USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 140:sc= -3.23! USER MOD Set 1.2: A 77 ASN : amide:sc= -10.3! C(o=-14!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0344 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.13) USER MOD Single : A 22 MET CE :methyl -158:sc= 0 (180deg=-1.06) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -0.0993 (180deg=-0.591) USER MOD Single : A 36 HIS : no HE2:sc= -5.68! C(o=-5.7!,f=-5.6!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.426 F(o=-1.7,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= -1.47 (180deg=-2.45!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -26:sc= 0.806 USER MOD Single : A 55 ASN :FLIP amide:sc= -3.07! C(o=-5.6!,f=-3.1!) USER MOD Single : A 63 SER OG : rot -74:sc= 0.883 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -78:sc= -0.628 USER MOD Single : A 69 THR OG1 : rot -44:sc= 1.16 USER MOD Single : A 70 SER OG : rot 140:sc= -2.56! USER MOD Single : A 72 THR OG1 : rot -28:sc= 0.0277 USER MOD Single : A 73 GLN : amide:sc= -2.72! C(o=-2.7!,f=-2.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.0525 (180deg=-0.321) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.679 6.631 22.541 1.00 0.00 N ATOM 2 CA GLY A 1 -9.312 5.330 22.648 1.00 0.00 C ATOM 3 C GLY A 1 -9.804 4.813 21.310 1.00 0.00 C ATOM 4 O GLY A 1 -10.147 5.594 20.423 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.034 7.253 23.295 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.649 6.525 22.637 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.899 7.049 21.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.603 4.618 23.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.151 5.394 23.340 1.00 0.00 H new ATOM 8 N SER A 2 -9.838 3.492 21.164 1.00 0.00 N ATOM 9 CA SER A 2 -10.287 2.871 19.923 1.00 0.00 C ATOM 10 C SER A 2 -10.817 1.464 20.181 1.00 0.00 C ATOM 11 O SER A 2 -10.704 0.939 21.288 1.00 0.00 O ATOM 12 CB SER A 2 -9.141 2.819 18.911 1.00 0.00 C ATOM 13 OG SER A 2 -7.980 2.243 19.484 1.00 0.00 O ATOM 0 H SER A 2 -9.560 2.831 21.890 1.00 0.00 H new ATOM 0 HA SER A 2 -11.096 3.476 19.514 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.447 2.239 18.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.916 3.826 18.560 1.00 0.00 H new ATOM 0 HG SER A 2 -7.263 2.220 18.817 1.00 0.00 H new ATOM 19 N SER A 3 -11.397 0.859 19.149 1.00 0.00 N ATOM 20 CA SER A 3 -11.949 -0.486 19.262 1.00 0.00 C ATOM 21 C SER A 3 -11.672 -1.295 17.999 1.00 0.00 C ATOM 22 O SER A 3 -11.608 -0.748 16.899 1.00 0.00 O ATOM 23 CB SER A 3 -13.455 -0.422 19.521 1.00 0.00 C ATOM 24 OG SER A 3 -14.163 -0.109 18.334 1.00 0.00 O ATOM 0 H SER A 3 -11.497 1.279 18.225 1.00 0.00 H new ATOM 0 HA SER A 3 -11.464 -0.982 20.103 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.801 -1.378 19.913 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.665 0.329 20.282 1.00 0.00 H new ATOM 0 HG SER A 3 -15.124 -0.076 18.525 1.00 0.00 H new ATOM 30 N GLY A 4 -11.508 -2.604 18.166 1.00 0.00 N ATOM 31 CA GLY A 4 -11.240 -3.469 17.032 1.00 0.00 C ATOM 32 C GLY A 4 -12.473 -4.221 16.572 1.00 0.00 C ATOM 33 O GLY A 4 -13.544 -4.094 17.166 1.00 0.00 O ATOM 0 H GLY A 4 -11.556 -3.081 19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.854 -2.871 16.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.461 -4.183 17.300 1.00 0.00 H new ATOM 37 N SER A 5 -12.324 -5.006 15.510 1.00 0.00 N ATOM 38 CA SER A 5 -13.436 -5.777 14.967 1.00 0.00 C ATOM 39 C SER A 5 -12.957 -6.722 13.869 1.00 0.00 C ATOM 40 O SER A 5 -12.561 -6.286 12.788 1.00 0.00 O ATOM 41 CB SER A 5 -14.512 -4.840 14.414 1.00 0.00 C ATOM 42 OG SER A 5 -15.758 -5.505 14.302 1.00 0.00 O ATOM 0 H SER A 5 -11.444 -5.125 15.008 1.00 0.00 H new ATOM 0 HA SER A 5 -13.862 -6.372 15.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.616 -3.974 15.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.206 -4.467 13.437 1.00 0.00 H new ATOM 0 HG SER A 5 -16.429 -4.885 13.948 1.00 0.00 H new ATOM 48 N SER A 6 -12.996 -8.020 14.156 1.00 0.00 N ATOM 49 CA SER A 6 -12.562 -9.028 13.196 1.00 0.00 C ATOM 50 C SER A 6 -13.457 -9.022 11.960 1.00 0.00 C ATOM 51 O SER A 6 -14.463 -9.727 11.905 1.00 0.00 O ATOM 52 CB SER A 6 -12.574 -10.415 13.841 1.00 0.00 C ATOM 53 OG SER A 6 -11.414 -10.622 14.628 1.00 0.00 O ATOM 0 H SER A 6 -13.324 -8.398 15.045 1.00 0.00 H new ATOM 0 HA SER A 6 -11.545 -8.787 12.888 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.463 -10.523 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.633 -11.179 13.066 1.00 0.00 H new ATOM 0 HG SER A 6 -11.447 -11.515 15.031 1.00 0.00 H new ATOM 59 N GLY A 7 -13.081 -8.218 10.969 1.00 0.00 N ATOM 60 CA GLY A 7 -13.859 -8.134 9.747 1.00 0.00 C ATOM 61 C GLY A 7 -13.044 -7.627 8.574 1.00 0.00 C ATOM 62 O GLY A 7 -13.062 -6.436 8.266 1.00 0.00 O ATOM 0 H GLY A 7 -12.252 -7.624 10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.261 -9.118 9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.710 -7.472 9.907 1.00 0.00 H new ATOM 66 N ASN A 8 -12.325 -8.532 7.920 1.00 0.00 N ATOM 67 CA ASN A 8 -11.497 -8.169 6.775 1.00 0.00 C ATOM 68 C ASN A 8 -11.235 -9.381 5.887 1.00 0.00 C ATOM 69 O ASN A 8 -10.860 -10.450 6.371 1.00 0.00 O ATOM 70 CB ASN A 8 -10.169 -7.573 7.249 1.00 0.00 C ATOM 71 CG ASN A 8 -9.530 -8.390 8.355 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.577 -8.014 9.526 1.00 0.00 O ATOM 73 ND2 ASN A 8 -8.929 -9.516 7.987 1.00 0.00 N ATOM 0 H ASN A 8 -12.298 -9.522 8.163 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.035 -7.423 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.482 -7.508 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.336 -6.556 7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.482 -10.108 8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.915 -9.789 7.004 1.00 0.00 H new ATOM 80 N LEU A 9 -11.433 -9.208 4.585 1.00 0.00 N ATOM 81 CA LEU A 9 -11.218 -10.287 3.627 1.00 0.00 C ATOM 82 C LEU A 9 -11.315 -9.772 2.195 1.00 0.00 C ATOM 83 O LEU A 9 -11.875 -8.704 1.945 1.00 0.00 O ATOM 84 CB LEU A 9 -12.239 -11.404 3.850 1.00 0.00 C ATOM 85 CG LEU A 9 -12.009 -12.691 3.057 1.00 0.00 C ATOM 86 CD1 LEU A 9 -12.526 -13.894 3.831 1.00 0.00 C ATOM 87 CD2 LEU A 9 -12.679 -12.604 1.693 1.00 0.00 C ATOM 0 H LEU A 9 -11.742 -8.330 4.168 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.215 -10.683 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.251 -11.652 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.228 -11.020 3.602 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.937 -12.815 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.354 -14.801 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.001 -13.967 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.594 -13.777 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.505 -13.529 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.751 -12.455 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.262 -11.766 1.135 1.00 0.00 H new ATOM 99 N ASP A 10 -10.768 -10.537 1.258 1.00 0.00 N ATOM 100 CA ASP A 10 -10.795 -10.160 -0.150 1.00 0.00 C ATOM 101 C ASP A 10 -10.847 -11.396 -1.043 1.00 0.00 C ATOM 102 O ASP A 10 -9.997 -12.280 -0.946 1.00 0.00 O ATOM 103 CB ASP A 10 -9.568 -9.316 -0.498 1.00 0.00 C ATOM 104 CG ASP A 10 -9.782 -8.466 -1.735 1.00 0.00 C ATOM 105 OD1 ASP A 10 -10.884 -7.897 -1.881 1.00 0.00 O ATOM 106 OD2 ASP A 10 -8.847 -8.370 -2.558 1.00 0.00 O ATOM 0 H ASP A 10 -10.300 -11.423 1.448 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.694 -9.569 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.324 -8.670 0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.712 -9.972 -0.655 1.00 0.00 H new ATOM 111 N ALA A 11 -11.852 -11.450 -1.912 1.00 0.00 N ATOM 112 CA ALA A 11 -12.015 -12.577 -2.822 1.00 0.00 C ATOM 113 C ALA A 11 -11.429 -12.263 -4.194 1.00 0.00 C ATOM 114 O ALA A 11 -10.938 -13.153 -4.890 1.00 0.00 O ATOM 115 CB ALA A 11 -13.485 -12.947 -2.946 1.00 0.00 C ATOM 0 H ALA A 11 -12.565 -10.726 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.472 -13.427 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.592 -13.790 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.875 -13.222 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.043 -12.094 -3.332 1.00 0.00 H new ATOM 121 N LEU A 12 -11.483 -10.993 -4.579 1.00 0.00 N ATOM 122 CA LEU A 12 -10.958 -10.561 -5.870 1.00 0.00 C ATOM 123 C LEU A 12 -9.445 -10.747 -5.932 1.00 0.00 C ATOM 124 O LEU A 12 -8.814 -11.115 -4.941 1.00 0.00 O ATOM 125 CB LEU A 12 -11.314 -9.095 -6.123 1.00 0.00 C ATOM 126 CG LEU A 12 -12.637 -8.840 -6.846 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.578 -9.373 -8.269 1.00 0.00 C ATOM 128 CD2 LEU A 12 -13.792 -9.474 -6.085 1.00 0.00 C ATOM 0 H LEU A 12 -11.885 -10.244 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.414 -11.178 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.342 -8.578 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.512 -8.643 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.804 -7.764 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.528 -9.183 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.776 -8.873 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.388 -10.446 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.725 -9.282 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -13.632 -10.550 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.848 -9.045 -5.085 1.00 0.00 H new ATOM 140 N ARG A 13 -8.870 -10.488 -7.102 1.00 0.00 N ATOM 141 CA ARG A 13 -7.431 -10.626 -7.293 1.00 0.00 C ATOM 142 C ARG A 13 -6.712 -9.321 -6.966 1.00 0.00 C ATOM 143 O ARG A 13 -5.542 -9.325 -6.584 1.00 0.00 O ATOM 144 CB ARG A 13 -7.124 -11.044 -8.732 1.00 0.00 C ATOM 145 CG ARG A 13 -7.548 -10.016 -9.768 1.00 0.00 C ATOM 146 CD ARG A 13 -6.932 -10.308 -11.127 1.00 0.00 C ATOM 147 NE ARG A 13 -7.762 -11.208 -11.923 1.00 0.00 N ATOM 148 CZ ARG A 13 -8.854 -10.819 -12.572 1.00 0.00 C ATOM 149 NH1 ARG A 13 -9.244 -9.553 -12.521 1.00 0.00 N ATOM 150 NH2 ARG A 13 -9.557 -11.697 -13.276 1.00 0.00 N ATOM 0 H ARG A 13 -9.378 -10.182 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.072 -11.399 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.053 -11.224 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.627 -11.988 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.635 -10.011 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.249 -9.021 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.789 -9.373 -11.669 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.946 -10.751 -10.990 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.488 -12.189 -11.984 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.705 -8.875 -11.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.083 -9.257 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.259 -12.672 -13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.395 -11.397 -13.774 1.00 0.00 H new ATOM 164 N GLU A 14 -7.420 -8.206 -7.120 1.00 0.00 N ATOM 165 CA GLU A 14 -6.847 -6.894 -6.843 1.00 0.00 C ATOM 166 C GLU A 14 -6.488 -6.758 -5.366 1.00 0.00 C ATOM 167 O GLU A 14 -7.049 -7.447 -4.513 1.00 0.00 O ATOM 168 CB GLU A 14 -7.828 -5.790 -7.244 1.00 0.00 C ATOM 169 CG GLU A 14 -7.185 -4.419 -7.363 1.00 0.00 C ATOM 170 CD GLU A 14 -6.306 -4.291 -8.592 1.00 0.00 C ATOM 171 OE1 GLU A 14 -5.203 -4.875 -8.597 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.723 -3.607 -9.550 1.00 0.00 O ATOM 0 H GLU A 14 -8.390 -8.185 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.935 -6.792 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.286 -6.051 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.630 -5.743 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.965 -3.658 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.588 -4.223 -6.472 1.00 0.00 H new ATOM 179 N VAL A 15 -5.548 -5.866 -5.071 1.00 0.00 N ATOM 180 CA VAL A 15 -5.114 -5.638 -3.698 1.00 0.00 C ATOM 181 C VAL A 15 -5.786 -4.404 -3.106 1.00 0.00 C ATOM 182 O VAL A 15 -5.142 -3.592 -2.440 1.00 0.00 O ATOM 183 CB VAL A 15 -3.586 -5.467 -3.614 1.00 0.00 C ATOM 184 CG1 VAL A 15 -2.880 -6.730 -4.085 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.139 -4.262 -4.428 1.00 0.00 C ATOM 0 H VAL A 15 -5.072 -5.289 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.406 -6.517 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.314 -5.294 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.801 -6.590 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.177 -7.569 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.156 -6.937 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.056 -4.156 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.422 -4.402 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.617 -3.363 -4.040 1.00 0.00 H new ATOM 195 N LEU A 16 -7.084 -4.268 -3.353 1.00 0.00 N ATOM 196 CA LEU A 16 -7.845 -3.133 -2.844 1.00 0.00 C ATOM 197 C LEU A 16 -7.620 -2.954 -1.346 1.00 0.00 C ATOM 198 O LEU A 16 -7.735 -1.848 -0.819 1.00 0.00 O ATOM 199 CB LEU A 16 -9.336 -3.324 -3.128 1.00 0.00 C ATOM 200 CG LEU A 16 -9.708 -3.629 -4.579 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.092 -4.256 -4.654 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.647 -2.364 -5.423 1.00 0.00 C ATOM 0 H LEU A 16 -7.632 -4.930 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.496 -2.236 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.704 -4.136 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.863 -2.421 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.986 -4.342 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.340 -4.466 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.102 -5.185 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.827 -3.567 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.915 -2.600 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.346 -1.628 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.636 -1.957 -5.395 1.00 0.00 H new ATOM 214 N GLU A 17 -7.296 -4.050 -0.666 1.00 0.00 N ATOM 215 CA GLU A 17 -7.054 -4.013 0.771 1.00 0.00 C ATOM 216 C GLU A 17 -5.572 -4.211 1.078 1.00 0.00 C ATOM 217 O GLU A 17 -4.861 -4.899 0.345 1.00 0.00 O ATOM 218 CB GLU A 17 -7.881 -5.088 1.478 1.00 0.00 C ATOM 219 CG GLU A 17 -9.243 -4.600 1.945 1.00 0.00 C ATOM 220 CD GLU A 17 -10.288 -5.699 1.943 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.284 -6.521 1.003 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.111 -5.736 2.882 1.00 0.00 O ATOM 0 H GLU A 17 -7.195 -4.973 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.356 -3.033 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.019 -5.932 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.322 -5.457 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.153 -4.191 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.575 -3.787 1.299 1.00 0.00 H new ATOM 229 N CYS A 18 -5.113 -3.604 2.167 1.00 0.00 N ATOM 230 CA CYS A 18 -3.717 -3.712 2.573 1.00 0.00 C ATOM 231 C CYS A 18 -3.353 -5.160 2.888 1.00 0.00 C ATOM 232 O CYS A 18 -4.090 -5.878 3.564 1.00 0.00 O ATOM 233 CB CYS A 18 -3.449 -2.829 3.793 1.00 0.00 C ATOM 234 SG CYS A 18 -1.721 -2.861 4.368 1.00 0.00 S ATOM 0 H CYS A 18 -5.688 -3.032 2.785 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.096 -3.372 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.721 -1.802 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.098 -3.148 4.609 1.00 0.00 H new ATOM 239 N PRO A 19 -2.188 -5.599 2.389 1.00 0.00 N ATOM 240 CA PRO A 19 -1.698 -6.963 2.605 1.00 0.00 C ATOM 241 C PRO A 19 -1.282 -7.208 4.052 1.00 0.00 C ATOM 242 O PRO A 19 -0.860 -8.308 4.408 1.00 0.00 O ATOM 243 CB PRO A 19 -0.485 -7.056 1.677 1.00 0.00 C ATOM 244 CG PRO A 19 -0.022 -5.649 1.517 1.00 0.00 C ATOM 245 CD PRO A 19 -1.259 -4.797 1.575 1.00 0.00 C ATOM 0 HA PRO A 19 -2.466 -7.709 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.296 -7.683 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.754 -7.496 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.677 -5.376 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.500 -5.515 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.058 -3.828 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.661 -4.603 0.580 1.00 0.00 H new ATOM 253 N ILE A 20 -1.405 -6.176 4.880 1.00 0.00 N ATOM 254 CA ILE A 20 -1.043 -6.281 6.288 1.00 0.00 C ATOM 255 C ILE A 20 -2.275 -6.183 7.181 1.00 0.00 C ATOM 256 O ILE A 20 -2.737 -7.183 7.732 1.00 0.00 O ATOM 257 CB ILE A 20 -0.041 -5.184 6.694 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.210 -5.255 5.815 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.329 -5.323 8.163 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.255 -4.220 6.167 1.00 0.00 C ATOM 0 H ILE A 20 -1.752 -5.259 4.600 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.576 -7.257 6.422 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.510 -4.211 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.650 -6.248 5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.919 -5.126 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.038 -4.541 8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.568 -5.229 8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.783 -6.299 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.113 -4.329 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.832 -3.222 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.574 -4.362 7.200 1.00 0.00 H new ATOM 272 N CYS A 21 -2.805 -4.972 7.319 1.00 0.00 N ATOM 273 CA CYS A 21 -3.985 -4.743 8.144 1.00 0.00 C ATOM 274 C CYS A 21 -5.243 -5.255 7.448 1.00 0.00 C ATOM 275 O CYS A 21 -6.206 -5.656 8.101 1.00 0.00 O ATOM 276 CB CYS A 21 -4.133 -3.253 8.456 1.00 0.00 C ATOM 277 SG CYS A 21 -4.106 -2.178 6.985 1.00 0.00 S ATOM 0 H CYS A 21 -2.436 -4.134 6.870 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.858 -5.292 9.077 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.070 -3.096 8.990 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.329 -2.952 9.128 1.00 0.00 H new ATOM 282 N MET A 22 -5.225 -5.239 6.119 1.00 0.00 N ATOM 283 CA MET A 22 -6.364 -5.703 5.335 1.00 0.00 C ATOM 284 C MET A 22 -7.560 -4.773 5.510 1.00 0.00 C ATOM 285 O MET A 22 -8.681 -5.227 5.738 1.00 0.00 O ATOM 286 CB MET A 22 -6.746 -7.127 5.744 1.00 0.00 C ATOM 287 CG MET A 22 -5.589 -8.111 5.670 1.00 0.00 C ATOM 288 SD MET A 22 -5.234 -8.640 3.983 1.00 0.00 S ATOM 289 CE MET A 22 -3.802 -9.683 4.250 1.00 0.00 C ATOM 0 H MET A 22 -4.435 -4.910 5.563 1.00 0.00 H new ATOM 0 HA MET A 22 -6.075 -5.700 4.284 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.135 -7.112 6.762 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.552 -7.478 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.698 -7.651 6.097 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.820 -8.985 6.279 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.236 -9.768 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.170 -9.243 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.127 -10.673 4.569 1.00 0.00 H new ATOM 299 N GLU A 23 -7.313 -3.472 5.402 1.00 0.00 N ATOM 300 CA GLU A 23 -8.371 -2.479 5.550 1.00 0.00 C ATOM 301 C GLU A 23 -8.519 -1.647 4.280 1.00 0.00 C ATOM 302 O GLU A 23 -7.568 -1.007 3.830 1.00 0.00 O ATOM 303 CB GLU A 23 -8.079 -1.564 6.741 1.00 0.00 C ATOM 304 CG GLU A 23 -8.475 -2.163 8.081 1.00 0.00 C ATOM 305 CD GLU A 23 -7.769 -1.499 9.247 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.973 -0.284 9.451 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.013 -2.196 9.957 1.00 0.00 O ATOM 0 H GLU A 23 -6.390 -3.081 5.213 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.307 -3.008 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.014 -1.331 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.609 -0.622 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.553 -2.069 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.245 -3.229 8.081 1.00 0.00 H new ATOM 314 N SER A 24 -9.717 -1.663 3.705 1.00 0.00 N ATOM 315 CA SER A 24 -9.989 -0.914 2.484 1.00 0.00 C ATOM 316 C SER A 24 -9.205 0.395 2.463 1.00 0.00 C ATOM 317 O SER A 24 -9.177 1.131 3.449 1.00 0.00 O ATOM 318 CB SER A 24 -11.486 -0.626 2.359 1.00 0.00 C ATOM 319 OG SER A 24 -12.185 -1.759 1.874 1.00 0.00 O ATOM 0 H SER A 24 -10.515 -2.187 4.065 1.00 0.00 H new ATOM 0 HA SER A 24 -9.671 -1.522 1.637 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.886 -0.337 3.331 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.642 0.217 1.686 1.00 0.00 H new ATOM 0 HG SER A 24 -13.140 -1.549 1.805 1.00 0.00 H new ATOM 325 N PHE A 25 -8.567 0.677 1.332 1.00 0.00 N ATOM 326 CA PHE A 25 -7.781 1.896 1.181 1.00 0.00 C ATOM 327 C PHE A 25 -8.688 3.117 1.059 1.00 0.00 C ATOM 328 O PHE A 25 -9.325 3.331 0.027 1.00 0.00 O ATOM 329 CB PHE A 25 -6.874 1.795 -0.048 1.00 0.00 C ATOM 330 CG PHE A 25 -5.703 0.874 0.146 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.798 1.090 1.172 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.508 -0.207 -0.699 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.719 0.245 1.351 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.431 -1.056 -0.524 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.536 -0.830 0.503 1.00 0.00 C ATOM 0 H PHE A 25 -8.579 0.078 0.507 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.163 2.012 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.463 1.447 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.506 2.789 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.937 1.928 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.205 -0.388 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.019 0.425 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.290 -1.895 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.695 -1.492 0.643 1.00 0.00 H new ATOM 345 N THR A 26 -8.742 3.915 2.120 1.00 0.00 N ATOM 346 CA THR A 26 -9.571 5.113 2.134 1.00 0.00 C ATOM 347 C THR A 26 -8.715 6.374 2.176 1.00 0.00 C ATOM 348 O THR A 26 -7.684 6.412 2.846 1.00 0.00 O ATOM 349 CB THR A 26 -10.532 5.118 3.339 1.00 0.00 C ATOM 350 OG1 THR A 26 -11.160 6.399 3.459 1.00 0.00 O ATOM 351 CG2 THR A 26 -9.788 4.790 4.625 1.00 0.00 C ATOM 0 H THR A 26 -8.221 3.753 2.982 1.00 0.00 H new ATOM 0 HA THR A 26 -10.155 5.104 1.213 1.00 0.00 H new ATOM 0 HB THR A 26 -11.293 4.355 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.770 6.394 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.486 4.799 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.335 3.802 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.009 5.533 4.794 1.00 0.00 H new ATOM 359 N GLU A 27 -9.151 7.404 1.456 1.00 0.00 N ATOM 360 CA GLU A 27 -8.423 8.666 1.412 1.00 0.00 C ATOM 361 C GLU A 27 -8.806 9.557 2.590 1.00 0.00 C ATOM 362 O GLU A 27 -8.993 10.763 2.434 1.00 0.00 O ATOM 363 CB GLU A 27 -8.701 9.395 0.096 1.00 0.00 C ATOM 364 CG GLU A 27 -7.761 8.997 -1.030 1.00 0.00 C ATOM 365 CD GLU A 27 -8.355 9.251 -2.402 1.00 0.00 C ATOM 366 OE1 GLU A 27 -9.517 8.854 -2.629 1.00 0.00 O ATOM 367 OE2 GLU A 27 -7.657 9.848 -3.249 1.00 0.00 O ATOM 0 H GLU A 27 -10.004 7.389 0.896 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.358 8.444 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.728 9.195 -0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.622 10.469 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.828 9.553 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.513 7.940 -0.935 1.00 0.00 H new ATOM 374 N GLU A 28 -8.923 8.952 3.769 1.00 0.00 N ATOM 375 CA GLU A 28 -9.286 9.690 4.973 1.00 0.00 C ATOM 376 C GLU A 28 -8.348 9.345 6.126 1.00 0.00 C ATOM 377 O GLU A 28 -7.906 10.225 6.864 1.00 0.00 O ATOM 378 CB GLU A 28 -10.732 9.386 5.368 1.00 0.00 C ATOM 379 CG GLU A 28 -11.389 10.492 6.176 1.00 0.00 C ATOM 380 CD GLU A 28 -11.039 10.423 7.650 1.00 0.00 C ATOM 381 OE1 GLU A 28 -11.770 9.746 8.403 1.00 0.00 O ATOM 382 OE2 GLU A 28 -10.034 11.047 8.051 1.00 0.00 O ATOM 0 H GLU A 28 -8.772 7.954 3.915 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.193 10.754 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.317 9.211 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.755 8.463 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.082 11.459 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.471 10.428 6.060 1.00 0.00 H new ATOM 389 N GLN A 29 -8.051 8.058 6.274 1.00 0.00 N ATOM 390 CA GLN A 29 -7.168 7.596 7.338 1.00 0.00 C ATOM 391 C GLN A 29 -6.091 6.667 6.786 1.00 0.00 C ATOM 392 O GLN A 29 -4.898 6.891 6.994 1.00 0.00 O ATOM 393 CB GLN A 29 -7.973 6.876 8.421 1.00 0.00 C ATOM 394 CG GLN A 29 -7.197 6.656 9.710 1.00 0.00 C ATOM 395 CD GLN A 29 -8.003 5.912 10.757 1.00 0.00 C ATOM 396 OE1 GLN A 29 -8.864 6.490 11.421 1.00 0.00 O ATOM 397 NE2 GLN A 29 -7.727 4.622 10.909 1.00 0.00 N ATOM 0 H GLN A 29 -8.409 7.317 5.671 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.681 8.467 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.870 7.455 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.303 5.911 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.288 6.096 9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.888 7.621 10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.005 4.184 10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.237 4.069 11.598 1.00 0.00 H new ATOM 406 N LEU A 30 -6.519 5.625 6.083 1.00 0.00 N ATOM 407 CA LEU A 30 -5.592 4.661 5.502 1.00 0.00 C ATOM 408 C LEU A 30 -5.369 4.946 4.020 1.00 0.00 C ATOM 409 O LEU A 30 -6.163 4.538 3.173 1.00 0.00 O ATOM 410 CB LEU A 30 -6.122 3.238 5.685 1.00 0.00 C ATOM 411 CG LEU A 30 -6.544 2.856 7.104 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.445 1.632 7.082 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.321 2.605 7.974 1.00 0.00 C ATOM 0 H LEU A 30 -7.503 5.426 5.901 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.637 4.755 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.978 3.103 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.352 2.540 5.356 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.106 3.687 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.735 1.375 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.337 1.848 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.910 0.794 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.640 2.334 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.733 1.792 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.713 3.509 8.017 1.00 0.00 H new ATOM 425 N ARG A 31 -4.281 5.646 3.714 1.00 0.00 N ATOM 426 CA ARG A 31 -3.953 5.985 2.335 1.00 0.00 C ATOM 427 C ARG A 31 -3.039 4.929 1.719 1.00 0.00 C ATOM 428 O ARG A 31 -2.021 4.542 2.294 1.00 0.00 O ATOM 429 CB ARG A 31 -3.281 7.357 2.270 1.00 0.00 C ATOM 430 CG ARG A 31 -4.256 8.503 2.055 1.00 0.00 C ATOM 431 CD ARG A 31 -4.410 8.835 0.579 1.00 0.00 C ATOM 432 NE ARG A 31 -3.154 9.288 -0.013 1.00 0.00 N ATOM 433 CZ ARG A 31 -3.082 9.959 -1.158 1.00 0.00 C ATOM 434 NH1 ARG A 31 -4.187 10.252 -1.829 1.00 0.00 N ATOM 435 NH2 ARG A 31 -1.902 10.338 -1.633 1.00 0.00 N ATOM 0 H ARG A 31 -3.612 5.989 4.403 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.881 6.016 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.732 7.527 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.550 7.356 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.227 8.239 2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.907 9.385 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.766 7.954 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.168 9.609 0.458 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.285 9.078 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.095 9.962 -1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.129 10.767 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.050 10.114 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.847 10.853 -2.512 1.00 0.00 H new ATOM 449 N PRO A 32 -3.408 4.452 0.521 1.00 0.00 N ATOM 450 CA PRO A 32 -2.636 3.435 -0.199 1.00 0.00 C ATOM 451 C PRO A 32 -1.306 3.975 -0.715 1.00 0.00 C ATOM 452 O PRO A 32 -1.266 4.980 -1.426 1.00 0.00 O ATOM 453 CB PRO A 32 -3.549 3.057 -1.367 1.00 0.00 C ATOM 454 CG PRO A 32 -4.407 4.256 -1.581 1.00 0.00 C ATOM 455 CD PRO A 32 -4.609 4.868 -0.223 1.00 0.00 C ATOM 0 HA PRO A 32 -2.372 2.594 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.971 2.819 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.149 2.178 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.929 4.962 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.361 3.978 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.691 5.953 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.521 4.504 0.250 1.00 0.00 H new ATOM 463 N LYS A 33 -0.219 3.303 -0.353 1.00 0.00 N ATOM 464 CA LYS A 33 1.113 3.713 -0.781 1.00 0.00 C ATOM 465 C LYS A 33 1.835 2.569 -1.485 1.00 0.00 C ATOM 466 O LYS A 33 1.806 1.427 -1.025 1.00 0.00 O ATOM 467 CB LYS A 33 1.934 4.186 0.421 1.00 0.00 C ATOM 468 CG LYS A 33 1.200 5.178 1.307 1.00 0.00 C ATOM 469 CD LYS A 33 1.018 6.517 0.611 1.00 0.00 C ATOM 470 CE LYS A 33 2.150 7.476 0.943 1.00 0.00 C ATOM 471 NZ LYS A 33 1.986 8.787 0.256 1.00 0.00 N ATOM 0 H LYS A 33 -0.234 2.471 0.237 1.00 0.00 H new ATOM 0 HA LYS A 33 1.003 4.537 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.220 3.320 1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.856 4.644 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.225 4.773 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.756 5.321 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.973 6.365 -0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.067 6.958 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.188 7.633 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.101 7.030 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.909 9.113 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.329 8.680 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.605 9.485 0.926 1.00 0.00 H new ATOM 485 N LEU A 34 2.483 2.883 -2.601 1.00 0.00 N ATOM 486 CA LEU A 34 3.215 1.881 -3.369 1.00 0.00 C ATOM 487 C LEU A 34 4.712 1.972 -3.095 1.00 0.00 C ATOM 488 O LEU A 34 5.284 3.063 -3.063 1.00 0.00 O ATOM 489 CB LEU A 34 2.946 2.058 -4.864 1.00 0.00 C ATOM 490 CG LEU A 34 3.054 0.796 -5.720 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.422 -0.389 -5.006 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.399 1.014 -7.076 1.00 0.00 C ATOM 0 H LEU A 34 2.517 3.823 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 34 2.867 0.896 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.945 2.471 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.645 2.798 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 34 4.110 0.577 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.508 -1.278 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.935 -0.559 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.369 -0.180 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.485 0.105 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.346 1.258 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.896 1.835 -7.592 1.00 0.00 H new ATOM 504 N LEU A 35 5.344 0.819 -2.899 1.00 0.00 N ATOM 505 CA LEU A 35 6.777 0.768 -2.630 1.00 0.00 C ATOM 506 C LEU A 35 7.569 0.617 -3.925 1.00 0.00 C ATOM 507 O LEU A 35 7.020 0.235 -4.960 1.00 0.00 O ATOM 508 CB LEU A 35 7.097 -0.390 -1.684 1.00 0.00 C ATOM 509 CG LEU A 35 6.455 -0.322 -0.298 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.931 -1.478 0.568 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.766 1.009 0.369 1.00 0.00 C ATOM 0 H LEU A 35 4.887 -0.092 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 35 7.067 1.706 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.786 -1.319 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.179 -0.442 -1.559 1.00 0.00 H new ATOM 0 HG LEU A 35 5.374 -0.403 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.464 -1.413 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.657 -2.422 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.014 -1.429 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.301 1.040 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.845 1.120 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.375 1.822 -0.242 1.00 0.00 H new ATOM 523 N HIS A 36 8.862 0.915 -3.860 1.00 0.00 N ATOM 524 CA HIS A 36 9.731 0.810 -5.027 1.00 0.00 C ATOM 525 C HIS A 36 9.773 -0.625 -5.545 1.00 0.00 C ATOM 526 O HIS A 36 10.310 -0.893 -6.620 1.00 0.00 O ATOM 527 CB HIS A 36 11.144 1.281 -4.682 1.00 0.00 C ATOM 528 CG HIS A 36 11.230 2.747 -4.385 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.427 3.417 -4.245 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.259 3.672 -4.203 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.189 4.691 -3.988 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.881 4.871 -3.957 1.00 0.00 N ATOM 0 H HIS A 36 9.332 1.231 -3.012 1.00 0.00 H new ATOM 0 HA HIS A 36 9.325 1.450 -5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.504 0.722 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.809 1.047 -5.513 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.352 2.995 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.194 3.499 -4.244 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.936 5.455 -3.830 1.00 0.00 H new ATOM 540 N CYS A 37 9.205 -1.545 -4.772 1.00 0.00 N ATOM 541 CA CYS A 37 9.178 -2.952 -5.151 1.00 0.00 C ATOM 542 C CYS A 37 7.928 -3.273 -5.965 1.00 0.00 C ATOM 543 O CYS A 37 7.995 -3.968 -6.978 1.00 0.00 O ATOM 544 CB CYS A 37 9.229 -3.838 -3.905 1.00 0.00 C ATOM 545 SG CYS A 37 7.829 -3.598 -2.764 1.00 0.00 S ATOM 0 H CYS A 37 8.757 -1.341 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 37 10.054 -3.153 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.256 -4.882 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.158 -3.641 -3.370 1.00 0.00 H new ATOM 550 N GLY A 38 6.787 -2.759 -5.514 1.00 0.00 N ATOM 551 CA GLY A 38 5.538 -3.001 -6.212 1.00 0.00 C ATOM 552 C GLY A 38 4.385 -3.266 -5.264 1.00 0.00 C ATOM 553 O GLY A 38 3.235 -2.948 -5.569 1.00 0.00 O ATOM 0 H GLY A 38 6.706 -2.180 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.301 -2.139 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.658 -3.854 -6.880 1.00 0.00 H new ATOM 557 N HIS A 39 4.692 -3.850 -4.110 1.00 0.00 N ATOM 558 CA HIS A 39 3.673 -4.159 -3.114 1.00 0.00 C ATOM 559 C HIS A 39 2.981 -2.887 -2.633 1.00 0.00 C ATOM 560 O HIS A 39 3.614 -1.841 -2.485 1.00 0.00 O ATOM 561 CB HIS A 39 4.295 -4.895 -1.927 1.00 0.00 C ATOM 562 CG HIS A 39 4.673 -6.312 -2.233 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.898 -6.852 -1.902 1.00 0.00 N ATOM 564 CD2 HIS A 39 3.979 -7.302 -2.842 1.00 0.00 C ATOM 565 CE1 HIS A 39 5.941 -8.112 -2.295 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.789 -8.410 -2.868 1.00 0.00 N ATOM 0 H HIS A 39 5.639 -4.119 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 39 2.928 -4.803 -3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.182 -4.354 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.591 -4.887 -1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.975 -7.233 -3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.777 -8.785 -2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.541 -9.316 -3.265 1.00 0.00 H new ATOM 574 N THR A 40 1.677 -2.983 -2.390 1.00 0.00 N ATOM 575 CA THR A 40 0.900 -1.840 -1.928 1.00 0.00 C ATOM 576 C THR A 40 0.539 -1.981 -0.453 1.00 0.00 C ATOM 577 O THR A 40 0.028 -3.016 -0.026 1.00 0.00 O ATOM 578 CB THR A 40 -0.394 -1.672 -2.747 1.00 0.00 C ATOM 579 OG1 THR A 40 -0.077 -1.499 -4.133 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.197 -0.479 -2.253 1.00 0.00 C ATOM 0 H THR A 40 1.137 -3.841 -2.506 1.00 0.00 H new ATOM 0 HA THR A 40 1.525 -0.957 -2.064 1.00 0.00 H new ATOM 0 HB THR A 40 -0.996 -2.572 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.720 -1.997 -4.680 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.106 -0.381 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.462 -0.627 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.600 0.428 -2.352 1.00 0.00 H new ATOM 588 N ILE A 41 0.808 -0.934 0.319 1.00 0.00 N ATOM 589 CA ILE A 41 0.510 -0.941 1.746 1.00 0.00 C ATOM 590 C ILE A 41 -0.058 0.400 2.196 1.00 0.00 C ATOM 591 O ILE A 41 0.262 1.445 1.628 1.00 0.00 O ATOM 592 CB ILE A 41 1.763 -1.261 2.582 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.405 -2.564 2.100 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.406 -1.355 4.058 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.494 -3.076 3.016 1.00 0.00 C ATOM 0 H ILE A 41 1.232 -0.070 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.234 -1.721 1.908 1.00 0.00 H new ATOM 0 HB ILE A 41 2.483 -0.453 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.632 -3.327 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.822 -2.408 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.302 -1.582 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.989 -0.405 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.670 -2.146 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.904 -4.002 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.286 -2.331 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.078 -3.265 4.006 1.00 0.00 H new ATOM 607 N CYS A 42 -0.903 0.365 3.221 1.00 0.00 N ATOM 608 CA CYS A 42 -1.516 1.578 3.750 1.00 0.00 C ATOM 609 C CYS A 42 -0.501 2.401 4.538 1.00 0.00 C ATOM 610 O CYS A 42 0.365 1.851 5.219 1.00 0.00 O ATOM 611 CB CYS A 42 -2.707 1.225 4.643 1.00 0.00 C ATOM 612 SG CYS A 42 -2.243 0.501 6.249 1.00 0.00 S ATOM 0 H CYS A 42 -1.179 -0.491 3.702 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.866 2.175 2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.295 2.126 4.819 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.350 0.523 4.112 1.00 0.00 H new ATOM 617 N ARG A 43 -0.615 3.722 4.441 1.00 0.00 N ATOM 618 CA ARG A 43 0.293 4.621 5.143 1.00 0.00 C ATOM 619 C ARG A 43 0.461 4.195 6.599 1.00 0.00 C ATOM 620 O ARG A 43 1.553 4.284 7.159 1.00 0.00 O ATOM 621 CB ARG A 43 -0.227 6.058 5.078 1.00 0.00 C ATOM 622 CG ARG A 43 -1.281 6.373 6.127 1.00 0.00 C ATOM 623 CD ARG A 43 -0.651 6.870 7.418 1.00 0.00 C ATOM 624 NE ARG A 43 -1.525 7.795 8.134 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.405 8.068 9.428 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.452 7.490 10.145 1.00 0.00 N ATOM 627 NH2 ARG A 43 -2.240 8.922 10.007 1.00 0.00 N ATOM 0 H ARG A 43 -1.327 4.193 3.883 1.00 0.00 H new ATOM 0 HA ARG A 43 1.265 4.571 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.611 6.744 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.646 6.239 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.966 7.128 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.872 5.480 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.420 6.019 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.294 7.365 7.193 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.269 8.257 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.192 6.834 9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.362 7.702 11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.974 9.369 9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.147 9.131 11.001 1.00 0.00 H new ATOM 641 N GLN A 44 -0.629 3.733 7.205 1.00 0.00 N ATOM 642 CA GLN A 44 -0.601 3.295 8.595 1.00 0.00 C ATOM 643 C GLN A 44 0.516 2.284 8.825 1.00 0.00 C ATOM 644 O GLN A 44 1.353 2.457 9.713 1.00 0.00 O ATOM 645 CB GLN A 44 -1.948 2.683 8.986 1.00 0.00 C ATOM 646 CG GLN A 44 -1.850 1.666 10.111 1.00 0.00 C ATOM 647 CD GLN A 44 -3.203 1.313 10.697 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.070 0.732 9.876 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.466 1.558 11.875 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.541 3.653 6.755 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.411 4.167 9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.627 3.481 9.287 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.388 2.204 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.373 0.760 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.209 2.062 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.769 2.006 12.471 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.380 1.313 12.255 1.00 0.00 H new ATOM 658 N CYS A 45 0.525 1.226 8.021 1.00 0.00 N ATOM 659 CA CYS A 45 1.539 0.185 8.137 1.00 0.00 C ATOM 660 C CYS A 45 2.900 0.697 7.674 1.00 0.00 C ATOM 661 O CYS A 45 3.928 0.401 8.285 1.00 0.00 O ATOM 662 CB CYS A 45 1.137 -1.041 7.315 1.00 0.00 C ATOM 663 SG CYS A 45 -0.258 -1.981 8.015 1.00 0.00 S ATOM 0 H CYS A 45 -0.159 1.067 7.281 1.00 0.00 H new ATOM 0 HA CYS A 45 1.615 -0.098 9.187 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.875 -0.719 6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.998 -1.703 7.225 1.00 0.00 H new ATOM 668 N LEU A 46 2.899 1.467 6.592 1.00 0.00 N ATOM 669 CA LEU A 46 4.133 2.022 6.047 1.00 0.00 C ATOM 670 C LEU A 46 4.795 2.964 7.047 1.00 0.00 C ATOM 671 O LEU A 46 6.018 3.099 7.070 1.00 0.00 O ATOM 672 CB LEU A 46 3.848 2.766 4.741 1.00 0.00 C ATOM 673 CG LEU A 46 5.060 3.380 4.039 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.665 2.391 3.056 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.669 4.669 3.330 1.00 0.00 C ATOM 0 H LEU A 46 2.058 1.721 6.075 1.00 0.00 H new ATOM 0 HA LEU A 46 4.816 1.196 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.365 2.075 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.132 3.561 4.948 1.00 0.00 H new ATOM 0 HG LEU A 46 5.811 3.617 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.526 2.845 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.982 1.495 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.921 2.122 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.544 5.092 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.900 4.457 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.283 5.382 4.058 1.00 0.00 H new ATOM 687 N GLU A 47 3.979 3.610 7.874 1.00 0.00 N ATOM 688 CA GLU A 47 4.488 4.538 8.877 1.00 0.00 C ATOM 689 C GLU A 47 5.244 3.793 9.974 1.00 0.00 C ATOM 690 O GLU A 47 6.374 4.144 10.314 1.00 0.00 O ATOM 691 CB GLU A 47 3.338 5.340 9.491 1.00 0.00 C ATOM 692 CG GLU A 47 2.901 6.523 8.643 1.00 0.00 C ATOM 693 CD GLU A 47 3.866 7.689 8.726 1.00 0.00 C ATOM 694 OE1 GLU A 47 4.997 7.560 8.211 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.492 8.730 9.306 1.00 0.00 O ATOM 0 H GLU A 47 2.964 3.508 7.869 1.00 0.00 H new ATOM 0 HA GLU A 47 5.178 5.223 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.485 4.678 9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.642 5.701 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.809 6.206 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.913 6.851 8.965 1.00 0.00 H new ATOM 702 N LYS A 48 4.612 2.761 10.524 1.00 0.00 N ATOM 703 CA LYS A 48 5.223 1.965 11.581 1.00 0.00 C ATOM 704 C LYS A 48 6.601 1.465 11.158 1.00 0.00 C ATOM 705 O LYS A 48 7.494 1.298 11.990 1.00 0.00 O ATOM 706 CB LYS A 48 4.325 0.778 11.937 1.00 0.00 C ATOM 707 CG LYS A 48 3.393 1.049 13.106 1.00 0.00 C ATOM 708 CD LYS A 48 2.101 1.704 12.648 1.00 0.00 C ATOM 709 CE LYS A 48 0.968 0.695 12.552 1.00 0.00 C ATOM 710 NZ LYS A 48 1.357 -0.502 11.755 1.00 0.00 N ATOM 0 H LYS A 48 3.676 2.457 10.255 1.00 0.00 H new ATOM 0 HA LYS A 48 5.340 2.600 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.730 0.508 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.951 -0.082 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.166 0.113 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.893 1.694 13.829 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.826 2.496 13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.255 2.174 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.673 0.384 13.554 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.098 1.168 12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.516 -0.895 11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.058 -0.228 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.769 -1.220 12.385 1.00 0.00 H new ATOM 724 N LEU A 49 6.767 1.228 9.862 1.00 0.00 N ATOM 725 CA LEU A 49 8.037 0.749 9.328 1.00 0.00 C ATOM 726 C LEU A 49 9.028 1.897 9.167 1.00 0.00 C ATOM 727 O LEU A 49 10.189 1.790 9.563 1.00 0.00 O ATOM 728 CB LEU A 49 7.818 0.055 7.983 1.00 0.00 C ATOM 729 CG LEU A 49 6.951 -1.203 8.009 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.608 -1.645 6.595 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.656 -2.321 8.763 1.00 0.00 C ATOM 0 H LEU A 49 6.038 1.360 9.161 1.00 0.00 H new ATOM 0 HA LEU A 49 8.453 0.032 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.364 0.771 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.792 -0.208 7.570 1.00 0.00 H new ATOM 0 HG LEU A 49 6.022 -0.970 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.990 -2.542 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.062 -0.850 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.526 -1.860 6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.024 -3.209 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.601 -2.553 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.849 -2.003 9.788 1.00 0.00 H new ATOM 743 N LEU A 50 8.562 2.996 8.584 1.00 0.00 N ATOM 744 CA LEU A 50 9.407 4.166 8.372 1.00 0.00 C ATOM 745 C LEU A 50 9.918 4.717 9.699 1.00 0.00 C ATOM 746 O LEU A 50 11.080 5.105 9.815 1.00 0.00 O ATOM 747 CB LEU A 50 8.630 5.251 7.622 1.00 0.00 C ATOM 748 CG LEU A 50 9.458 6.166 6.719 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.588 6.764 5.625 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.121 7.264 7.537 1.00 0.00 C ATOM 0 H LEU A 50 7.604 3.101 8.250 1.00 0.00 H new ATOM 0 HA LEU A 50 10.264 3.860 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.866 4.768 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.110 5.869 8.354 1.00 0.00 H new ATOM 0 HG LEU A 50 10.240 5.570 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.194 7.412 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.161 5.963 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.784 7.346 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.706 7.906 6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.356 7.858 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.777 6.816 8.283 1.00 0.00 H new ATOM 762 N ALA A 51 9.043 4.744 10.699 1.00 0.00 N ATOM 763 CA ALA A 51 9.408 5.242 12.019 1.00 0.00 C ATOM 764 C ALA A 51 10.613 4.492 12.576 1.00 0.00 C ATOM 765 O ALA A 51 11.665 5.083 12.821 1.00 0.00 O ATOM 766 CB ALA A 51 8.226 5.127 12.972 1.00 0.00 C ATOM 0 H ALA A 51 8.077 4.427 10.620 1.00 0.00 H new ATOM 0 HA ALA A 51 9.681 6.293 11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.513 5.503 13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.391 5.714 12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.927 4.082 13.056 1.00 0.00 H new ATOM 772 N SER A 52 10.453 3.188 12.774 1.00 0.00 N ATOM 773 CA SER A 52 11.527 2.358 13.307 1.00 0.00 C ATOM 774 C SER A 52 12.752 2.406 12.398 1.00 0.00 C ATOM 775 O SER A 52 13.888 2.406 12.870 1.00 0.00 O ATOM 776 CB SER A 52 11.052 0.912 13.465 1.00 0.00 C ATOM 777 OG SER A 52 11.784 0.243 14.477 1.00 0.00 O ATOM 0 H SER A 52 9.590 2.683 12.573 1.00 0.00 H new ATOM 0 HA SER A 52 11.805 2.751 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.990 0.899 13.711 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.166 0.383 12.519 1.00 0.00 H new ATOM 0 HG SER A 52 11.461 -0.678 14.560 1.00 0.00 H new ATOM 783 N SER A 53 12.510 2.446 11.092 1.00 0.00 N ATOM 784 CA SER A 53 13.592 2.491 10.115 1.00 0.00 C ATOM 785 C SER A 53 14.487 3.704 10.351 1.00 0.00 C ATOM 786 O SER A 53 14.318 4.433 11.329 1.00 0.00 O ATOM 787 CB SER A 53 13.025 2.530 8.695 1.00 0.00 C ATOM 788 OG SER A 53 12.585 3.834 8.357 1.00 0.00 O ATOM 0 H SER A 53 11.574 2.448 10.686 1.00 0.00 H new ATOM 0 HA SER A 53 14.193 1.589 10.234 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.787 2.205 7.987 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.194 1.830 8.613 1.00 0.00 H new ATOM 0 HG SER A 53 12.347 4.321 9.174 1.00 0.00 H new ATOM 794 N ILE A 54 15.439 3.913 9.448 1.00 0.00 N ATOM 795 CA ILE A 54 16.360 5.038 9.557 1.00 0.00 C ATOM 796 C ILE A 54 16.177 6.012 8.398 1.00 0.00 C ATOM 797 O ILE A 54 15.972 7.208 8.606 1.00 0.00 O ATOM 798 CB ILE A 54 17.826 4.564 9.587 1.00 0.00 C ATOM 799 CG1 ILE A 54 18.771 5.766 9.649 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.130 3.706 8.369 1.00 0.00 C ATOM 801 CD1 ILE A 54 19.129 6.181 11.059 1.00 0.00 C ATOM 0 H ILE A 54 15.593 3.319 8.633 1.00 0.00 H new ATOM 0 HA ILE A 54 16.130 5.544 10.494 1.00 0.00 H new ATOM 0 HB ILE A 54 17.979 3.958 10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.685 5.527 9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.307 6.609 9.137 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.169 3.379 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.475 2.835 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 54 17.964 4.289 7.463 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.801 7.038 11.026 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.222 6.451 11.600 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.622 5.353 11.568 1.00 0.00 H new ATOM 813 N ASN A 55 16.249 5.492 7.177 1.00 0.00 N ATOM 814 CA ASN A 55 16.090 6.317 5.985 1.00 0.00 C ATOM 815 C ASN A 55 15.165 5.641 4.977 1.00 0.00 C ATOM 816 O ASN A 55 14.377 6.302 4.301 1.00 0.00 O ATOM 817 CB ASN A 55 17.451 6.589 5.342 1.00 0.00 C ATOM 818 CG ASN A 55 18.180 5.313 4.969 1.00 0.00 C ATOM 819 OD1 ASN A 55 17.625 4.571 4.017 1.00 0.00 O flip ATOM 820 ND2 ASN A 55 19.230 4.998 5.530 1.00 0.00 N flip ATOM 0 H ASN A 55 16.416 4.504 6.987 1.00 0.00 H new ATOM 0 HA ASN A 55 15.642 7.264 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 55 17.313 7.199 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.066 7.167 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.620 5.599 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 55 19.709 4.137 5.268 1.00 0.00 H new ATOM 827 N GLY A 56 15.266 4.319 4.882 1.00 0.00 N ATOM 828 CA GLY A 56 14.433 3.576 3.955 1.00 0.00 C ATOM 829 C GLY A 56 13.466 2.646 4.661 1.00 0.00 C ATOM 830 O GLY A 56 13.713 2.222 5.790 1.00 0.00 O ATOM 0 H GLY A 56 15.910 3.749 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.872 4.275 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.068 2.995 3.286 1.00 0.00 H new ATOM 834 N VAL A 57 12.359 2.330 3.996 1.00 0.00 N ATOM 835 CA VAL A 57 11.351 1.445 4.567 1.00 0.00 C ATOM 836 C VAL A 57 11.536 0.013 4.080 1.00 0.00 C ATOM 837 O VAL A 57 11.490 -0.256 2.879 1.00 0.00 O ATOM 838 CB VAL A 57 9.927 1.916 4.215 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.890 1.011 4.862 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.724 3.362 4.639 1.00 0.00 C ATOM 0 H VAL A 57 12.138 2.674 3.062 1.00 0.00 H new ATOM 0 HA VAL A 57 11.479 1.476 5.649 1.00 0.00 H new ATOM 0 HB VAL A 57 9.801 1.858 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.890 1.359 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.023 -0.010 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.012 1.034 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.713 3.678 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.869 3.449 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.444 3.997 4.123 1.00 0.00 H new ATOM 850 N ARG A 58 11.747 -0.903 5.019 1.00 0.00 N ATOM 851 CA ARG A 58 11.940 -2.309 4.685 1.00 0.00 C ATOM 852 C ARG A 58 10.599 -3.014 4.501 1.00 0.00 C ATOM 853 O ARG A 58 9.819 -3.144 5.445 1.00 0.00 O ATOM 854 CB ARG A 58 12.750 -3.008 5.779 1.00 0.00 C ATOM 855 CG ARG A 58 12.921 -4.501 5.550 1.00 0.00 C ATOM 856 CD ARG A 58 13.883 -5.113 6.556 1.00 0.00 C ATOM 857 NE ARG A 58 15.213 -4.514 6.475 1.00 0.00 N ATOM 858 CZ ARG A 58 16.078 -4.774 5.501 1.00 0.00 C ATOM 859 NH1 ARG A 58 15.754 -5.616 4.530 1.00 0.00 N ATOM 860 NH2 ARG A 58 17.269 -4.189 5.497 1.00 0.00 N ATOM 0 H ARG A 58 11.789 -0.697 6.017 1.00 0.00 H new ATOM 0 HA ARG A 58 12.490 -2.361 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.734 -2.544 5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.260 -2.850 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.952 -4.995 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.290 -4.675 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.487 -4.982 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.957 -6.186 6.380 1.00 0.00 H new ATOM 0 HE ARG A 58 15.493 -3.860 7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.839 -6.066 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.420 -5.814 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.521 -3.539 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.933 -4.389 4.749 1.00 0.00 H new ATOM 874 N CYS A 59 10.338 -3.467 3.280 1.00 0.00 N ATOM 875 CA CYS A 59 9.092 -4.158 2.970 1.00 0.00 C ATOM 876 C CYS A 59 9.103 -5.577 3.530 1.00 0.00 C ATOM 877 O CYS A 59 9.943 -6.405 3.175 1.00 0.00 O ATOM 878 CB CYS A 59 8.867 -4.196 1.458 1.00 0.00 C ATOM 879 SG CYS A 59 7.181 -4.680 0.968 1.00 0.00 S ATOM 0 H CYS A 59 10.973 -3.368 2.488 1.00 0.00 H new ATOM 0 HA CYS A 59 8.275 -3.608 3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.085 -3.211 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.577 -4.893 1.013 1.00 0.00 H new ATOM 884 N PRO A 60 8.148 -5.868 4.426 1.00 0.00 N ATOM 885 CA PRO A 60 8.026 -7.187 5.054 1.00 0.00 C ATOM 886 C PRO A 60 7.564 -8.256 4.070 1.00 0.00 C ATOM 887 O PRO A 60 7.338 -9.406 4.448 1.00 0.00 O ATOM 888 CB PRO A 60 6.970 -6.967 6.139 1.00 0.00 C ATOM 889 CG PRO A 60 6.162 -5.814 5.653 1.00 0.00 C ATOM 890 CD PRO A 60 7.114 -4.930 4.896 1.00 0.00 C ATOM 0 HA PRO A 60 8.981 -7.546 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.352 -7.854 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.431 -6.749 7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.348 -6.151 5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.709 -5.276 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.620 -4.426 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.536 -4.154 5.534 1.00 0.00 H new ATOM 898 N PHE A 61 7.427 -7.871 2.805 1.00 0.00 N ATOM 899 CA PHE A 61 6.991 -8.797 1.767 1.00 0.00 C ATOM 900 C PHE A 61 8.170 -9.244 0.908 1.00 0.00 C ATOM 901 O PHE A 61 8.409 -10.439 0.734 1.00 0.00 O ATOM 902 CB PHE A 61 5.923 -8.144 0.887 1.00 0.00 C ATOM 903 CG PHE A 61 4.697 -7.723 1.645 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.097 -8.584 2.550 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.144 -6.467 1.453 1.00 0.00 C ATOM 906 CE1 PHE A 61 2.968 -8.200 3.249 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.016 -6.077 2.149 1.00 0.00 C ATOM 908 CZ PHE A 61 2.427 -6.944 3.049 1.00 0.00 C ATOM 0 H PHE A 61 7.612 -6.924 2.475 1.00 0.00 H new ATOM 0 HA PHE A 61 6.564 -9.674 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.353 -7.272 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.633 -8.843 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.516 -9.566 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.600 -5.785 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.509 -8.881 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.595 -5.095 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.546 -6.641 3.595 1.00 0.00 H new ATOM 918 N CYS A 62 8.905 -8.275 0.372 1.00 0.00 N ATOM 919 CA CYS A 62 10.059 -8.567 -0.470 1.00 0.00 C ATOM 920 C CYS A 62 11.360 -8.232 0.254 1.00 0.00 C ATOM 921 O CYS A 62 12.439 -8.656 -0.158 1.00 0.00 O ATOM 922 CB CYS A 62 9.974 -7.778 -1.779 1.00 0.00 C ATOM 923 SG CYS A 62 9.791 -5.980 -1.553 1.00 0.00 S ATOM 0 H CYS A 62 8.722 -7.281 0.506 1.00 0.00 H new ATOM 0 HA CYS A 62 10.053 -9.634 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.872 -7.970 -2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.129 -8.148 -2.360 1.00 0.00 H new ATOM 928 N SER A 63 11.248 -7.468 1.336 1.00 0.00 N ATOM 929 CA SER A 63 12.415 -7.073 2.117 1.00 0.00 C ATOM 930 C SER A 63 13.308 -6.128 1.318 1.00 0.00 C ATOM 931 O SER A 63 14.534 -6.175 1.425 1.00 0.00 O ATOM 932 CB SER A 63 13.211 -8.307 2.543 1.00 0.00 C ATOM 933 OG SER A 63 14.173 -8.657 1.563 1.00 0.00 O ATOM 0 H SER A 63 10.362 -7.110 1.692 1.00 0.00 H new ATOM 0 HA SER A 63 12.066 -6.550 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.709 -8.112 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.532 -9.144 2.705 1.00 0.00 H new ATOM 0 HG SER A 63 13.724 -9.073 0.797 1.00 0.00 H new ATOM 939 N LYS A 64 12.685 -5.271 0.517 1.00 0.00 N ATOM 940 CA LYS A 64 13.421 -4.313 -0.301 1.00 0.00 C ATOM 941 C LYS A 64 13.261 -2.898 0.244 1.00 0.00 C ATOM 942 O LYS A 64 12.143 -2.412 0.418 1.00 0.00 O ATOM 943 CB LYS A 64 12.936 -4.371 -1.751 1.00 0.00 C ATOM 944 CG LYS A 64 13.259 -5.680 -2.449 1.00 0.00 C ATOM 945 CD LYS A 64 12.680 -5.722 -3.853 1.00 0.00 C ATOM 946 CE LYS A 64 13.646 -5.138 -4.872 1.00 0.00 C ATOM 947 NZ LYS A 64 13.428 -5.705 -6.232 1.00 0.00 N ATOM 0 H LYS A 64 11.671 -5.220 0.416 1.00 0.00 H new ATOM 0 HA LYS A 64 14.477 -4.579 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.857 -4.215 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.387 -3.551 -2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.340 -5.811 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.863 -6.511 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.446 -6.752 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.743 -5.166 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.526 -4.055 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.670 -5.336 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.106 -5.282 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.567 -6.735 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.459 -5.495 -6.545 1.00 0.00 H new ATOM 961 N ILE A 65 14.385 -2.241 0.511 1.00 0.00 N ATOM 962 CA ILE A 65 14.369 -0.880 1.033 1.00 0.00 C ATOM 963 C ILE A 65 13.881 0.107 -0.021 1.00 0.00 C ATOM 964 O ILE A 65 14.417 0.168 -1.128 1.00 0.00 O ATOM 965 CB ILE A 65 15.765 -0.447 1.518 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.313 -1.456 2.530 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.705 0.945 2.130 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.541 -1.488 3.830 1.00 0.00 C ATOM 0 H ILE A 65 15.318 -2.629 0.374 1.00 0.00 H new ATOM 0 HA ILE A 65 13.681 -0.874 1.879 1.00 0.00 H new ATOM 0 HB ILE A 65 16.438 -0.418 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.299 -2.450 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.355 -1.217 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.699 1.237 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.352 1.656 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.020 0.940 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.985 -2.225 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.577 -0.505 4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.504 -1.757 3.631 1.00 0.00 H new ATOM 980 N THR A 66 12.860 0.883 0.330 1.00 0.00 N ATOM 981 CA THR A 66 12.299 1.869 -0.585 1.00 0.00 C ATOM 982 C THR A 66 13.231 3.064 -0.744 1.00 0.00 C ATOM 983 O THR A 66 13.300 3.671 -1.813 1.00 0.00 O ATOM 984 CB THR A 66 10.924 2.367 -0.100 1.00 0.00 C ATOM 985 OG1 THR A 66 10.141 1.263 0.368 1.00 0.00 O ATOM 986 CG2 THR A 66 10.182 3.083 -1.219 1.00 0.00 C ATOM 0 H THR A 66 12.405 0.847 1.242 1.00 0.00 H new ATOM 0 HA THR A 66 12.179 1.374 -1.549 1.00 0.00 H new ATOM 0 HB THR A 66 11.084 3.071 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.770 0.777 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.214 3.425 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.767 3.940 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.032 2.398 -2.053 1.00 0.00 H new ATOM 994 N ARG A 67 13.948 3.397 0.324 1.00 0.00 N ATOM 995 CA ARG A 67 14.877 4.520 0.302 1.00 0.00 C ATOM 996 C ARG A 67 14.133 5.836 0.094 1.00 0.00 C ATOM 997 O ARG A 67 14.438 6.594 -0.828 1.00 0.00 O ATOM 998 CB ARG A 67 15.916 4.329 -0.804 1.00 0.00 C ATOM 999 CG ARG A 67 17.189 3.646 -0.333 1.00 0.00 C ATOM 1000 CD ARG A 67 18.184 4.649 0.228 1.00 0.00 C ATOM 1001 NE ARG A 67 18.888 5.371 -0.828 1.00 0.00 N ATOM 1002 CZ ARG A 67 19.418 6.578 -0.666 1.00 0.00 C ATOM 1003 NH1 ARG A 67 19.325 7.195 0.503 1.00 0.00 N ATOM 1004 NH2 ARG A 67 20.044 7.171 -1.676 1.00 0.00 N ATOM 0 H ARG A 67 13.903 2.905 1.216 1.00 0.00 H new ATOM 0 HA ARG A 67 15.385 4.558 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.474 3.740 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.170 5.302 -1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 67 16.946 2.907 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.643 3.107 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.660 5.361 0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.907 4.129 0.856 1.00 0.00 H new ATOM 0 HE ARG A 67 18.978 4.924 -1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.845 6.743 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.733 8.122 0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.118 6.699 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.451 8.098 -1.550 1.00 0.00 H new ATOM 1018 N ILE A 68 13.157 6.101 0.956 1.00 0.00 N ATOM 1019 CA ILE A 68 12.371 7.325 0.867 1.00 0.00 C ATOM 1020 C ILE A 68 12.352 8.065 2.200 1.00 0.00 C ATOM 1021 O ILE A 68 12.144 7.463 3.254 1.00 0.00 O ATOM 1022 CB ILE A 68 10.922 7.033 0.434 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.401 5.777 1.134 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.843 6.876 -1.077 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.985 5.917 1.650 1.00 0.00 C ATOM 0 H ILE A 68 12.892 5.484 1.724 1.00 0.00 H new ATOM 0 HA ILE A 68 12.848 7.952 0.113 1.00 0.00 H new ATOM 0 HB ILE A 68 10.294 7.875 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.445 4.939 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 68 11.061 5.535 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.813 6.670 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.179 7.796 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.481 6.050 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.681 4.989 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.939 6.734 2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.314 6.129 0.818 1.00 0.00 H new ATOM 1037 N THR A 69 12.569 9.375 2.147 1.00 0.00 N ATOM 1038 CA THR A 69 12.576 10.198 3.350 1.00 0.00 C ATOM 1039 C THR A 69 11.241 10.909 3.538 1.00 0.00 C ATOM 1040 O THR A 69 11.175 11.972 4.155 1.00 0.00 O ATOM 1041 CB THR A 69 13.703 11.248 3.305 1.00 0.00 C ATOM 1042 OG1 THR A 69 13.723 11.996 4.526 1.00 0.00 O ATOM 1043 CG2 THR A 69 13.515 12.193 2.129 1.00 0.00 C ATOM 0 H THR A 69 12.742 9.889 1.283 1.00 0.00 H new ATOM 0 HA THR A 69 12.748 9.527 4.191 1.00 0.00 H new ATOM 0 HB THR A 69 14.652 10.726 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.807 12.242 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.322 12.925 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.528 11.624 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.559 12.708 2.225 1.00 0.00 H new ATOM 1051 N SER A 70 10.180 10.316 3.001 1.00 0.00 N ATOM 1052 CA SER A 70 8.845 10.895 3.108 1.00 0.00 C ATOM 1053 C SER A 70 7.791 9.933 2.569 1.00 0.00 C ATOM 1054 O SER A 70 8.062 9.138 1.668 1.00 0.00 O ATOM 1055 CB SER A 70 8.780 12.221 2.346 1.00 0.00 C ATOM 1056 OG SER A 70 7.437 12.621 2.134 1.00 0.00 O ATOM 0 H SER A 70 10.218 9.435 2.488 1.00 0.00 H new ATOM 0 HA SER A 70 8.638 11.079 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.309 12.992 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.288 12.119 1.387 1.00 0.00 H new ATOM 0 HG SER A 70 7.360 13.589 2.265 1.00 0.00 H new ATOM 1062 N LEU A 71 6.588 10.012 3.126 1.00 0.00 N ATOM 1063 CA LEU A 71 5.491 9.149 2.703 1.00 0.00 C ATOM 1064 C LEU A 71 5.107 9.427 1.253 1.00 0.00 C ATOM 1065 O LEU A 71 4.729 8.518 0.513 1.00 0.00 O ATOM 1066 CB LEU A 71 4.277 9.351 3.611 1.00 0.00 C ATOM 1067 CG LEU A 71 4.423 8.850 5.048 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.154 9.125 5.841 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.752 7.364 5.064 1.00 0.00 C ATOM 0 H LEU A 71 6.347 10.665 3.872 1.00 0.00 H new ATOM 0 HA LEU A 71 5.826 8.115 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.044 10.415 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.422 8.850 3.158 1.00 0.00 H new ATOM 0 HG LEU A 71 5.245 9.389 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.277 8.762 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.961 10.198 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.314 8.613 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.852 7.025 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.951 6.809 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.688 7.193 4.533 1.00 0.00 H new ATOM 1081 N THR A 72 5.209 10.690 0.851 1.00 0.00 N ATOM 1082 CA THR A 72 4.874 11.089 -0.510 1.00 0.00 C ATOM 1083 C THR A 72 6.021 10.791 -1.468 1.00 0.00 C ATOM 1084 O THR A 72 5.823 10.701 -2.679 1.00 0.00 O ATOM 1085 CB THR A 72 4.530 12.588 -0.588 1.00 0.00 C ATOM 1086 OG1 THR A 72 4.168 12.939 -1.929 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.709 13.438 -0.138 1.00 0.00 C ATOM 0 H THR A 72 5.521 11.455 1.449 1.00 0.00 H new ATOM 0 HA THR A 72 3.999 10.508 -0.803 1.00 0.00 H new ATOM 0 HB THR A 72 3.688 12.780 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.623 12.341 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.442 14.493 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.964 13.190 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.566 13.241 -0.782 1.00 0.00 H new ATOM 1095 N GLN A 73 7.222 10.640 -0.918 1.00 0.00 N ATOM 1096 CA GLN A 73 8.401 10.353 -1.725 1.00 0.00 C ATOM 1097 C GLN A 73 8.192 9.099 -2.567 1.00 0.00 C ATOM 1098 O GLN A 73 8.199 9.156 -3.798 1.00 0.00 O ATOM 1099 CB GLN A 73 9.629 10.181 -0.829 1.00 0.00 C ATOM 1100 CG GLN A 73 10.870 10.882 -1.357 1.00 0.00 C ATOM 1101 CD GLN A 73 11.719 9.983 -2.234 1.00 0.00 C ATOM 1102 OE1 GLN A 73 12.835 9.612 -1.868 1.00 0.00 O ATOM 1103 NE2 GLN A 73 11.195 9.628 -3.401 1.00 0.00 N ATOM 0 H GLN A 73 7.403 10.712 0.083 1.00 0.00 H new ATOM 0 HA GLN A 73 8.565 11.196 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.400 10.565 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.842 9.118 -0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.571 11.762 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.469 11.234 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.267 9.958 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.721 9.025 -4.034 1.00 0.00 H new ATOM 1112 N LEU A 74 8.007 7.966 -1.897 1.00 0.00 N ATOM 1113 CA LEU A 74 7.796 6.697 -2.584 1.00 0.00 C ATOM 1114 C LEU A 74 6.704 6.825 -3.642 1.00 0.00 C ATOM 1115 O LEU A 74 6.168 7.910 -3.869 1.00 0.00 O ATOM 1116 CB LEU A 74 7.422 5.606 -1.579 1.00 0.00 C ATOM 1117 CG LEU A 74 6.335 5.970 -0.567 1.00 0.00 C ATOM 1118 CD1 LEU A 74 5.013 6.226 -1.273 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.183 4.868 0.471 1.00 0.00 C ATOM 0 H LEU A 74 7.999 7.901 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 74 8.727 6.422 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.095 4.726 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.320 5.321 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 74 6.633 6.885 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.251 6.484 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.130 7.050 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.708 5.329 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.405 5.144 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.908 3.937 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.127 4.733 0.999 1.00 0.00 H new ATOM 1131 N THR A 75 6.376 5.708 -4.285 1.00 0.00 N ATOM 1132 CA THR A 75 5.347 5.695 -5.317 1.00 0.00 C ATOM 1133 C THR A 75 3.958 5.553 -4.707 1.00 0.00 C ATOM 1134 O THR A 75 3.743 4.735 -3.812 1.00 0.00 O ATOM 1135 CB THR A 75 5.574 4.548 -6.321 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.904 4.615 -6.849 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.567 4.619 -7.459 1.00 0.00 C ATOM 0 H THR A 75 6.808 4.801 -4.109 1.00 0.00 H new ATOM 0 HA THR A 75 5.414 6.648 -5.842 1.00 0.00 H new ATOM 0 HB THR A 75 5.439 3.602 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.041 3.882 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.746 3.800 -8.155 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.557 4.539 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.675 5.569 -7.982 1.00 0.00 H new ATOM 1145 N ASP A 76 3.017 6.353 -5.197 1.00 0.00 N ATOM 1146 CA ASP A 76 1.647 6.315 -4.700 1.00 0.00 C ATOM 1147 C ASP A 76 0.884 5.139 -5.301 1.00 0.00 C ATOM 1148 O ASP A 76 1.277 4.592 -6.330 1.00 0.00 O ATOM 1149 CB ASP A 76 0.927 7.625 -5.026 1.00 0.00 C ATOM 1150 CG ASP A 76 1.553 8.818 -4.330 1.00 0.00 C ATOM 1151 OD1 ASP A 76 2.745 8.734 -3.966 1.00 0.00 O ATOM 1152 OD2 ASP A 76 0.851 9.835 -4.148 1.00 0.00 O ATOM 0 H ASP A 76 3.178 7.035 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 76 1.683 6.188 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.943 7.787 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.119 7.544 -4.732 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.209 4.754 -4.649 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.027 3.641 -5.118 1.00 0.00 C ATOM 1159 C ASN A 77 -2.495 4.046 -5.211 1.00 0.00 C ATOM 1160 O ASN A 77 -3.341 3.528 -4.481 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.876 2.440 -4.181 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.691 1.246 -4.637 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -2.812 1.032 -4.176 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.129 0.459 -5.548 1.00 0.00 N ATOM 0 H ASN A 77 -0.548 5.196 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.682 3.363 -6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.175 2.158 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.186 2.726 -3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.629 -0.360 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.197 0.674 -5.903 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.790 4.974 -6.115 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.156 5.449 -6.305 1.00 0.00 C ATOM 1173 C LEU A 78 -4.952 4.482 -7.175 1.00 0.00 C ATOM 1174 O LEU A 78 -6.070 4.783 -7.596 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.150 6.839 -6.943 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.251 7.011 -8.168 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.849 7.424 -7.749 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.210 5.727 -8.984 1.00 0.00 C ATOM 0 H LEU A 78 -2.102 5.412 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.633 5.507 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.171 7.090 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.843 7.562 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.668 7.801 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.224 7.541 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.894 8.370 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.422 6.657 -7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.566 5.868 -9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.818 4.917 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.217 5.475 -9.317 1.00 0.00 H new ATOM 1190 N THR A 79 -4.371 3.316 -7.440 1.00 0.00 N ATOM 1191 CA THR A 79 -5.026 2.303 -8.259 1.00 0.00 C ATOM 1192 C THR A 79 -6.066 1.533 -7.453 1.00 0.00 C ATOM 1193 O THR A 79 -6.954 0.894 -8.017 1.00 0.00 O ATOM 1194 CB THR A 79 -4.006 1.308 -8.844 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.681 0.322 -9.633 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.218 0.626 -7.736 1.00 0.00 C ATOM 0 H THR A 79 -3.447 3.050 -7.099 1.00 0.00 H new ATOM 0 HA THR A 79 -5.520 2.828 -9.077 1.00 0.00 H new ATOM 0 HB THR A 79 -3.310 1.863 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.026 -0.306 -10.003 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.504 -0.072 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.682 1.377 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.902 0.084 -7.084 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.950 1.598 -6.130 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.881 0.908 -5.246 1.00 0.00 C ATOM 1206 C VAL A 80 -8.156 1.721 -5.048 1.00 0.00 C ATOM 1207 O VAL A 80 -9.198 1.181 -4.674 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.247 0.626 -3.872 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.199 -0.472 -3.982 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.641 1.896 -3.294 1.00 0.00 C ATOM 0 H VAL A 80 -5.220 2.122 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.128 -0.040 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.029 0.283 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.762 -0.657 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.666 -1.386 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.417 -0.161 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.197 1.678 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.871 2.272 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.420 2.650 -3.176 1.00 0.00 H new ATOM 1220 N LEU A 81 -8.067 3.022 -5.302 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.213 3.911 -5.153 1.00 0.00 C ATOM 1222 C LEU A 81 -10.092 3.881 -6.399 1.00 0.00 C ATOM 1223 O LEU A 81 -11.319 3.937 -6.309 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.743 5.341 -4.881 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.703 5.506 -3.771 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -7.171 6.930 -3.746 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.301 5.134 -2.422 1.00 0.00 C ATOM 0 H LEU A 81 -7.212 3.484 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.804 3.562 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.328 5.748 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.614 5.947 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.870 4.833 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.433 7.029 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.705 7.161 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.993 7.622 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.548 5.257 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.151 5.782 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.633 4.096 -2.445 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.457 3.790 -7.562 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.179 3.749 -8.828 1.00 0.00 C ATOM 1241 C LYS A 82 -11.201 2.617 -8.834 1.00 0.00 C ATOM 1242 O LYS A 82 -10.903 1.496 -8.421 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.201 3.574 -9.992 1.00 0.00 C ATOM 1244 CG LYS A 82 -9.808 3.885 -11.349 1.00 0.00 C ATOM 1245 CD LYS A 82 -9.865 5.382 -11.604 1.00 0.00 C ATOM 1246 CE LYS A 82 -8.519 5.920 -12.066 1.00 0.00 C ATOM 1247 NZ LYS A 82 -8.166 5.435 -13.428 1.00 0.00 N ATOM 0 H LYS A 82 -8.442 3.743 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.709 4.694 -8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.339 4.222 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.832 2.548 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.220 3.404 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.813 3.467 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.622 5.595 -12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.170 5.896 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.543 7.010 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.745 5.617 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.434 6.050 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.806 4.461 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.011 5.454 -14.033 1.00 0.00 H new ATOM 1261 N SER A 83 -12.407 2.917 -9.307 1.00 0.00 N ATOM 1262 CA SER A 83 -13.474 1.924 -9.365 1.00 0.00 C ATOM 1263 C SER A 83 -12.933 0.571 -9.815 1.00 0.00 C ATOM 1264 O SER A 83 -13.196 -0.455 -9.189 1.00 0.00 O ATOM 1265 CB SER A 83 -14.579 2.387 -10.316 1.00 0.00 C ATOM 1266 OG SER A 83 -15.608 1.418 -10.412 1.00 0.00 O ATOM 0 H SER A 83 -12.669 3.839 -9.655 1.00 0.00 H new ATOM 0 HA SER A 83 -13.890 1.814 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.995 3.330 -9.963 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.158 2.574 -11.304 1.00 0.00 H new ATOM 0 HG SER A 83 -16.303 1.738 -11.024 1.00 0.00 H new ATOM 1272 N GLY A 84 -12.175 0.577 -10.907 1.00 0.00 N ATOM 1273 CA GLY A 84 -11.608 -0.655 -11.424 1.00 0.00 C ATOM 1274 C GLY A 84 -12.566 -1.396 -12.335 1.00 0.00 C ATOM 1275 O GLY A 84 -13.698 -1.705 -11.962 1.00 0.00 O ATOM 0 H GLY A 84 -11.943 1.413 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.693 -0.429 -11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.330 -1.301 -10.591 1.00 0.00 H new ATOM 1279 N PRO A 85 -12.113 -1.692 -13.562 1.00 0.00 N ATOM 1280 CA PRO A 85 -12.923 -2.404 -14.555 1.00 0.00 C ATOM 1281 C PRO A 85 -13.148 -3.865 -14.180 1.00 0.00 C ATOM 1282 O PRO A 85 -12.255 -4.524 -13.647 1.00 0.00 O ATOM 1283 CB PRO A 85 -12.086 -2.304 -15.833 1.00 0.00 C ATOM 1284 CG PRO A 85 -10.685 -2.136 -15.357 1.00 0.00 C ATOM 1285 CD PRO A 85 -10.774 -1.355 -14.075 1.00 0.00 C ATOM 0 HA PRO A 85 -13.922 -1.977 -14.648 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.191 -3.199 -16.446 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -12.400 -1.459 -16.446 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.210 -3.103 -15.193 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.083 -1.607 -16.095 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.991 -1.643 -13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.668 -0.284 -14.249 1.00 0.00 H new ATOM 1293 N SER A 86 -14.347 -4.365 -14.461 1.00 0.00 N ATOM 1294 CA SER A 86 -14.691 -5.748 -14.150 1.00 0.00 C ATOM 1295 C SER A 86 -15.271 -6.452 -15.372 1.00 0.00 C ATOM 1296 O SER A 86 -16.248 -7.195 -15.269 1.00 0.00 O ATOM 1297 CB SER A 86 -15.692 -5.799 -12.994 1.00 0.00 C ATOM 1298 OG SER A 86 -16.856 -5.048 -13.294 1.00 0.00 O ATOM 0 H SER A 86 -15.097 -3.833 -14.903 1.00 0.00 H new ATOM 0 HA SER A 86 -13.779 -6.266 -13.854 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.966 -6.834 -12.791 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.227 -5.409 -12.089 1.00 0.00 H new ATOM 0 HG SER A 86 -17.481 -5.098 -12.541 1.00 0.00 H new ATOM 1304 N SER A 87 -14.663 -6.213 -16.530 1.00 0.00 N ATOM 1305 CA SER A 87 -15.121 -6.820 -17.774 1.00 0.00 C ATOM 1306 C SER A 87 -14.147 -7.896 -18.243 1.00 0.00 C ATOM 1307 O SER A 87 -13.831 -7.989 -19.429 1.00 0.00 O ATOM 1308 CB SER A 87 -15.282 -5.753 -18.858 1.00 0.00 C ATOM 1309 OG SER A 87 -14.053 -5.092 -19.109 1.00 0.00 O ATOM 0 H SER A 87 -13.852 -5.603 -16.632 1.00 0.00 H new ATOM 0 HA SER A 87 -16.088 -7.286 -17.588 1.00 0.00 H new ATOM 0 HB2 SER A 87 -15.644 -6.215 -19.776 1.00 0.00 H new ATOM 0 HB3 SER A 87 -16.033 -5.026 -18.549 1.00 0.00 H new ATOM 0 HG SER A 87 -14.182 -4.416 -19.807 1.00 0.00 H new ATOM 1315 N GLY A 88 -13.673 -8.708 -17.303 1.00 0.00 N ATOM 1316 CA GLY A 88 -12.740 -9.768 -17.639 1.00 0.00 C ATOM 1317 C GLY A 88 -11.356 -9.240 -17.962 1.00 0.00 C ATOM 1318 O GLY A 88 -10.388 -9.678 -17.341 1.00 0.00 O ATOM 0 H GLY A 88 -13.918 -8.651 -16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.674 -10.467 -16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.121 -10.326 -18.494 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.897 -1.749 6.401 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.565 -5.362 -1.272 1.00 0.00 ZN