016 4.540 1.00 0.00 C ATOM 129 O VAL A 12 2.737 4.760 5.072 1.00 0.00 O ATOM 130 CB VAL A 12 -0.204 3.416 4.085 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.808 2.309 3.830 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.519 2.841 4.588 1.00 0.00 C ATOM 0 H VAL A 12 -0.989 5.951 4.539 1.00 0.00 H new ATOM 0 HA VAL A 12 0.558 3.935 6.036 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.395 3.927 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.395 1.595 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.723 2.739 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.032 1.798 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.901 2.120 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.357 2.345 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.243 3.646 4.715 1.00 0.00 H new ATOM 142 N CYS A 13 1.545 5.797 3.471 1.00 0.00 N ATOM 143 CA CYS A 13 2.711 6.411 2.846 1.00 0.00 C ATOM 144 C CYS A 13 2.637 7.933 2.937 1.00 0.00 C ATOM 145 O CYS A 13 3.620 8.628 2.685 1.00 0.00 O ATOM 146 CB CYS A 13 2.818 5.981 1.382 1.00 0.00 C ATOM 147 SG CYS A 13 1.408 6.497 0.350 1.00 0.00 S ATOM 0 H CYS A 13 0.658 6.020 3.019 1.00 0.00 H new ATOM 0 HA CYS A 13 3.599 6.074 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.734 6.394 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.908 4.896 1.339 1.00 0.00 H new ATOM 152 N GLY A 14 1.463 8.443 3.298 1.00 0.00 N ATOM 153 CA GLY A 14 1.283 9.878 3.415 1.00 0.00 C ATOM 154 C GLY A 14 0.663 10.488 2.173 1.00 0.00 C ATOM 155 O GLY A 14 0.081 11.571 2.230 1.00 0.00 O ATOM 0 H GLY A 14 0.634 7.888 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.650 10.093 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.248 10.348 3.604 1.00 0.00 H new ATOM 159 N ASP A 15 0.790 9.792 1.048 1.00 0.00 N ATOM 160 CA ASP A 15 0.238 10.272 -0.213 1.00 0.00 C ATOM 161 C ASP A 15 -1.184 10.790 -0.022 1.00 0.00 C ATOM 162 O ASP A 15 -1.980 10.199 0.708 1.00 0.00 O ATOM 163 CB ASP A 15 0.251 9.155 -1.258 1.00 0.00 C ATOM 164 CG ASP A 15 -0.110 9.653 -2.643 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.690 10.414 -3.227 1.00 0.00 O ATOM 166 OD2 ASP A 15 -1.192 9.282 -3.144 1.00 0.00 O ATOM 0 H ASP A 15 1.270 8.894 0.984 1.00 0.00 H new ATOM 0 HA ASP A 15 0.861 11.095 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.241 8.699 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.451 8.376 -0.961 1.00 0.00 H new ATOM 171 N LYS A 16 -1.498 11.900 -0.683 1.00 0.00 N ATOM 172 CA LYS A 16 -2.824 12.499 -0.587 1.00 0.00 C ATOM 173 C LYS A 16 -3.912 11.440 -0.734 1.00 0.00 C ATOM 174 O LYS A 16 -4.204 10.987 -1.841 1.00 0.00 O ATOM 175 CB LYS A 16 -2.998 13.576 -1.659 1.00 0.00 C ATOM 176 CG LYS A 16 -4.391 14.180 -1.695 1.00 0.00 C ATOM 177 CD LYS A 16 -4.495 15.396 -0.790 1.00 0.00 C ATOM 178 CE LYS A 16 -3.849 16.619 -1.423 1.00 0.00 C ATOM 179 NZ LYS A 16 -4.771 17.305 -2.371 1.00 0.00 N ATOM 0 H LYS A 16 -0.852 12.403 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.918 12.956 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.271 14.370 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.773 13.145 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.639 14.464 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.121 13.432 -1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.544 15.605 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.014 15.182 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.547 17.316 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.943 16.320 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.294 18.133 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.039 16.648 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.625 17.614 -1.863 1.00 0.00 H new ATOM 193 N SER A 17 -4.508 11.050 0.388 1.00 0.00 N ATOM 194 CA SER A 17 -5.562 10.042 0.383 1.00 0.00 C ATOM 195 C SER A 17 -6.680 10.430 -0.579 1.00 0.00 C ATOM 196 O SER A 17 -6.999 11.609 -0.735 1.00 0.00 O ATOM 197 CB SER A 17 -6.128 9.859 1.793 1.00 0.00 C ATOM 198 OG SER A 17 -7.356 9.153 1.762 1.00 0.00 O ATOM 0 H SER A 17 -4.279 11.416 1.312 1.00 0.00 H new ATOM 0 HA SER A 17 -5.128 9.100 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.410 9.318 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.277 10.834 2.258 1.00 0.00 H new ATOM 0 HG SER A 17 -7.288 8.406 1.131 1.00 0.00 H new ATOM 204 N SER A 18 -7.272 9.430 -1.223 1.00 0.00 N ATOM 205 CA SER A 18 -8.353 9.665 -2.174 1.00 0.00 C ATOM 206 C SER A 18 -9.707 9.644 -1.472 1.00 0.00 C ATOM 207 O SER A 18 -10.721 10.046 -2.043 1.00 0.00 O ATOM 208 CB SER A 18 -8.323 8.611 -3.283 1.00 0.00 C ATOM 209 OG SER A 18 -9.001 9.070 -4.440 1.00 0.00 O ATOM 0 H SER A 18 -7.022 8.448 -1.104 1.00 0.00 H new ATOM 0 HA SER A 18 -8.208 10.651 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.290 8.372 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.786 7.691 -2.927 1.00 0.00 H new ATOM 0 HG SER A 18 -9.800 9.571 -4.174 1.00 0.00 H new ATOM 215 N GLY A 19 -9.716 9.170 -0.230 1.00 0.00 N ATOM 216 CA GLY A 19 -10.951 9.105 0.530 1.00 0.00 C ATOM 217 C GLY A 19 -10.892 8.080 1.646 1.00 0.00 C ATOM 218 O GLY A 19 -9.828 7.538 1.945 1.00 0.00 O ATOM 0 H GLY A 19 -8.891 8.830 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.166 10.086 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.774 8.860 -0.141 1.00 0.00 H new ATOM 222 N LYS A 20 -12.037 7.815 2.265 1.00 0.00 N ATOM 223 CA LYS A 20 -12.112 6.849 3.354 1.00 0.00 C ATOM 224 C LYS A 20 -12.281 5.432 2.815 1.00 0.00 C ATOM 225 O LYS A 20 -13.384 4.884 2.817 1.00 0.00 O ATOM 226 CB LYS A 20 -13.274 7.193 4.289 1.00 0.00 C ATOM 227 CG LYS A 20 -13.369 6.284 5.502 1.00 0.00 C ATOM 228 CD LYS A 20 -14.116 6.953 6.643 1.00 0.00 C ATOM 229 CE LYS A 20 -13.184 7.794 7.502 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.937 8.686 8.427 1.00 0.00 N ATOM 0 H LYS A 20 -12.926 8.256 2.031 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.177 6.896 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.165 8.224 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.208 7.137 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.877 5.360 5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.367 6.011 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.909 7.583 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.595 6.193 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.532 7.139 8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.542 8.396 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.267 9.243 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.540 9.329 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.531 8.110 9.058 1.00 0.00 H new ATOM 244 N HIS A 21 -11.182 4.843 2.356 1.00 0.00 N ATOM 245 CA HIS A 21 -11.209 3.489 1.815 1.00 0.00 C ATOM 246 C HIS A 21 -10.995 2.459 2.920 1.00 0.00 C ATOM 247 O HIS A 21 -10.119 2.619 3.771 1.00 0.00 O ATOM 248 CB HIS A 21 -10.138 3.326 0.736 1.00 0.00 C ATOM 249 CG HIS A 21 -10.303 4.267 -0.417 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.502 4.453 -1.072 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.411 5.079 -1.032 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.341 5.337 -2.040 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.081 5.733 -2.037 1.00 0.00 N ATOM 0 H HIS A 21 -10.261 5.282 2.348 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.190 3.321 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.156 3.481 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.161 2.301 0.365 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.377 3.981 -0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.367 5.192 -0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.109 5.678 -2.719 1.00 0.00 H new ATOM 261 N TYR A 22 -11.799 1.402 2.901 1.00 0.00 N ATOM 262 CA TYR A 22 -11.700 0.347 3.903 1.00 0.00 C ATOM 263 C TYR A 22 -11.816 0.922 5.312 1.00 0.00 C ATOM 264 O TYR A 22 -11.180 0.436 6.247 1.00 0.00 O ATOM 265 CB TYR A 22 -10.376 -0.403 3.754 1.00 0.00 C ATOM 266 CG TYR A 22 -10.043 -0.767 2.325 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.768 -1.741 1.648 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.005 -0.137 1.650 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.468 -2.077 0.343 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.698 -0.465 0.344 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.432 -1.436 -0.306 1.00 0.00 C ATOM 272 OH TYR A 22 -9.131 -1.767 -1.607 1.00 0.00 O ATOM 0 H TYR A 22 -12.527 1.253 2.202 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.524 -0.349 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.572 0.211 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.415 -1.313 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.580 -2.244 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.428 0.623 2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.041 -2.837 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.888 0.036 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.171 -1.645 -1.762 1.00 0.00 H new ATOM 282 N GLY A 23 -12.634 1.960 5.455 1.00 0.00 N ATOM 283 CA GLY A 23 -12.820 2.584 6.752 1.00 0.00 C ATOM 284 C GLY A 23 -11.588 3.337 7.216 1.00 0.00 C ATOM 285 O GLY A 23 -11.408 3.567 8.411 1.00 0.00 O ATOM 0 H GLY A 23 -13.171 2.380 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.665 3.271 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.073 1.819 7.487 1.00 0.00 H new ATOM 289 N GLN A 24 -10.739 3.719 6.268 1.00 0.00 N ATOM 290 CA GLN A 24 -9.517 4.447 6.587 1.00 0.00 C ATOM 291 C GLN A 24 -9.093 5.336 5.422 1.00 0.00 C ATOM 292 O GLN A 24 -9.270 4.978 4.257 1.00 0.00 O ATOM 293 CB GLN A 24 -8.392 3.471 6.933 1.00 0.00 C ATOM 294 CG GLN A 24 -7.394 4.024 7.938 1.00 0.00 C ATOM 295 CD GLN A 24 -8.062 4.574 9.182 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.682 3.694 9.960 1.00 0.00 O flip ATOM 297 NE2 GLN A 24 -8.023 5.778 9.442 1.00 0.00 N flip ATOM 0 H GLN A 24 -10.875 3.537 5.274 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.717 5.081 7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.827 2.555 7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.863 3.201 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.697 3.236 8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.808 4.813 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.535 6.419 8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.478 6.133 10.283 1.00 0.00 H new ATOM 306 N PHE A 25 -8.533 6.498 5.744 1.00 0.00 N ATOM 307 CA PHE A 25 -8.086 7.439 4.724 1.00 0.00 C ATOM 308 C PHE A 25 -6.737 7.018 4.149 1.00 0.00 C ATOM 309 O PHE A 25 -5.713 7.073 4.831 1.00 0.00 O ATOM 310 CB PHE A 25 -7.985 8.849 5.310 1.00 0.00 C ATOM 311 CG PHE A 25 -9.318 9.457 5.643 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.275 9.641 4.658 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.613 9.844 6.940 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.503 10.200 4.961 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.839 10.402 7.249 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.784 10.582 6.258 1.00 0.00 C ATOM 0 H PHE A 25 -8.378 6.810 6.703 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.821 7.439 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.374 8.816 6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.468 9.493 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.059 9.344 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.877 9.708 7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.241 10.338 4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.058 10.697 8.265 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.741 11.021 6.497 1.00 0.00 H new ATOM 326 N THR A 26 -6.743 6.595 2.889 1.00 0.00 N ATOM 327 CA THR A 26 -5.522 6.162 2.221 1.00 0.00 C ATOM 328 C THR A 26 -5.527 6.564 0.751 1.00 0.00 C ATOM 329 O THR A 26 -6.580 6.838 0.175 1.00 0.00 O ATOM 330 CB THR A 26 -5.336 4.637 2.325 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.550 3.970 1.961 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.933 4.235 3.735 1.00 0.00 C ATOM 0 H THR A 26 -7.581 6.543 2.310 1.00 0.00 H new ATOM 0 HA THR A 26 -4.693 6.657 2.726 1.00 0.00 H new ATOM 0 HB THR A 26 -4.541 4.343 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.094 4.563 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.808 3.153 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.993 4.721 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.709 4.542 4.437 1.00 0.00 H new ATOM 340 N CYS A 27 -4.344 6.596 0.147 1.00 0.00 N ATOM 341 CA CYS A 27 -4.211 6.964 -1.257 1.00 0.00 C ATOM 342 C CYS A 27 -4.650 5.817 -2.164 1.00 0.00 C ATOM 343 O CYS A 27 -5.008 4.740 -1.689 1.00 0.00 O ATOM 344 CB CYS A 27 -2.764 7.350 -1.571 1.00 0.00 C ATOM 345 SG CYS A 27 -1.592 5.957 -1.504 1.00 0.00 S ATOM 0 H CYS A 27 -3.463 6.371 0.609 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.858 7.821 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.726 7.796 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.442 8.116 -0.865 1.00 0.00 H new ATOM 350 N GLU A 28 -4.619 6.059 -3.471 1.00 0.00 N ATOM 351 CA GLU A 28 -5.015 5.046 -4.443 1.00 0.00 C ATOM 352 C GLU A 28 -3.949 3.961 -4.563 1.00 0.00 C ATOM 353 O GLU A 28 -4.251 2.812 -4.880 1.00 0.00 O ATOM 354 CB GLU A 28 -5.261 5.689 -5.810 1.00 0.00 C ATOM 355 CG GLU A 28 -6.061 6.979 -5.741 1.00 0.00 C ATOM 356 CD GLU A 28 -5.179 8.204 -5.593 1.00 0.00 C ATOM 357 OE1 GLU A 28 -4.845 8.559 -4.443 1.00 0.00 O ATOM 358 OE2 GLU A 28 -4.824 8.808 -6.627 1.00 0.00 O ATOM 0 H GLU A 28 -4.325 6.946 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.939 4.585 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.301 5.892 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.788 4.978 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.664 7.077 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.752 6.929 -4.899 1.00 0.00 H new ATOM 365 N GLY A 29 -2.699 4.337 -4.308 1.00 0.00 N ATOM 366 CA GLY A 29 -1.607 3.386 -4.394 1.00 0.00 C ATOM 367 C GLY A 29 -1.697 2.302 -3.337 1.00 0.00 C ATOM 368 O GLY A 29 -1.429 1.132 -3.613 1.00 0.00 O ATOM 0 H GLY A 29 -2.424 5.283 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.607 2.926 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.660 3.915 -4.288 1.00 0.00 H new ATOM 372 N CYS A 30 -2.074 2.691 -2.124 1.00 0.00 N ATOM 373 CA CYS A 30 -2.197 1.746 -1.021 1.00 0.00 C ATOM 374 C CYS A 30 -3.576 1.094 -1.015 1.00 0.00 C ATOM 375 O CYS A 30 -3.714 -0.091 -0.710 1.00 0.00 O ATOM 376 CB CYS A 30 -1.948 2.452 0.313 1.00 0.00 C ATOM 377 SG CYS A 30 -0.287 3.183 0.470 1.00 0.00 S ATOM 0 H CYS A 30 -2.300 3.655 -1.880 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.447 0.967 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.692 3.238 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.097 1.738 1.123 1.00 0.00 H new ATOM 382 N LYS A 31 -4.596 1.876 -1.355 1.00 0.00 N ATOM 383 CA LYS A 31 -5.965 1.376 -1.391 1.00 0.00 C ATOM 384 C LYS A 31 -6.039 0.046 -2.134 1.00 0.00 C ATOM 385 O LYS A 31 -6.556 -0.941 -1.610 1.00 0.00 O ATOM 386 CB LYS A 31 -6.885 2.399 -2.061 1.00 0.00 C ATOM 387 CG LYS A 31 -8.271 1.859 -2.370 1.00 0.00 C ATOM 388 CD LYS A 31 -8.865 2.520 -3.602 1.00 0.00 C ATOM 389 CE LYS A 31 -8.188 2.035 -4.875 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.698 0.702 -5.301 1.00 0.00 N ATOM 0 H LYS A 31 -4.500 2.859 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.295 1.217 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.980 3.270 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.422 2.740 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.216 0.781 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.926 2.025 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.933 2.306 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.760 3.602 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.353 2.759 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.111 1.978 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.212 0.406 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.518 0.005 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.721 0.762 -5.479 1.00 0.00 H new ATOM 404 N SER A 32 -5.519 0.026 -3.357 1.00 0.00 N ATOM 405 CA SER A 32 -5.528 -1.182 -4.173 1.00 0.00 C ATOM 406 C SER A 32 -4.477 -2.175 -3.685 1.00 0.00 C ATOM 407 O SER A 32 -4.751 -3.367 -3.542 1.00 0.00 O ATOM 408 CB SER A 32 -5.276 -0.834 -5.641 1.00 0.00 C ATOM 409 OG SER A 32 -5.267 -1.999 -6.447 1.00 0.00 O ATOM 0 H SER A 32 -5.086 0.834 -3.805 1.00 0.00 H new ATOM 0 HA SER A 32 -6.510 -1.645 -4.081 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.048 -0.150 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.322 -0.315 -5.736 1.00 0.00 H new ATOM 0 HG SER A 32 -5.106 -1.749 -7.381 1.00 0.00 H new ATOM 415 N PHE A 33 -3.273 -1.675 -3.432 1.00 0.00 N ATOM 416 CA PHE A 33 -2.179 -2.517 -2.962 1.00 0.00 C ATOM 417 C PHE A 33 -2.619 -3.368 -1.775 1.00 0.00 C ATOM 418 O PHE A 33 -2.161 -4.498 -1.603 1.00 0.00 O ATOM 419 CB PHE A 33 -0.977 -1.655 -2.568 1.00 0.00 C ATOM 420 CG PHE A 33 0.098 -2.418 -1.848 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.050 -3.134 -2.556 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.156 -2.420 -0.464 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.040 -3.838 -1.896 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.144 -3.122 0.201 1.00 0.00 C ATOM 425 CZ PHE A 33 2.087 -3.831 -0.516 1.00 0.00 C ATOM 0 H PHE A 33 -3.030 -0.691 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.890 -3.182 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.553 -1.205 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.319 -0.838 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.018 -3.142 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.579 -1.867 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.776 -4.393 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.178 -3.116 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.860 -4.379 0.002 1.00 0.00 H new ATOM 435 N PHE A 34 -3.511 -2.817 -0.958 1.00 0.00 N ATOM 436 CA PHE A 34 -4.013 -3.525 0.214 1.00 0.00 C ATOM 437 C PHE A 34 -5.007 -4.610 -0.189 1.00 0.00 C ATOM 438 O PHE A 34 -4.927 -5.746 0.277 1.00 0.00 O ATOM 439 CB PHE A 34 -4.677 -2.544 1.183 1.00 0.00 C ATOM 440 CG PHE A 34 -5.318 -3.210 2.366 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.563 -3.980 3.237 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.675 -3.068 2.608 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.150 -4.595 4.327 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.266 -3.680 3.697 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.503 -4.445 4.557 1.00 0.00 C ATOM 0 H PHE A 34 -3.901 -1.883 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.166 -3.999 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.930 -1.834 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.432 -1.971 0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.504 -4.101 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.277 -2.472 1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.551 -5.192 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.324 -3.560 3.875 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.964 -4.925 5.408 1.00 0.00 H new ATOM 455 N LYS A 35 -5.944 -4.250 -1.060 1.00 0.00 N ATOM 456 CA LYS A 35 -6.955 -5.191 -1.528 1.00 0.00 C ATOM 457 C LYS A 35 -6.315 -6.326 -2.322 1.00 0.00 C ATOM 458 O LYS A 35 -6.379 -7.489 -1.923 1.00 0.00 O ATOM 459 CB LYS A 35 -7.991 -4.470 -2.393 1.00 0.00 C ATOM 460 CG LYS A 35 -8.752 -5.394 -3.328 1.00 0.00 C ATOM 461 CD LYS A 35 -9.613 -4.612 -4.306 1.00 0.00 C ATOM 462 CE LYS A 35 -8.881 -4.360 -5.615 1.00 0.00 C ATOM 463 NZ LYS A 35 -8.120 -3.081 -5.588 1.00 0.00 N ATOM 0 H LYS A 35 -6.024 -3.313 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.452 -5.616 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.701 -3.959 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.489 -3.703 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.047 -6.016 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.381 -6.066 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.533 -5.162 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.900 -3.660 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.197 -5.185 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.600 -4.338 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.184 -2.620 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.521 -2.454 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.123 -3.275 -5.365 1.00 0.00 H new ATOM 477 N ARG A 36 -5.698 -5.980 -3.447 1.00 0.00 N ATOM 478 CA ARG A 36 -5.046 -6.969 -4.297 1.00 0.00 C ATOM 479 C ARG A 36 -4.357 -8.039 -3.455 1.00 0.00 C ATOM 480 O ARG A 36 -4.169 -9.170 -3.903 1.00 0.00 O ATOM 481 CB ARG A 36 -4.026 -6.293 -5.215 1.00 0.00 C ATOM 482 CG ARG A 36 -2.761 -5.851 -4.498 1.00 0.00 C ATOM 483 CD ARG A 36 -1.557 -5.875 -5.428 1.00 0.00 C ATOM 484 NE ARG A 36 -1.254 -7.225 -5.896 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.029 -7.640 -6.198 1.00 0.00 C ATOM 486 NH1 ARG A 36 1.002 -6.814 -6.082 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.167 -8.884 -6.618 1.00 0.00 N ATOM 0 H ARG A 36 -5.636 -5.022 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.812 -7.447 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.758 -6.982 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.490 -5.425 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.898 -4.844 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.577 -6.505 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.748 -5.229 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.689 -5.468 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.025 -7.885 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.855 -5.857 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.942 -7.135 -6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.624 -9.522 -6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.108 -9.202 -6.850 1.00 0.00 H new ATOM 501 N SER A 37 -3.982 -7.673 -2.233 1.00 0.00 N ATOM 502 CA SER A 37 -3.310 -8.600 -1.330 1.00 0.00 C ATOM 503 C SER A 37 -4.301 -9.211 -0.343 1.00 0.00 C ATOM 504 O SER A 37 -4.223 -10.397 -0.022 1.00 0.00 O ATOM 505 CB SER A 37 -2.192 -7.885 -0.571 1.00 0.00 C ATOM 506 OG SER A 37 -2.693 -6.768 0.143 1.00 0.00 O ATOM 0 H SER A 37 -4.132 -6.741 -1.846 1.00 0.00 H new ATOM 0 HA SER A 37 -2.878 -9.402 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.717 -8.580 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.424 -7.558 -1.272 1.00 0.00 H new ATOM 0 HG SER A 37 -3.635 -6.628 -0.088 1.00 0.00 H new ATOM 512 N VAL A 38 -5.232 -8.392 0.135 1.00 0.00 N ATOM 513 CA VAL A 38 -6.239 -8.850 1.084 1.00 0.00 C ATOM 514 C VAL A 38 -7.288 -9.717 0.397 1.00 0.00 C ATOM 515 O VAL A 38 -7.505 -10.867 0.779 1.00 0.00 O ATOM 516 CB VAL A 38 -6.940 -7.665 1.775 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.086 -8.156 2.646 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.942 -6.861 2.595 1.00 0.00 C ATOM 0 H VAL A 38 -5.310 -7.407 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.718 -9.443 1.836 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.354 -7.012 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.569 -7.305 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.812 -8.684 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.699 -8.831 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.454 -6.028 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.497 -7.502 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.159 -6.477 1.941 1.00 0.00 H new ATOM 528 N ARG A 39 -7.937 -9.157 -0.619 1.00 0.00 N ATOM 529 CA ARG A 39 -8.965 -9.879 -1.359 1.00 0.00 C ATOM 530 C ARG A 39 -8.396 -11.153 -1.977 1.00 0.00 C ATOM 531 O ARG A 39 -9.131 -12.101 -2.255 1.00 0.00 O ATOM 532 CB ARG A 39 -9.555 -8.988 -2.454 1.00 0.00 C ATOM 533 CG ARG A 39 -8.600 -8.728 -3.608 1.00 0.00 C ATOM 534 CD ARG A 39 -8.753 -9.772 -4.703 1.00 0.00 C ATOM 535 NE ARG A 39 -10.000 -9.608 -5.445 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.582 -10.587 -6.129 1.00 0.00 C ATOM 537 NH1 ARG A 39 -10.032 -11.793 -6.165 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.716 -10.361 -6.779 1.00 0.00 N ATOM 0 H ARG A 39 -7.769 -8.206 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.754 -10.156 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.461 -9.454 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.850 -8.035 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.787 -7.736 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.574 -8.732 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.910 -9.702 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.722 -10.768 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.449 -8.692 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.160 -11.971 -5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.481 -12.543 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.142 -9.435 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.162 -11.114 -7.304 1.00 0.00 H new ATOM 552 N ARG A 40 -7.084 -11.167 -2.190 1.00 0.00 N ATOM 553 CA ARG A 40 -6.418 -12.324 -2.776 1.00 0.00 C ATOM 554 C ARG A 40 -5.808 -13.207 -1.692 1.00 0.00 C ATOM 555 O ARG A 40 -5.540 -14.387 -1.917 1.00 0.00 O ATOM 556 CB ARG A 40 -5.330 -11.871 -3.752 1.00 0.00 C ATOM 557 CG ARG A 40 -5.873 -11.176 -4.990 1.00 0.00 C ATOM 558 CD ARG A 40 -4.975 -11.405 -6.196 1.00 0.00 C ATOM 559 NE ARG A 40 -5.665 -11.123 -7.452 1.00 0.00 N ATOM 560 CZ ARG A 40 -5.318 -11.659 -8.617 1.00 0.00 C ATOM 561 NH1 ARG A 40 -4.296 -12.500 -8.685 1.00 0.00 N ATOM 562 NH2 ARG A 40 -5.994 -11.353 -9.717 1.00 0.00 N ATOM 0 H ARG A 40 -6.462 -10.391 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.164 -12.906 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.649 -11.195 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.746 -12.738 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.875 -11.546 -5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.962 -10.107 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.092 -10.770 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.626 -12.438 -6.198 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.456 -10.480 -7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.774 -12.737 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.032 -12.910 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.781 -10.706 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.727 -11.765 -10.611 1.00 0.00 H new ATOM 576 N ASN A 41 -5.592 -12.628 -0.516 1.00 0.00 N ATOM 577 CA ASN A 41 -5.013 -13.362 0.603 1.00 0.00 C ATOM 578 C ASN A 41 -3.552 -13.708 0.329 1.00 0.00 C ATOM 579 O ASN A 41 -3.156 -14.873 0.396 1.00 0.00 O ATOM 580 CB ASN A 41 -5.810 -14.640 0.869 1.00 0.00 C ATOM 581 CG ASN A 41 -7.308 -14.417 0.775 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.811 -13.925 -0.234 1.00 0.00 O ATOM 583 ND2 ASN A 41 -8.027 -14.780 1.831 1.00 0.00 N ATOM 0 H ASN A 41 -5.809 -11.652 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.058 -12.724 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.514 -15.406 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.563 -15.019 1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.039 -14.655 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.567 -15.184 2.647 1.00 0.00 H new ATOM 590 N LEU A 42 -2.756 -12.690 0.021 1.00 0.00 N ATOM 591 CA LEU A 42 -1.339 -12.886 -0.262 1.00 0.00 C ATOM 592 C LEU A 42 -0.497 -12.665 0.990 1.00 0.00 C ATOM 593 O LEU A 42 -1.019 -12.311 2.048 1.00 0.00 O ATOM 594 CB LEU A 42 -0.884 -11.934 -1.370 1.00 0.00 C ATOM 595 CG LEU A 42 -1.836 -11.782 -2.557 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.385 -10.645 -3.461 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.925 -13.084 -3.340 1.00 0.00 C ATOM 0 H LEU A 42 -3.068 -11.721 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.200 -13.915 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.722 -10.949 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.080 -12.279 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.828 -11.543 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.074 -10.552 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.374 -9.713 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.383 -10.854 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.607 -12.957 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.936 -13.353 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.296 -13.876 -2.689 1.00 0.00 H new ATOM 609 N THR A 43 0.809 -12.876 0.864 1.00 0.00 N ATOM 610 CA THR A 43 1.724 -12.699 1.985 1.00 0.00 C ATOM 611 C THR A 43 3.132 -12.375 1.500 1.00 0.00 C ATOM 612 O THR A 43 3.776 -13.192 0.841 1.00 0.00 O ATOM 613 CB THR A 43 1.776 -13.958 2.872 1.00 0.00 C ATOM 614 OG1 THR A 43 0.450 -14.341 3.256 1.00 0.00 O ATOM 615 CG2 THR A 43 2.617 -13.710 4.114 1.00 0.00 C ATOM 0 H THR A 43 1.257 -13.170 -0.004 1.00 0.00 H new ATOM 0 HA THR A 43 1.344 -11.864 2.574 1.00 0.00 H new ATOM 0 HB THR A 43 2.234 -14.763 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.491 -15.143 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.639 -14.613 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.633 -13.447 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.183 -12.893 4.690 1.00 0.00 H new ATOM 623 N TYR A 44 3.605 -11.178 1.830 1.00 0.00 N ATOM 624 CA TYR A 44 4.938 -10.745 1.426 1.00 0.00 C ATOM 625 C TYR A 44 5.957 -11.018 2.528 1.00 0.00 C ATOM 626 O TYR A 44 5.705 -10.751 3.704 1.00 0.00 O ATOM 627 CB TYR A 44 4.930 -9.255 1.080 1.00 0.00 C ATOM 628 CG TYR A 44 3.773 -8.844 0.198 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.705 -9.255 -1.128 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.749 -8.045 0.690 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.650 -8.882 -1.938 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.689 -7.668 -0.113 1.00 0.00 C ATOM 633 CZ TYR A 44 1.644 -8.089 -1.425 1.00 0.00 C ATOM 634 OH TYR A 44 0.591 -7.714 -2.228 1.00 0.00 O ATOM 0 H TYR A 44 3.086 -10.491 2.376 1.00 0.00 H new ATOM 0 HA TYR A 44 5.225 -11.315 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.895 -8.677 2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.865 -9.002 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.490 -9.877 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.782 -7.713 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.613 -9.209 -2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.900 -7.047 0.285 1.00 0.00 H new ATOM 0 HH TYR A 44 0.430 -8.407 -2.902 1.00 0.00 H new ATOM 644 N THR A 45 7.111 -11.552 2.140 1.00 0.00 N ATOM 645 CA THR A 45 8.169 -11.862 3.093 1.00 0.00 C ATOM 646 C THR A 45 9.225 -10.763 3.118 1.00 0.00 C ATOM 647 O THR A 45 10.224 -10.832 2.401 1.00 0.00 O ATOM 648 CB THR A 45 8.848 -13.204 2.762 1.00 0.00 C ATOM 649 OG1 THR A 45 7.857 -14.221 2.572 1.00 0.00 O ATOM 650 CG2 THR A 45 9.799 -13.618 3.874 1.00 0.00 C ATOM 0 H THR A 45 7.336 -11.779 1.171 1.00 0.00 H new ATOM 0 HA THR A 45 7.700 -11.934 4.074 1.00 0.00 H new ATOM 0 HB THR A 45 9.421 -13.079 1.843 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.297 -15.071 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.267 -14.569 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.569 -12.856 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.244 -13.726 4.806 1.00 0.00 H new ATOM 658 N CYS A 46 9.000 -9.751 3.949 1.00 0.00 N ATOM 659 CA CYS A 46 9.932 -8.637 4.068 1.00 0.00 C ATOM 660 C CYS A 46 11.376 -9.123 3.975 1.00 0.00 C ATOM 661 O CYS A 46 11.852 -9.855 4.844 1.00 0.00 O ATOM 662 CB CYS A 46 9.714 -7.901 5.392 1.00 0.00 C ATOM 663 SG CYS A 46 10.853 -6.506 5.663 1.00 0.00 S ATOM 0 H CYS A 46 8.179 -9.680 4.550 1.00 0.00 H new ATOM 0 HA CYS A 46 9.745 -7.950 3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.689 -7.531 5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.824 -8.610 6.212 1.00 0.00 H new ATOM 668 N ARG A 47 12.066 -8.712 2.917 1.00 0.00 N ATOM 669 CA ARG A 47 13.455 -9.106 2.710 1.00 0.00 C ATOM 670 C ARG A 47 14.390 -8.291 3.599 1.00 0.00 C ATOM 671 O ARG A 47 15.608 -8.325 3.432 1.00 0.00 O ATOM 672 CB ARG A 47 13.845 -8.926 1.242 1.00 0.00 C ATOM 673 CG ARG A 47 15.088 -9.704 0.843 1.00 0.00 C ATOM 674 CD ARG A 47 14.850 -11.205 0.902 1.00 0.00 C ATOM 675 NE ARG A 47 15.889 -11.952 0.198 1.00 0.00 N ATOM 676 CZ ARG A 47 15.894 -12.142 -1.117 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.921 -11.643 -1.866 1.00 0.00 N ATOM 678 NH2 ARG A 47 16.874 -12.834 -1.684 1.00 0.00 N ATOM 0 H ARG A 47 11.686 -8.106 2.189 1.00 0.00 H new ATOM 0 HA ARG A 47 13.552 -10.158 2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.012 -9.240 0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.011 -7.867 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.387 -9.421 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.912 -9.439 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.815 -11.526 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.878 -11.435 0.465 1.00 0.00 H new ATOM 0 HE ARG A 47 16.652 -12.349 0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.166 -11.111 -1.433 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.928 -11.790 -2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.624 -13.220 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.878 -12.980 -2.694 1.00 0.00 H new ATOM 692 N ALA A 48 13.810 -7.558 4.544 1.00 0.00 N ATOM 693 CA ALA A 48 14.590 -6.736 5.460 1.00 0.00 C ATOM 694 C ALA A 48 14.197 -7.003 6.909 1.00 0.00 C ATOM 695 O ALA A 48 13.421 -7.914 7.193 1.00 0.00 O ATOM 696 CB ALA A 48 14.415 -5.262 5.127 1.00 0.00 C ATOM 0 H ALA A 48 12.802 -7.517 4.695 1.00 0.00 H new ATOM 0 HA ALA A 48 15.640 -7.002 5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.003 -4.660 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.753 -5.077 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.363 -4.992 5.215 1.00 0.00 H new ATOM 702 N ASN A 49 14.737 -6.202 7.822 1.00 0.00 N ATOM 703 CA ASN A 49 14.443 -6.353 9.242 1.00 0.00 C ATOM 704 C ASN A 49 13.094 -5.729 9.587 1.00 0.00 C ATOM 705 O ASN A 49 12.941 -5.097 10.632 1.00 0.00 O ATOM 706 CB ASN A 49 15.546 -5.709 10.084 1.00 0.00 C ATOM 707 CG ASN A 49 16.831 -6.514 10.067 1.00 0.00 C ATOM 708 OD1 ASN A 49 17.105 -7.288 10.984 1.00 0.00 O ATOM 709 ND2 ASN A 49 17.627 -6.335 9.019 1.00 0.00 N ATOM 0 H ASN A 49 15.381 -5.442 7.603 1.00 0.00 H new ATOM 0 HA ASN A 49 14.399 -7.419 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.745 -4.705 9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.200 -5.604 11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.505 -6.850 8.952 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.360 -5.683 8.281 1.00 0.00 H new ATOM 716 N ARG A 50 12.120 -5.912 8.702 1.00 0.00 N ATOM 717 CA ARG A 50 10.784 -5.367 8.913 1.00 0.00 C ATOM 718 C ARG A 50 10.858 -3.959 9.498 1.00 0.00 C ATOM 719 O ARG A 50 10.042 -3.582 10.337 1.00 0.00 O ATOM 720 CB ARG A 50 9.980 -6.276 9.844 1.00 0.00 C ATOM 721 CG ARG A 50 9.714 -7.657 9.267 1.00 0.00 C ATOM 722 CD ARG A 50 9.299 -8.642 10.348 1.00 0.00 C ATOM 723 NE ARG A 50 7.952 -8.373 10.845 1.00 0.00 N ATOM 724 CZ ARG A 50 7.520 -8.754 12.042 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.326 -9.415 12.862 1.00 0.00 N ATOM 726 NH2 ARG A 50 6.281 -8.472 12.423 1.00 0.00 N ATOM 0 H ARG A 50 12.231 -6.433 7.832 1.00 0.00 H new ATOM 0 HA ARG A 50 10.283 -5.315 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.517 -6.383 10.787 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.028 -5.797 10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.930 -7.592 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.610 -8.022 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.343 -9.656 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.007 -8.592 11.175 1.00 0.00 H new ATOM 0 HE ARG A 50 7.308 -7.865 10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.280 -9.632 12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.992 -9.706 13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.658 -7.962 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.951 -8.765 13.342 1.00 0.00 H new ATOM 740 N ASN A 51 11.842 -3.188 9.048 1.00 0.00 N ATOM 741 CA ASN A 51 12.023 -1.822 9.527 1.00 0.00 C ATOM 742 C ASN A 51 12.035 -0.835 8.364 1.00 0.00 C ATOM 743 O ASN A 51 12.413 0.326 8.525 1.00 0.00 O ATOM 744 CB ASN A 51 13.324 -1.707 10.323 1.00 0.00 C ATOM 745 CG ASN A 51 13.408 -2.724 11.444 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.597 -3.277 11.654 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 12.416 -3.009 12.114 1.00 0.00 N flip ATOM 0 H ASN A 51 12.526 -3.485 8.353 1.00 0.00 H new ATOM 0 HA ASN A 51 11.184 -1.577 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.171 -1.841 9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.404 -0.703 10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.522 -2.559 11.918 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.488 -3.695 12.866 1.00 0.00 H new ATOM 754 N CYS A 52 11.620 -1.304 7.192 1.00 0.00 N ATOM 755 CA CYS A 52 11.582 -0.463 6.001 1.00 0.00 C ATOM 756 C CYS A 52 10.680 0.748 6.218 1.00 0.00 C ATOM 757 O CYS A 52 9.521 0.627 6.614 1.00 0.00 O ATOM 758 CB CYS A 52 11.091 -1.270 4.798 1.00 0.00 C ATOM 759 SG CYS A 52 11.743 -2.969 4.725 1.00 0.00 S ATOM 0 H CYS A 52 11.305 -2.262 7.041 1.00 0.00 H new ATOM 0 HA CYS A 52 12.594 -0.109 5.804 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.002 -1.311 4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.370 -0.746 3.884 1.00 0.00 H new ATOM 764 N PRO A 53 11.223 1.945 5.953 1.00 0.00 N ATOM 765 CA PRO A 53 10.486 3.202 6.111 1.00 0.00 C ATOM 766 C PRO A 53 9.384 3.362 5.069 1.00 0.00 C ATOM 767 O PRO A 53 9.608 3.921 3.995 1.00 0.00 O ATOM 768 CB PRO A 53 11.563 4.273 5.919 1.00 0.00 C ATOM 769 CG PRO A 53 12.605 3.615 5.082 1.00 0.00 C ATOM 770 CD PRO A 53 12.600 2.164 5.478 1.00 0.00 C ATOM 0 HA PRO A 53 9.978 3.258 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.159 5.157 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.971 4.600 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.383 3.731 4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.584 4.063 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.842 1.517 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.332 1.958 6.259 1.00 0.00 H new ATOM 778 N ILE A 54 8.193 2.869 5.394 1.00 0.00 N ATOM 779 CA ILE A 54 7.056 2.959 4.486 1.00 0.00 C ATOM 780 C ILE A 54 6.546 4.393 4.385 1.00 0.00 C ATOM 781 O ILE A 54 5.796 4.858 5.243 1.00 0.00 O ATOM 782 CB ILE A 54 5.901 2.046 4.937 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.372 0.592 5.013 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.720 2.177 3.988 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.845 0.040 3.686 1.00 0.00 C ATOM 0 H ILE A 54 7.991 2.404 6.279 1.00 0.00 H new ATOM 0 HA ILE A 54 7.407 2.630 3.508 1.00 0.00 H new ATOM 0 HB ILE A 54 5.579 2.357 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.183 0.519 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.555 -0.027 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.912 1.525 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.373 3.210 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.028 1.889 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.164 -0.994 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.030 0.081 2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.683 0.635 3.322 1.00 0.00 H new ATOM 797 N ASP A 55 6.956 5.088 3.330 1.00 0.00 N ATOM 798 CA ASP A 55 6.539 6.468 3.114 1.00 0.00 C ATOM 799 C ASP A 55 6.414 6.772 1.624 1.00 0.00 C ATOM 800 O ASP A 55 6.972 6.061 0.788 1.00 0.00 O ATOM 801 CB ASP A 55 7.534 7.432 3.762 1.00 0.00 C ATOM 802 CG ASP A 55 7.244 7.662 5.232 1.00 0.00 C ATOM 803 OD1 ASP A 55 7.177 6.668 5.986 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.085 8.835 5.629 1.00 0.00 O ATOM 0 H ASP A 55 7.577 4.718 2.611 1.00 0.00 H new ATOM 0 HA ASP A 55 5.561 6.602 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.544 7.036 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.506 8.386 3.236 1.00 0.00 H new ATOM 809 N GLN A 56 5.678 7.830 1.300 1.00 0.00 N ATOM 810 CA GLN A 56 5.480 8.226 -0.089 1.00 0.00 C ATOM 811 C GLN A 56 6.816 8.466 -0.783 1.00 0.00 C ATOM 812 O GLN A 56 7.198 7.725 -1.690 1.00 0.00 O ATOM 813 CB GLN A 56 4.619 9.488 -0.164 1.00 0.00 C ATOM 814 CG GLN A 56 4.474 10.043 -1.571 1.00 0.00 C ATOM 815 CD GLN A 56 4.342 8.954 -2.617 1.00 0.00 C ATOM 816 OE1 GLN A 56 5.330 8.338 -3.017 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.116 8.710 -3.067 1.00 0.00 N ATOM 0 H GLN A 56 5.209 8.428 1.980 1.00 0.00 H new ATOM 0 HA GLN A 56 4.966 7.413 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.629 9.266 0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.056 10.254 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.598 10.690 -1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.340 10.662 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.325 9.245 -2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.966 7.988 -3.772 1.00 0.00 H new ATOM 826 N HIS A 57 7.523 9.505 -0.352 1.00 0.00 N ATOM 827 CA HIS A 57 8.818 9.843 -0.933 1.00 0.00 C ATOM 828 C HIS A 57 8.847 9.516 -2.423 1.00 0.00 C ATOM 829 O HIS A 57 9.876 9.101 -2.958 1.00 0.00 O ATOM 830 CB HIS A 57 9.936 9.089 -0.211 1.00 0.00 C ATOM 831 CG HIS A 57 10.373 9.743 1.064 1.00 0.00 C ATOM 832 ND1 HIS A 57 11.687 9.779 1.479 1.00 0.00 N ATOM 833 CD2 HIS A 57 9.661 10.389 2.016 1.00 0.00 C ATOM 834 CE1 HIS A 57 11.765 10.418 2.633 1.00 0.00 C ATOM 835 NE2 HIS A 57 10.549 10.799 2.980 1.00 0.00 N ATOM 0 H HIS A 57 7.222 10.128 0.397 1.00 0.00 H new ATOM 0 HA HIS A 57 8.975 10.915 -0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.598 8.076 0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.794 9.002 -0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.593 10.552 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.669 10.598 3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.308 11.314 3.827 1.00 0.00 H new ATOM 843 N HIS A 58 7.712 9.705 -3.088 1.00 0.00 N ATOM 844 CA HIS A 58 7.608 9.430 -4.516 1.00 0.00 C ATOM 845 C HIS A 58 8.544 8.295 -4.921 1.00 0.00 C ATOM 846 O HIS A 58 9.276 8.402 -5.904 1.00 0.00 O ATOM 847 CB HIS A 58 7.933 10.687 -5.324 1.00 0.00 C ATOM 848 CG HIS A 58 9.252 11.301 -4.971 1.00 0.00 C ATOM 849 ND1 HIS A 58 10.515 10.923 -5.278 1.00 0.00 N flip ATOM 850 CD2 HIS A 58 9.370 12.445 -4.211 1.00 0.00 C flip ATOM 851 CE1 HIS A 58 11.365 11.837 -4.704 1.00 0.00 C flip ATOM 852 NE2 HIS A 58 10.649 12.745 -4.067 1.00 0.00 N flip ATOM 0 H HIS A 58 6.851 10.047 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 58 6.583 9.125 -4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.930 10.438 -6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.145 11.424 -5.167 1.00 0.00 H new ATOM 0 HD1 HIS A 58 10.785 10.111 -5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.546 13.008 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.443 11.816 -4.764 1.00 0.00 H new ATOM 860 N ARG A 59 8.514 7.209 -4.155 1.00 0.00 N ATOM 861 CA ARG A 59 9.361 6.055 -4.433 1.00 0.00 C ATOM 862 C ARG A 59 8.748 4.780 -3.860 1.00 0.00 C ATOM 863 O ARG A 59 7.982 4.826 -2.898 1.00 0.00 O ATOM 864 CB ARG A 59 10.758 6.269 -3.849 1.00 0.00 C ATOM 865 CG ARG A 59 11.824 5.391 -4.483 1.00 0.00 C ATOM 866 CD ARG A 59 13.101 5.381 -3.658 1.00 0.00 C ATOM 867 NE ARG A 59 12.867 4.915 -2.293 1.00 0.00 N ATOM 868 CZ ARG A 59 13.842 4.637 -1.435 1.00 0.00 C ATOM 869 NH1 ARG A 59 15.110 4.776 -1.797 1.00 0.00 N ATOM 870 NH2 ARG A 59 13.549 4.218 -0.210 1.00 0.00 N ATOM 0 H ARG A 59 7.913 7.104 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 59 9.440 5.945 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.039 7.315 -3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.728 6.073 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.446 4.373 -4.583 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.042 5.750 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.838 4.738 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.523 6.386 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 59 11.903 4.797 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.340 5.097 -2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.856 4.561 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.575 4.109 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.298 4.005 0.449 1.00 0.00 H new ATOM 884 N ASN A 60 9.091 3.644 -4.458 1.00 0.00 N ATOM 885 CA ASN A 60 8.574 2.357 -4.008 1.00 0.00 C ATOM 886 C ASN A 60 8.859 2.145 -2.524 1.00 0.00 C ATOM 887 O ASN A 60 9.479 2.988 -1.875 1.00 0.00 O ATOM 888 CB ASN A 60 9.194 1.221 -4.824 1.00 0.00 C ATOM 889 CG ASN A 60 10.709 1.221 -4.758 1.00 0.00 C ATOM 890 OD1 ASN A 60 11.251 0.778 -3.630 1.00 0.00 O flip ATOM 891 ND2 ASN A 60 11.383 1.614 -5.710 1.00 0.00 N flip ATOM 0 H ASN A 60 9.725 3.588 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 60 7.494 2.356 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.817 0.266 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.878 1.310 -5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.923 1.946 -6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.401 1.608 -5.651 1.00 0.00 H new ATOM 898 N GLN A 61 8.403 1.015 -1.995 1.00 0.00 N ATOM 899 CA GLN A 61 8.609 0.693 -0.587 1.00 0.00 C ATOM 900 C GLN A 61 8.307 -0.777 -0.315 1.00 0.00 C ATOM 901 O GLN A 61 7.535 -1.407 -1.039 1.00 0.00 O ATOM 902 CB GLN A 61 7.728 1.579 0.295 1.00 0.00 C ATOM 903 CG GLN A 61 6.256 1.540 -0.082 1.00 0.00 C ATOM 904 CD GLN A 61 5.406 2.447 0.786 1.00 0.00 C ATOM 905 OE1 GLN A 61 4.375 2.032 1.314 1.00 0.00 O ATOM 906 NE2 GLN A 61 5.837 3.694 0.938 1.00 0.00 N ATOM 0 H GLN A 61 7.889 0.307 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 61 9.656 0.880 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.837 1.266 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.083 2.608 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.144 1.834 -1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.891 0.517 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.698 3.995 0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.307 4.350 1.511 1.00 0.00 H new ATOM 915 N CYS A 62 8.921 -1.318 0.731 1.00 0.00 N ATOM 916 CA CYS A 62 8.719 -2.714 1.099 1.00 0.00 C ATOM 917 C CYS A 62 7.279 -3.144 0.834 1.00 0.00 C ATOM 918 O CYS A 62 6.359 -2.327 0.878 1.00 0.00 O ATOM 919 CB CYS A 62 9.063 -2.930 2.575 1.00 0.00 C ATOM 920 SG CYS A 62 9.089 -4.678 3.084 1.00 0.00 S ATOM 0 H CYS A 62 9.563 -0.810 1.340 1.00 0.00 H new ATOM 0 HA CYS A 62 9.381 -3.324 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.039 -2.489 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.338 -2.395 3.188 1.00 0.00 H new ATOM 925 N GLN A 63 7.092 -4.431 0.558 1.00 0.00 N ATOM 926 CA GLN A 63 5.765 -4.968 0.284 1.00 0.00 C ATOM 927 C GLN A 63 5.069 -5.384 1.576 1.00 0.00 C ATOM 928 O GLN A 63 3.909 -5.042 1.806 1.00 0.00 O ATOM 929 CB GLN A 63 5.861 -6.165 -0.664 1.00 0.00 C ATOM 930 CG GLN A 63 6.149 -5.777 -2.105 1.00 0.00 C ATOM 931 CD GLN A 63 6.004 -6.943 -3.063 1.00 0.00 C ATOM 932 OE1 GLN A 63 6.375 -8.073 -2.745 1.00 0.00 O ATOM 933 NE2 GLN A 63 5.462 -6.674 -4.245 1.00 0.00 N ATOM 0 H GLN A 63 7.843 -5.120 0.518 1.00 0.00 H new ATOM 0 HA GLN A 63 5.175 -4.184 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.646 -6.834 -0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.926 -6.724 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.470 -4.979 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.161 -5.378 -2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.168 -5.723 -4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.339 -7.419 -4.931 1.00 0.00 H new ATOM 942 N TYR A 64 5.785 -6.122 2.417 1.00 0.00 N ATOM 943 CA TYR A 64 5.235 -6.586 3.685 1.00 0.00 C ATOM 944 C TYR A 64 4.969 -5.414 4.625 1.00 0.00 C ATOM 945 O TYR A 64 3.820 -5.107 4.944 1.00 0.00 O ATOM 946 CB TYR A 64 6.193 -7.578 4.347 1.00 0.00 C ATOM 947 CG TYR A 64 6.001 -7.699 5.842 1.00 0.00 C ATOM 948 CD1 TYR A 64 5.069 -8.582 6.374 1.00 0.00 C ATOM 949 CD2 TYR A 64 6.751 -6.930 6.723 1.00 0.00 C ATOM 950 CE1 TYR A 64 4.889 -8.696 7.739 1.00 0.00 C ATOM 951 CE2 TYR A 64 6.579 -7.038 8.090 1.00 0.00 C ATOM 952 CZ TYR A 64 5.647 -7.922 8.593 1.00 0.00 C ATOM 953 OH TYR A 64 5.472 -8.031 9.953 1.00 0.00 O ATOM 0 H TYR A 64 6.747 -6.412 2.243 1.00 0.00 H new ATOM 0 HA TYR A 64 4.288 -7.086 3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.059 -8.559 3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.219 -7.270 4.145 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.475 -9.190 5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.481 -6.236 6.333 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.159 -9.387 8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.171 -6.433 8.761 1.00 0.00 H new ATOM 0 HH TYR A 64 5.264 -8.961 10.183 1.00 0.00 H new ATOM 963 N CYS A 65 6.040 -4.762 5.065 1.00 0.00 N ATOM 964 CA CYS A 65 5.925 -3.624 5.968 1.00 0.00 C ATOM 965 C CYS A 65 4.760 -2.724 5.564 1.00 0.00 C ATOM 966 O CYS A 65 3.971 -2.297 6.407 1.00 0.00 O ATOM 967 CB CYS A 65 7.226 -2.819 5.976 1.00 0.00 C ATOM 968 SG CYS A 65 8.661 -3.733 6.628 1.00 0.00 S ATOM 0 H CYS A 65 6.998 -5.003 4.810 1.00 0.00 H new ATOM 0 HA CYS A 65 5.735 -4.006 6.971 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.447 -2.495 4.959 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.080 -1.919 6.573 1.00 0.00 H new ATOM 973 N ARG A 66 4.660 -2.442 4.269 1.00 0.00 N ATOM 974 CA ARG A 66 3.593 -1.593 3.753 1.00 0.00 C ATOM 975 C ARG A 66 2.241 -2.292 3.862 1.00 0.00 C ATOM 976 O ARG A 66 1.252 -1.692 4.284 1.00 0.00 O ATOM 977 CB ARG A 66 3.870 -1.218 2.296 1.00 0.00 C ATOM 978 CG ARG A 66 2.713 -0.499 1.622 1.00 0.00 C ATOM 979 CD ARG A 66 2.926 -0.388 0.120 1.00 0.00 C ATOM 980 NE ARG A 66 2.296 0.807 -0.435 1.00 0.00 N ATOM 981 CZ ARG A 66 2.667 1.369 -1.580 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.660 0.847 -2.287 1.00 0.00 N ATOM 983 NH2 ARG A 66 2.045 2.455 -2.020 1.00 0.00 N ATOM 0 H ARG A 66 5.304 -2.789 3.558 1.00 0.00 H new ATOM 0 HA ARG A 66 3.562 -0.685 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.755 -0.583 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.101 -2.123 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.785 -1.035 1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.603 0.498 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.995 -0.367 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.520 -1.273 -0.370 1.00 0.00 H new ATOM 0 HE ARG A 66 1.529 1.233 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.141 0.012 -1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.943 1.280 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.281 2.860 -1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.331 2.885 -2.899 1.00 0.00 H new ATOM 997 N LEU A 67 2.206 -3.563 3.476 1.00 0.00 N ATOM 998 CA LEU A 67 0.976 -4.345 3.529 1.00 0.00 C ATOM 999 C LEU A 67 0.415 -4.382 4.947 1.00 0.00 C ATOM 1000 O LEU A 67 -0.772 -4.137 5.164 1.00 0.00 O ATOM 1001 CB LEU A 67 1.231 -5.769 3.032 1.00 0.00 C ATOM 1002 CG LEU A 67 0.143 -6.796 3.349 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.356 -7.388 4.733 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.236 -6.161 3.244 1.00 0.00 C ATOM 0 H LEU A 67 3.015 -4.074 3.123 1.00 0.00 H new ATOM 0 HA LEU A 67 0.243 -3.866 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.368 -5.736 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.170 -6.120 3.461 1.00 0.00 H new ATOM 0 HG LEU A 67 0.206 -7.602 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.427 -8.117 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.328 -7.879 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.320 -6.593 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.998 -6.906 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.311 -5.336 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.388 -5.786 2.232 1.00 0.00 H new ATOM 1016 N LYS A 68 1.277 -4.688 5.911 1.00 0.00 N ATOM 1017 CA LYS A 68 0.870 -4.754 7.310 1.00 0.00 C ATOM 1018 C LYS A 68 0.399 -3.391 7.804 1.00 0.00 C ATOM 1019 O LYS A 68 -0.684 -3.267 8.378 1.00 0.00 O ATOM 1020 CB LYS A 68 2.030 -5.250 8.177 1.00 0.00 C ATOM 1021 CG LYS A 68 2.573 -6.603 7.749 1.00 0.00 C ATOM 1022 CD LYS A 68 1.523 -7.692 7.879 1.00 0.00 C ATOM 1023 CE LYS A 68 1.221 -8.005 9.337 1.00 0.00 C ATOM 1024 NZ LYS A 68 2.459 -8.310 10.107 1.00 0.00 N ATOM 0 H LYS A 68 2.263 -4.894 5.749 1.00 0.00 H new ATOM 0 HA LYS A 68 0.040 -5.456 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.836 -4.517 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.698 -5.312 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.915 -6.548 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.440 -6.858 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.608 -7.379 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.870 -8.595 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.710 -7.157 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.540 -8.854 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.275 -9.096 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.220 -8.577 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.748 -7.470 10.647 1.00 0.00 H new ATOM 1038 N LYS A 69 1.217 -2.369 7.577 1.00 0.00 N ATOM 1039 CA LYS A 69 0.883 -1.013 7.996 1.00 0.00 C ATOM 1040 C LYS A 69 -0.603 -0.731 7.795 1.00 0.00 C ATOM 1041 O LYS A 69 -1.186 0.102 8.490 1.00 0.00 O ATOM 1042 CB LYS A 69 1.716 0.005 7.214 1.00 0.00 C ATOM 1043 CG LYS A 69 1.302 1.446 7.458 1.00 0.00 C ATOM 1044 CD LYS A 69 2.495 2.385 7.402 1.00 0.00 C ATOM 1045 CE LYS A 69 3.137 2.554 8.771 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.503 3.138 8.676 1.00 0.00 N ATOM 0 H LYS A 69 2.117 -2.454 7.105 1.00 0.00 H new ATOM 0 HA LYS A 69 1.112 -0.922 9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.766 -0.113 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.634 -0.212 6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.566 1.746 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.819 1.527 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.232 1.997 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.177 3.357 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.510 3.196 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.190 1.586 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.905 3.237 9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.109 2.513 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.450 4.073 8.224 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.209 -1.431 6.843 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.628 -1.257 6.552 1.00 0.00 C ATOM 1062 C CYS A 70 -3.487 -1.780 7.698 1.00 0.00 C ATOM 1063 O CYS A 70 -4.406 -1.102 8.160 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.996 -1.977 5.254 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.111 -1.371 3.797 1.00 0.00 S ATOM 0 H CYS A 70 -0.741 -2.124 6.259 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.821 -0.191 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.794 -3.042 5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.068 -1.873 5.084 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.830 -1.493 3.985 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.183 -2.991 8.153 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.929 -3.607 9.246 1.00 0.00 C ATOM 1073 C LEU A 71 -3.655 -2.890 10.564 1.00 0.00 C ATOM 1074 O LEU A 71 -4.368 -3.083 11.548 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.560 -5.086 9.370 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.681 -5.918 8.093 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.032 -7.280 8.279 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.142 -6.072 7.693 1.00 0.00 C ATOM 0 H LEU A 71 -2.426 -3.566 7.783 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.992 -3.521 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.533 -5.155 9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.195 -5.535 10.134 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.158 -5.396 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.128 -7.858 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.976 -7.150 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.525 -7.810 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.209 -6.667 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.688 -6.571 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.577 -5.088 7.517 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.617 -2.060 10.576 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.250 -1.311 11.771 1.00 0.00 C ATOM 1092 C LYS A 72 -3.006 0.012 11.838 1.00 0.00 C ATOM 1093 O LYS A 72 -3.726 0.279 12.801 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.742 -1.049 11.791 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.270 -0.300 13.025 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.312 1.204 12.814 1.00 0.00 C ATOM 1097 CE LYS A 72 0.118 1.954 14.066 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.576 1.803 14.330 1.00 0.00 N ATOM 0 H LYS A 72 -2.015 -1.889 9.770 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.521 -1.909 12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.216 -2.002 11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.469 -0.478 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.897 -0.567 13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.747 -0.606 13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.341 1.475 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.322 1.506 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.124 3.011 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.446 1.585 14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.845 2.396 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.789 0.808 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.113 2.100 13.491 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.840 0.837 10.809 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.509 2.131 10.750 1.00 0.00 C ATOM 1114 C VAL A 73 -5.005 1.988 11.010 1.00 0.00 C ATOM 1115 O VAL A 73 -5.617 2.837 11.658 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.300 2.810 9.384 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.826 3.110 9.157 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.853 1.939 8.266 1.00 0.00 C ATOM 0 H VAL A 73 -2.248 0.632 10.004 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.065 2.752 11.528 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.844 3.755 9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.698 3.590 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.465 3.775 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.258 2.180 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.697 2.434 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.339 0.978 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.920 1.780 8.423 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.588 0.907 10.501 1.00 0.00 N ATOM 1129 CA GLY A 74 -7.008 0.672 10.689 1.00 0.00 C ATOM 1130 C GLY A 74 -7.612 -0.151 9.569 1.00 0.00 C ATOM 1131 O GLY A 74 -8.533 -0.936 9.795 1.00 0.00 O ATOM 0 H GLY A 74 -5.103 0.190 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.166 0.160 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.526 1.629 10.753 1.00 0.00 H new ATOM 1135 N MET A 75 -7.095 0.028 8.359 1.00 0.00 N ATOM 1136 CA MET A 75 -7.591 -0.705 7.199 1.00 0.00 C ATOM 1137 C MET A 75 -7.996 -2.124 7.586 1.00 0.00 C ATOM 1138 O MET A 75 -7.148 -2.950 7.924 1.00 0.00 O ATOM 1139 CB MET A 75 -6.525 -0.747 6.102 1.00 0.00 C ATOM 1140 CG MET A 75 -5.941 0.616 5.770 1.00 0.00 C ATOM 1141 SD MET A 75 -4.955 0.600 4.260 1.00 0.00 S ATOM 1142 CE MET A 75 -6.211 0.220 3.041 1.00 0.00 C ATOM 0 H MET A 75 -6.333 0.674 8.155 1.00 0.00 H new ATOM 0 HA MET A 75 -8.471 -0.185 6.820 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.720 -1.412 6.415 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.961 -1.176 5.200 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.751 1.338 5.663 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.321 0.953 6.601 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.769 -0.362 2.232 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.009 -0.357 3.508 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.621 1.147 2.640 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.295 -2.398 7.534 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.811 -3.717 7.880 1.00 0.00 C ATOM 1154 C ARG A 76 -10.015 -4.567 6.629 1.00 0.00 C ATOM 1155 O ARG A 76 -10.611 -4.117 5.651 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.132 -3.587 8.642 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.222 -2.880 7.854 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.361 -2.433 8.756 1.00 0.00 C ATOM 1159 NE ARG A 76 -12.995 -1.274 9.566 1.00 0.00 N ATOM 1160 CZ ARG A 76 -13.558 -0.987 10.735 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -14.507 -1.770 11.227 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -13.171 0.086 11.413 1.00 0.00 N ATOM 0 H ARG A 76 -10.009 -1.725 7.256 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.078 -4.211 8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.482 -4.582 8.918 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.955 -3.043 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.800 -2.015 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.607 -3.548 7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.231 -2.189 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.650 -3.256 9.410 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.268 -0.651 9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.807 -2.595 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.937 -1.547 12.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.441 0.691 11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.604 0.306 12.310 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.515 -5.798 6.669 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.640 -6.710 5.538 1.00 0.00 C ATOM 1178 C ARG A 77 -11.106 -6.919 5.169 1.00 0.00 C ATOM 1179 O ARG A 77 -11.476 -6.844 3.998 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.989 -8.055 5.866 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.516 -7.947 6.226 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.927 -9.304 6.579 1.00 0.00 C ATOM 1183 NE ARG A 77 -7.272 -9.713 7.937 1.00 0.00 N ATOM 1184 CZ ARG A 77 -7.245 -10.974 8.354 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.889 -11.943 7.522 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -7.572 -11.268 9.606 1.00 0.00 N ATOM 0 H ARG A 77 -9.020 -6.186 7.472 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.128 -6.265 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.524 -8.515 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.097 -8.720 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.966 -7.517 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.395 -7.267 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.289 -10.051 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.843 -9.266 6.476 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.549 -8.991 8.602 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.635 -11.721 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.869 -12.910 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.845 -10.525 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.551 -12.237 9.925 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.933 -7.183 6.175 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.357 -7.404 5.955 1.00 0.00 C ATOM 1202 C GLU A 78 -13.909 -6.417 4.931 1.00 0.00 C ATOM 1203 O GLU A 78 -14.724 -6.776 4.082 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.126 -7.275 7.271 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.028 -5.895 7.900 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.236 -5.922 9.401 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -13.423 -6.562 10.101 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -15.212 -5.304 9.877 1.00 0.00 O ATOM 0 H GLU A 78 -11.641 -7.249 7.150 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.485 -8.414 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.175 -7.511 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.748 -8.015 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.049 -5.468 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.771 -5.239 7.446 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.459 -5.169 5.018 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.906 -4.129 4.100 1.00 0.00 C ATOM 1217 C ALA A 79 -13.627 -4.519 2.652 1.00 0.00 C ATOM 1218 O ALA A 79 -14.510 -4.447 1.798 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.232 -2.806 4.432 1.00 0.00 C ATOM 0 H ALA A 79 -12.785 -4.854 5.716 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.984 -4.014 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.575 -2.039 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.486 -2.514 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.151 -2.916 4.345 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.392 -4.931 2.383 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.996 -5.332 1.038 1.00 0.00 C ATOM 1227 C VAL A 80 -12.925 -6.410 0.490 1.00 0.00 C ATOM 1228 O VAL A 80 -13.375 -6.333 -0.652 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.548 -5.856 1.012 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.138 -6.222 -0.407 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.598 -4.824 1.601 1.00 0.00 C ATOM 0 H VAL A 80 -11.649 -4.996 3.078 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.064 -4.444 0.410 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.494 -6.757 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.112 -6.590 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.802 -6.998 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.206 -5.340 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.579 -5.211 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.652 -3.905 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.881 -4.616 2.633 1.00 0.00 H new ATOM 1241 N GLN A 81 -13.208 -7.414 1.314 1.00 0.00 N ATOM 1242 CA GLN A 81 -14.083 -8.508 0.912 1.00 0.00 C ATOM 1243 C GLN A 81 -14.890 -9.025 2.098 1.00 0.00 C ATOM 1244 O GLN A 81 -14.335 -9.324 3.156 1.00 0.00 O ATOM 1245 CB GLN A 81 -13.264 -9.647 0.302 1.00 0.00 C ATOM 1246 CG GLN A 81 -12.986 -9.471 -1.182 1.00 0.00 C ATOM 1247 CD GLN A 81 -14.190 -9.798 -2.044 1.00 0.00 C ATOM 1248 OE1 GLN A 81 -15.320 -9.434 -1.717 1.00 0.00 O ATOM 1249 NE2 GLN A 81 -13.953 -10.489 -3.153 1.00 0.00 N ATOM 0 H GLN A 81 -12.844 -7.492 2.264 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.777 -8.127 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.316 -9.726 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.795 -10.587 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.677 -8.443 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.153 -10.112 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.000 -10.770 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.724 -10.739 -3.773 1.00 0.00 H new ATOM 1258 N ARG A 82 -16.202 -9.127 1.916 1.00 0.00 N ATOM 1259 CA ARG A 82 -17.085 -9.606 2.973 1.00 0.00 C ATOM 1260 C ARG A 82 -17.597 -11.008 2.660 1.00 0.00 C ATOM 1261 O ARG A 82 -17.561 -11.898 3.509 1.00 0.00 O ATOM 1262 CB ARG A 82 -18.266 -8.649 3.153 1.00 0.00 C ATOM 1263 CG ARG A 82 -19.181 -9.021 4.308 1.00 0.00 C ATOM 1264 CD ARG A 82 -20.423 -8.145 4.340 1.00 0.00 C ATOM 1265 NE ARG A 82 -20.932 -7.966 5.697 1.00 0.00 N ATOM 1266 CZ ARG A 82 -21.762 -6.990 6.048 1.00 0.00 C ATOM 1267 NH1 ARG A 82 -22.174 -6.109 5.146 1.00 0.00 N ATOM 1268 NH2 ARG A 82 -22.181 -6.893 7.303 1.00 0.00 N ATOM 0 H ARG A 82 -16.677 -8.884 1.047 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.513 -9.645 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.884 -7.641 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -18.848 -8.627 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -19.475 -10.067 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.640 -8.921 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.191 -7.171 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.198 -8.593 3.718 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.634 -8.627 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.854 -6.180 4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.811 -5.361 5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.866 -7.568 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.818 -6.143 7.571 1.00 0.00 H new ATOM 1282 N GLY A 83 -18.074 -11.199 1.433 1.00 0.00 N ATOM 1283 CA GLY A 83 -18.587 -12.495 1.030 1.00 0.00 C ATOM 1284 C GLY A 83 -17.680 -13.194 0.036 1.00 0.00 C ATOM 1285 O GLY A 83 -17.653 -12.842 -1.143 1.00 0.00 O ATOM 0 H GLY A 83 -18.114 -10.479 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.708 -13.124 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.576 -12.370 0.589 1.00 0.00 H new ATOM 1289 N SER A 84 -16.934 -14.185 0.514 1.00 0.00 N ATOM 1290 CA SER A 84 -16.017 -14.931 -0.340 1.00 0.00 C ATOM 1291 C SER A 84 -16.699 -16.167 -0.920 1.00 0.00 C ATOM 1292 O SER A 84 -16.631 -16.421 -2.122 1.00 0.00 O ATOM 1293 CB SER A 84 -14.774 -15.344 0.450 1.00 0.00 C ATOM 1294 OG SER A 84 -14.098 -14.211 0.966 1.00 0.00 O ATOM 0 H SER A 84 -16.947 -14.490 1.487 1.00 0.00 H new ATOM 0 HA SER A 84 -15.717 -14.283 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.062 -16.004 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.101 -15.910 -0.194 1.00 0.00 H new ATOM 0 HG SER A 84 -13.308 -14.502 1.468 1.00 0.00 H new ATOM 1300 N GLY A 85 -17.357 -16.933 -0.055 1.00 0.00 N ATOM 1301 CA GLY A 85 -18.042 -18.133 -0.499 1.00 0.00 C ATOM 1302 C GLY A 85 -18.366 -19.072 0.646 1.00 0.00 C ATOM 1303 O GLY A 85 -18.352 -18.688 1.816 1.00 0.00 O ATOM 0 H GLY A 85 -17.428 -16.744 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -18.964 -17.854 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.421 -18.654 -1.228 1.00 0.00 H new ATOM 1307 N PRO A 86 -18.668 -20.336 0.313 1.00 0.00 N ATOM 1308 CA PRO A 86 -19.004 -21.359 1.308 1.00 0.00 C ATOM 1309 C PRO A 86 -17.800 -21.765 2.151 1.00 0.00 C ATOM 1310 O PRO A 86 -17.113 -22.738 1.840 1.00 0.00 O ATOM 1311 CB PRO A 86 -19.483 -22.537 0.457 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.815 -22.350 -0.861 1.00 0.00 C ATOM 1313 CD PRO A 86 -18.704 -20.864 -1.062 1.00 0.00 C ATOM 0 HA PRO A 86 -19.745 -21.004 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -19.207 -23.490 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.568 -22.536 0.354 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.831 -22.820 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.395 -22.810 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -17.804 -20.600 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.552 -20.470 -1.622 1.00 0.00 H new ATOM 1321 N SER A 87 -17.550 -21.014 3.218 1.00 0.00 N ATOM 1322 CA SER A 87 -16.426 -21.294 4.104 1.00 0.00 C ATOM 1323 C SER A 87 -16.847 -21.183 5.566 1.00 0.00 C ATOM 1324 O SER A 87 -17.932 -20.692 5.876 1.00 0.00 O ATOM 1325 CB SER A 87 -15.272 -20.332 3.819 1.00 0.00 C ATOM 1326 OG SER A 87 -14.038 -20.870 4.261 1.00 0.00 O ATOM 0 H SER A 87 -18.111 -20.207 3.490 1.00 0.00 H new ATOM 0 HA SER A 87 -16.093 -22.315 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.221 -20.127 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 87 -15.457 -19.380 4.317 1.00 0.00 H new ATOM 0 HG SER A 87 -13.316 -20.237 4.066 1.00 0.00 H new ATOM 1332 N SER A 88 -15.979 -21.643 6.462 1.00 0.00 N ATOM 1333 CA SER A 88 -16.260 -21.599 7.892 1.00 0.00 C ATOM 1334 C SER A 88 -14.966 -21.565 8.700 1.00 0.00 C ATOM 1335 O SER A 88 -13.958 -22.149 8.303 1.00 0.00 O ATOM 1336 CB SER A 88 -17.101 -22.809 8.305 1.00 0.00 C ATOM 1337 OG SER A 88 -16.389 -24.017 8.104 1.00 0.00 O ATOM 0 H SER A 88 -15.075 -22.050 6.222 1.00 0.00 H new ATOM 0 HA SER A 88 -16.821 -20.687 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.382 -22.719 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.025 -22.828 7.728 1.00 0.00 H new ATOM 0 HG SER A 88 -16.947 -24.775 8.377 1.00 0.00 H new ATOM 1343 N GLY A 89 -15.003 -20.876 9.836 1.00 0.00 N ATOM 1344 CA GLY A 89 -13.828 -20.778 10.683 1.00 0.00 C ATOM 1345 C GLY A 89 -13.064 -22.084 10.768 1.00 0.00 C ATOM 1346 O GLY A 89 -12.459 -22.358 11.803 1.00 0.00 O ATOM 0 H GLY A 89 -15.825 -20.384 10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.169 -20.000 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.130 -20.472 11.684 1.00 0.00 H new TER 1350 GLY A 89 HETATM 1351 ZN ZN A 191 -0.469 5.390 0.271 1.00 0.00 ZN HETATM 1352 ZN ZN A 241 10.159 -4.476 5.212 1.00 0.00 ZN