USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 708 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 ASN : amide:sc= -3.8! K(o=-3.6!,f=-0.77) USER MOD Set 1.2: A 83 SER OG : rot -160:sc= 0.2 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 180:sc= 0.0107 USER MOD Single : A 5 SER OG : rot 45:sc= 0.511 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.817 USER MOD Single : A 42 LYS NZ :NH3+ 142:sc= 0.19 (180deg=0) USER MOD Single : A 47 SER OG : rot -94:sc= 0.0248 USER MOD Single : A 48 SER OG : rot -170:sc= 0.0254 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.203) USER MOD Single : A 61 THR OG1 : rot -61:sc= 0.596 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 70 SER OG : rot -43:sc= 0.923 USER MOD Single : A 71 THR OG1 : rot 137:sc= 0.0465 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 73 MET CE :methyl -127:sc= -3.39! (180deg=-6.31!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -17:sc= 1.07 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-1.2) USER MOD Single : A 88 MET CE :methyl -176:sc= -6.31! (180deg=-6.38!) USER MOD Single : A 89 MET CE :methyl -116:sc= -0.0358 (180deg=-3.42!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.337 -3.552 -30.488 1.00 0.00 N ATOM 2 CA GLY A 1 -3.957 -3.367 -29.098 1.00 0.00 C ATOM 3 C GLY A 1 -4.836 -4.209 -28.172 1.00 0.00 C ATOM 4 O GLY A 1 -4.340 -5.088 -27.468 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.726 -2.970 -31.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.230 -4.554 -30.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.328 -3.265 -30.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.911 -3.644 -28.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.045 -2.314 -28.830 1.00 0.00 H new ATOM 8 N SER A 2 -6.127 -3.912 -28.202 1.00 0.00 N ATOM 9 CA SER A 2 -7.080 -4.631 -27.374 1.00 0.00 C ATOM 10 C SER A 2 -6.782 -6.131 -27.415 1.00 0.00 C ATOM 11 O SER A 2 -6.449 -6.673 -28.468 1.00 0.00 O ATOM 12 CB SER A 2 -8.516 -4.363 -27.827 1.00 0.00 C ATOM 13 OG SER A 2 -8.871 -5.141 -28.966 1.00 0.00 O ATOM 0 H SER A 2 -6.535 -3.183 -28.787 1.00 0.00 H new ATOM 0 HA SER A 2 -6.979 -4.275 -26.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.201 -4.585 -27.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.631 -3.305 -28.061 1.00 0.00 H new ATOM 0 HG SER A 2 -9.796 -4.942 -29.223 1.00 0.00 H new ATOM 19 N SER A 3 -6.912 -6.761 -26.256 1.00 0.00 N ATOM 20 CA SER A 3 -6.661 -8.187 -26.147 1.00 0.00 C ATOM 21 C SER A 3 -7.758 -8.969 -26.873 1.00 0.00 C ATOM 22 O SER A 3 -8.745 -8.389 -27.321 1.00 0.00 O ATOM 23 CB SER A 3 -6.580 -8.622 -24.683 1.00 0.00 C ATOM 24 OG SER A 3 -7.622 -8.049 -23.898 1.00 0.00 O ATOM 0 H SER A 3 -7.188 -6.309 -25.384 1.00 0.00 H new ATOM 0 HA SER A 3 -5.700 -8.401 -26.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.637 -9.709 -24.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.614 -8.331 -24.271 1.00 0.00 H new ATOM 0 HG SER A 3 -7.537 -8.352 -22.970 1.00 0.00 H new ATOM 30 N GLY A 4 -7.547 -10.274 -26.967 1.00 0.00 N ATOM 31 CA GLY A 4 -8.506 -11.141 -27.630 1.00 0.00 C ATOM 32 C GLY A 4 -9.295 -11.966 -26.613 1.00 0.00 C ATOM 33 O GLY A 4 -10.092 -11.422 -25.850 1.00 0.00 O ATOM 0 H GLY A 4 -6.726 -10.752 -26.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.192 -10.540 -28.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.985 -11.807 -28.318 1.00 0.00 H new ATOM 37 N SER A 5 -9.046 -13.268 -26.634 1.00 0.00 N ATOM 38 CA SER A 5 -9.724 -14.174 -25.722 1.00 0.00 C ATOM 39 C SER A 5 -8.699 -15.047 -24.994 1.00 0.00 C ATOM 40 O SER A 5 -8.236 -16.050 -25.536 1.00 0.00 O ATOM 41 CB SER A 5 -10.734 -15.050 -26.465 1.00 0.00 C ATOM 42 OG SER A 5 -10.132 -15.764 -27.541 1.00 0.00 O ATOM 0 H SER A 5 -8.385 -13.716 -27.268 1.00 0.00 H new ATOM 0 HA SER A 5 -10.270 -13.578 -24.991 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.183 -15.757 -25.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.541 -14.426 -26.850 1.00 0.00 H new ATOM 0 HG SER A 5 -9.281 -16.148 -27.243 1.00 0.00 H new ATOM 48 N SER A 6 -8.374 -14.633 -23.778 1.00 0.00 N ATOM 49 CA SER A 6 -7.413 -15.364 -22.971 1.00 0.00 C ATOM 50 C SER A 6 -7.469 -14.878 -21.521 1.00 0.00 C ATOM 51 O SER A 6 -7.893 -13.754 -21.256 1.00 0.00 O ATOM 52 CB SER A 6 -5.996 -15.211 -23.528 1.00 0.00 C ATOM 53 OG SER A 6 -5.024 -15.834 -22.693 1.00 0.00 O ATOM 0 H SER A 6 -8.759 -13.800 -23.332 1.00 0.00 H new ATOM 0 HA SER A 6 -7.675 -16.422 -23.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.950 -15.647 -24.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.760 -14.152 -23.632 1.00 0.00 H new ATOM 0 HG SER A 6 -4.133 -15.716 -23.084 1.00 0.00 H new ATOM 59 N GLY A 7 -7.035 -15.748 -20.621 1.00 0.00 N ATOM 60 CA GLY A 7 -7.030 -15.420 -19.206 1.00 0.00 C ATOM 61 C GLY A 7 -5.624 -15.044 -18.735 1.00 0.00 C ATOM 62 O GLY A 7 -4.677 -15.805 -18.925 1.00 0.00 O ATOM 0 H GLY A 7 -6.684 -16.679 -20.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.714 -14.592 -19.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.395 -16.271 -18.631 1.00 0.00 H new ATOM 66 N SER A 8 -5.533 -13.869 -18.128 1.00 0.00 N ATOM 67 CA SER A 8 -4.258 -13.382 -17.628 1.00 0.00 C ATOM 68 C SER A 8 -4.387 -12.997 -16.153 1.00 0.00 C ATOM 69 O SER A 8 -5.494 -12.797 -15.655 1.00 0.00 O ATOM 70 CB SER A 8 -3.766 -12.187 -18.447 1.00 0.00 C ATOM 71 OG SER A 8 -2.363 -12.248 -18.689 1.00 0.00 O ATOM 0 H SER A 8 -6.321 -13.241 -17.971 1.00 0.00 H new ATOM 0 HA SER A 8 -3.524 -14.182 -17.725 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.297 -12.156 -19.398 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.003 -11.263 -17.919 1.00 0.00 H new ATOM 0 HG SER A 8 -2.088 -11.469 -19.216 1.00 0.00 H new ATOM 77 N ASP A 9 -3.240 -12.905 -15.496 1.00 0.00 N ATOM 78 CA ASP A 9 -3.211 -12.548 -14.088 1.00 0.00 C ATOM 79 C ASP A 9 -4.042 -11.282 -13.870 1.00 0.00 C ATOM 80 O ASP A 9 -3.631 -10.191 -14.263 1.00 0.00 O ATOM 81 CB ASP A 9 -1.782 -12.262 -13.622 1.00 0.00 C ATOM 82 CG ASP A 9 -0.761 -13.349 -13.964 1.00 0.00 C ATOM 83 OD1 ASP A 9 -0.702 -13.716 -15.157 1.00 0.00 O ATOM 84 OD2 ASP A 9 -0.062 -13.787 -13.025 1.00 0.00 O ATOM 0 H ASP A 9 -2.324 -13.072 -15.913 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.615 -13.385 -13.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.452 -11.322 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.790 -12.119 -12.541 1.00 0.00 H new ATOM 89 N ILE A 10 -5.195 -11.469 -13.245 1.00 0.00 N ATOM 90 CA ILE A 10 -6.086 -10.355 -12.970 1.00 0.00 C ATOM 91 C ILE A 10 -5.432 -9.424 -11.948 1.00 0.00 C ATOM 92 O ILE A 10 -4.541 -9.837 -11.208 1.00 0.00 O ATOM 93 CB ILE A 10 -7.465 -10.864 -12.545 1.00 0.00 C ATOM 94 CG1 ILE A 10 -8.089 -11.735 -13.638 1.00 0.00 C ATOM 95 CG2 ILE A 10 -8.379 -9.704 -12.145 1.00 0.00 C ATOM 96 CD1 ILE A 10 -7.722 -13.208 -13.441 1.00 0.00 C ATOM 0 H ILE A 10 -5.533 -12.375 -12.921 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.253 -9.769 -13.874 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.340 -11.493 -11.664 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.173 -11.621 -13.624 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.746 -11.399 -14.616 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.352 -10.094 -11.847 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.935 -9.162 -11.310 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.502 -9.029 -12.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.178 -13.805 -14.231 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.639 -13.321 -13.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.088 -13.548 -12.472 1.00 0.00 H new ATOM 108 N ILE A 11 -5.901 -8.184 -11.939 1.00 0.00 N ATOM 109 CA ILE A 11 -5.373 -7.191 -11.019 1.00 0.00 C ATOM 110 C ILE A 11 -6.255 -7.139 -9.770 1.00 0.00 C ATOM 111 O ILE A 11 -7.455 -7.401 -9.842 1.00 0.00 O ATOM 112 CB ILE A 11 -5.218 -5.840 -11.720 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.003 -5.841 -12.650 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.161 -4.698 -10.703 1.00 0.00 C ATOM 115 CD1 ILE A 11 -2.725 -5.498 -11.882 1.00 0.00 C ATOM 0 H ILE A 11 -6.641 -7.845 -12.554 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.372 -7.470 -10.691 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.098 -5.674 -12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.899 -6.820 -13.117 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.154 -5.119 -13.453 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.051 -3.749 -11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.081 -4.685 -10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.311 -4.846 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.876 -5.506 -12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.823 -4.508 -11.436 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.564 -6.236 -11.096 1.00 0.00 H new ATOM 127 N HIS A 12 -5.627 -6.798 -8.655 1.00 0.00 N ATOM 128 CA HIS A 12 -6.340 -6.707 -7.392 1.00 0.00 C ATOM 129 C HIS A 12 -6.371 -5.251 -6.923 1.00 0.00 C ATOM 130 O HIS A 12 -5.369 -4.544 -7.016 1.00 0.00 O ATOM 131 CB HIS A 12 -5.730 -7.651 -6.354 1.00 0.00 C ATOM 132 CG HIS A 12 -6.054 -9.108 -6.584 1.00 0.00 C ATOM 133 ND1 HIS A 12 -6.441 -9.960 -5.564 1.00 0.00 N ATOM 134 CD2 HIS A 12 -6.046 -9.854 -7.726 1.00 0.00 C ATOM 135 CE1 HIS A 12 -6.652 -11.162 -6.080 1.00 0.00 C ATOM 136 NE2 HIS A 12 -6.407 -11.094 -7.420 1.00 0.00 N ATOM 0 H HIS A 12 -4.632 -6.581 -8.599 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.372 -7.030 -7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.647 -7.525 -6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.083 -7.363 -5.364 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.789 -9.496 -8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.963 -12.041 -5.535 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.488 -11.869 -8.079 1.00 0.00 H new ATOM 144 N SER A 13 -7.532 -4.846 -6.430 1.00 0.00 N ATOM 145 CA SER A 13 -7.707 -3.487 -5.946 1.00 0.00 C ATOM 146 C SER A 13 -7.697 -3.471 -4.416 1.00 0.00 C ATOM 147 O SER A 13 -8.426 -4.229 -3.779 1.00 0.00 O ATOM 148 CB SER A 13 -9.006 -2.877 -6.475 1.00 0.00 C ATOM 149 OG SER A 13 -9.983 -3.873 -6.767 1.00 0.00 O ATOM 0 H SER A 13 -8.361 -5.435 -6.355 1.00 0.00 H new ATOM 0 HA SER A 13 -6.878 -2.883 -6.315 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.407 -2.181 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.795 -2.300 -7.376 1.00 0.00 H new ATOM 0 HG SER A 13 -10.798 -3.444 -7.101 1.00 0.00 H new ATOM 155 N VAL A 14 -6.862 -2.598 -3.871 1.00 0.00 N ATOM 156 CA VAL A 14 -6.748 -2.473 -2.428 1.00 0.00 C ATOM 157 C VAL A 14 -6.474 -1.012 -2.067 1.00 0.00 C ATOM 158 O VAL A 14 -5.844 -0.287 -2.835 1.00 0.00 O ATOM 159 CB VAL A 14 -5.675 -3.430 -1.903 1.00 0.00 C ATOM 160 CG1 VAL A 14 -4.363 -3.256 -2.670 1.00 0.00 C ATOM 161 CG2 VAL A 14 -5.461 -3.242 -0.400 1.00 0.00 C ATOM 0 H VAL A 14 -6.258 -1.971 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.683 -2.757 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.026 -4.449 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.618 -3.947 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.529 -3.463 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.006 -2.233 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.694 -3.934 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.143 -2.218 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.394 -3.440 0.128 1.00 0.00 H new ATOM 171 N ARG A 15 -6.960 -0.623 -0.897 1.00 0.00 N ATOM 172 CA ARG A 15 -6.775 0.739 -0.425 1.00 0.00 C ATOM 173 C ARG A 15 -6.196 0.736 0.990 1.00 0.00 C ATOM 174 O ARG A 15 -6.914 0.491 1.959 1.00 0.00 O ATOM 175 CB ARG A 15 -8.099 1.506 -0.425 1.00 0.00 C ATOM 176 CG ARG A 15 -8.356 2.157 -1.786 1.00 0.00 C ATOM 177 CD ARG A 15 -9.567 3.089 -1.728 1.00 0.00 C ATOM 178 NE ARG A 15 -10.751 2.417 -2.308 1.00 0.00 N ATOM 179 CZ ARG A 15 -11.869 3.055 -2.682 1.00 0.00 C ATOM 180 NH1 ARG A 15 -11.961 4.384 -2.541 1.00 0.00 N ATOM 181 NH2 ARG A 15 -12.894 2.363 -3.199 1.00 0.00 N ATOM 0 H ARG A 15 -7.482 -1.227 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.081 1.234 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.917 0.827 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.080 2.272 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.475 2.719 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.523 1.385 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.769 3.372 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.356 4.008 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.714 1.405 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.180 4.911 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.812 4.869 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.823 1.351 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.745 2.848 -3.484 1.00 0.00 H new ATOM 195 N VAL A 16 -4.901 1.010 1.066 1.00 0.00 N ATOM 196 CA VAL A 16 -4.217 1.042 2.348 1.00 0.00 C ATOM 197 C VAL A 16 -4.163 2.484 2.856 1.00 0.00 C ATOM 198 O VAL A 16 -3.768 3.390 2.124 1.00 0.00 O ATOM 199 CB VAL A 16 -2.833 0.402 2.218 1.00 0.00 C ATOM 200 CG1 VAL A 16 -2.013 0.606 3.493 1.00 0.00 C ATOM 201 CG2 VAL A 16 -2.947 -1.084 1.871 1.00 0.00 C ATOM 0 H VAL A 16 -4.308 1.212 0.261 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.763 0.457 3.088 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.310 0.898 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.034 0.142 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.889 1.673 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.531 0.149 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.950 -1.515 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.498 -1.600 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.475 -1.197 0.924 1.00 0.00 H new ATOM 211 N GLU A 17 -4.566 2.652 4.107 1.00 0.00 N ATOM 212 CA GLU A 17 -4.569 3.968 4.722 1.00 0.00 C ATOM 213 C GLU A 17 -3.268 4.196 5.495 1.00 0.00 C ATOM 214 O GLU A 17 -2.696 3.256 6.046 1.00 0.00 O ATOM 215 CB GLU A 17 -5.785 4.145 5.633 1.00 0.00 C ATOM 216 CG GLU A 17 -7.005 4.609 4.835 1.00 0.00 C ATOM 217 CD GLU A 17 -8.273 4.553 5.690 1.00 0.00 C ATOM 218 OE1 GLU A 17 -8.405 3.567 6.447 1.00 0.00 O ATOM 219 OE2 GLU A 17 -9.083 5.498 5.566 1.00 0.00 O ATOM 0 H GLU A 17 -4.893 1.898 4.711 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.636 4.716 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.010 3.203 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.557 4.873 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.846 5.627 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.128 3.980 3.954 1.00 0.00 H new ATOM 226 N LYS A 18 -2.838 5.449 5.510 1.00 0.00 N ATOM 227 CA LYS A 18 -1.615 5.812 6.205 1.00 0.00 C ATOM 228 C LYS A 18 -1.898 5.917 7.705 1.00 0.00 C ATOM 229 O LYS A 18 -3.048 6.067 8.114 1.00 0.00 O ATOM 230 CB LYS A 18 -1.012 7.082 5.602 1.00 0.00 C ATOM 231 CG LYS A 18 -1.961 8.271 5.767 1.00 0.00 C ATOM 232 CD LYS A 18 -1.270 9.582 5.388 1.00 0.00 C ATOM 233 CE LYS A 18 -0.858 10.365 6.636 1.00 0.00 C ATOM 234 NZ LYS A 18 0.270 11.273 6.329 1.00 0.00 N ATOM 0 H LYS A 18 -3.315 6.226 5.052 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.859 5.037 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.060 7.302 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.803 6.923 4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.842 8.127 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.307 8.324 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.390 9.371 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.941 10.188 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.706 10.941 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.571 9.674 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.537 11.797 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.083 10.716 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.017 11.945 5.588 1.00 0.00 H new ATOM 248 N SER A 19 -0.829 5.836 8.484 1.00 0.00 N ATOM 249 CA SER A 19 -0.949 5.921 9.929 1.00 0.00 C ATOM 250 C SER A 19 0.333 6.504 10.527 1.00 0.00 C ATOM 251 O SER A 19 1.423 6.289 9.998 1.00 0.00 O ATOM 252 CB SER A 19 -1.242 4.548 10.539 1.00 0.00 C ATOM 253 OG SER A 19 -0.315 3.559 10.100 1.00 0.00 O ATOM 0 H SER A 19 0.124 5.712 8.141 1.00 0.00 H new ATOM 0 HA SER A 19 -1.785 6.580 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.208 4.620 11.626 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.253 4.241 10.272 1.00 0.00 H new ATOM 0 HG SER A 19 -0.535 2.698 10.513 1.00 0.00 H new ATOM 259 N PRO A 20 0.157 7.249 11.651 1.00 0.00 N ATOM 260 CA PRO A 20 1.286 7.864 12.326 1.00 0.00 C ATOM 261 C PRO A 20 2.095 6.822 13.102 1.00 0.00 C ATOM 262 O PRO A 20 2.090 6.818 14.333 1.00 0.00 O ATOM 263 CB PRO A 20 0.676 8.930 13.222 1.00 0.00 C ATOM 264 CG PRO A 20 -0.792 8.563 13.366 1.00 0.00 C ATOM 265 CD PRO A 20 -1.119 7.524 12.306 1.00 0.00 C ATOM 0 HA PRO A 20 2.000 8.307 11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.170 8.953 14.193 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.790 9.921 12.783 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.991 8.168 14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.420 9.445 13.242 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.538 6.622 12.752 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.856 7.901 11.596 1.00 0.00 H new ATOM 273 N ALA A 21 2.770 5.965 12.352 1.00 0.00 N ATOM 274 CA ALA A 21 3.582 4.921 12.954 1.00 0.00 C ATOM 275 C ALA A 21 4.975 4.935 12.321 1.00 0.00 C ATOM 276 O ALA A 21 5.971 5.158 13.008 1.00 0.00 O ATOM 277 CB ALA A 21 2.881 3.571 12.790 1.00 0.00 C ATOM 0 H ALA A 21 2.772 5.972 11.332 1.00 0.00 H new ATOM 0 HA ALA A 21 3.704 5.098 14.023 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.490 2.788 13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.909 3.604 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.744 3.358 11.730 1.00 0.00 H new ATOM 283 N GLY A 22 5.001 4.694 11.018 1.00 0.00 N ATOM 284 CA GLY A 22 6.255 4.676 10.285 1.00 0.00 C ATOM 285 C GLY A 22 6.245 3.591 9.207 1.00 0.00 C ATOM 286 O GLY A 22 6.262 3.894 8.015 1.00 0.00 O ATOM 0 H GLY A 22 4.173 4.510 10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.425 5.649 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.081 4.501 10.975 1.00 0.00 H new ATOM 290 N ARG A 23 6.216 2.347 9.664 1.00 0.00 N ATOM 291 CA ARG A 23 6.203 1.215 8.754 1.00 0.00 C ATOM 292 C ARG A 23 4.774 0.924 8.289 1.00 0.00 C ATOM 293 O ARG A 23 3.893 0.662 9.107 1.00 0.00 O ATOM 294 CB ARG A 23 6.779 -0.035 9.421 1.00 0.00 C ATOM 295 CG ARG A 23 8.271 -0.182 9.114 1.00 0.00 C ATOM 296 CD ARG A 23 8.778 -1.571 9.507 1.00 0.00 C ATOM 297 NE ARG A 23 10.216 -1.507 9.848 1.00 0.00 N ATOM 298 CZ ARG A 23 10.850 -2.414 10.605 1.00 0.00 C ATOM 299 NH1 ARG A 23 10.176 -3.459 11.104 1.00 0.00 N ATOM 300 NH2 ARG A 23 12.157 -2.275 10.863 1.00 0.00 N ATOM 0 H ARG A 23 6.201 2.099 10.653 1.00 0.00 H new ATOM 0 HA ARG A 23 6.823 1.473 7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.630 0.022 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.243 -0.918 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.445 -0.015 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.834 0.580 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.210 -1.947 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.621 -2.270 8.686 1.00 0.00 H new ATOM 0 HE ARG A 23 10.759 -0.724 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.181 -3.565 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.658 -4.149 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.670 -1.479 10.484 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.639 -2.965 11.439 1.00 0.00 H new ATOM 314 N LEU A 24 4.589 0.979 6.978 1.00 0.00 N ATOM 315 CA LEU A 24 3.283 0.724 6.396 1.00 0.00 C ATOM 316 C LEU A 24 2.659 -0.500 7.069 1.00 0.00 C ATOM 317 O LEU A 24 3.367 -1.327 7.640 1.00 0.00 O ATOM 318 CB LEU A 24 3.390 0.602 4.874 1.00 0.00 C ATOM 319 CG LEU A 24 2.748 1.729 4.064 1.00 0.00 C ATOM 320 CD1 LEU A 24 1.309 1.982 4.520 1.00 0.00 C ATOM 321 CD2 LEU A 24 3.599 2.999 4.121 1.00 0.00 C ATOM 0 H LEU A 24 5.322 1.196 6.303 1.00 0.00 H new ATOM 0 HA LEU A 24 2.613 1.564 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.445 0.545 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.934 -0.341 4.572 1.00 0.00 H new ATOM 0 HG LEU A 24 2.705 1.417 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.876 2.788 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.720 1.075 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.305 2.263 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.120 3.785 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.697 3.325 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.588 2.793 3.710 1.00 0.00 H new ATOM 333 N GLY A 25 1.339 -0.575 6.980 1.00 0.00 N ATOM 334 CA GLY A 25 0.611 -1.684 7.573 1.00 0.00 C ATOM 335 C GLY A 25 1.107 -3.023 7.023 1.00 0.00 C ATOM 336 O GLY A 25 0.838 -4.074 7.602 1.00 0.00 O ATOM 0 H GLY A 25 0.755 0.114 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.731 -1.665 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.454 -1.575 7.369 1.00 0.00 H new ATOM 340 N PHE A 26 1.824 -2.940 5.912 1.00 0.00 N ATOM 341 CA PHE A 26 2.360 -4.132 5.277 1.00 0.00 C ATOM 342 C PHE A 26 3.879 -4.032 5.118 1.00 0.00 C ATOM 343 O PHE A 26 4.431 -2.934 5.076 1.00 0.00 O ATOM 344 CB PHE A 26 1.719 -4.228 3.891 1.00 0.00 C ATOM 345 CG PHE A 26 1.925 -2.986 3.023 1.00 0.00 C ATOM 346 CD1 PHE A 26 1.241 -1.843 3.297 1.00 0.00 C ATOM 347 CD2 PHE A 26 2.794 -3.024 1.977 1.00 0.00 C ATOM 348 CE1 PHE A 26 1.432 -0.690 2.490 1.00 0.00 C ATOM 349 CE2 PHE A 26 2.985 -1.871 1.171 1.00 0.00 C ATOM 350 CZ PHE A 26 2.300 -0.728 1.445 1.00 0.00 C ATOM 0 H PHE A 26 2.046 -2.066 5.435 1.00 0.00 H new ATOM 0 HA PHE A 26 2.142 -5.009 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.129 -5.094 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.650 -4.404 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.552 -1.812 4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.338 -3.931 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.887 0.217 2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.674 -1.901 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.446 0.149 0.832 1.00 0.00 H new ATOM 360 N SER A 27 4.510 -5.194 5.033 1.00 0.00 N ATOM 361 CA SER A 27 5.954 -5.251 4.879 1.00 0.00 C ATOM 362 C SER A 27 6.311 -5.763 3.482 1.00 0.00 C ATOM 363 O SER A 27 5.769 -6.769 3.028 1.00 0.00 O ATOM 364 CB SER A 27 6.587 -6.143 5.949 1.00 0.00 C ATOM 365 OG SER A 27 7.629 -5.475 6.653 1.00 0.00 O ATOM 0 H SER A 27 4.048 -6.103 5.068 1.00 0.00 H new ATOM 0 HA SER A 27 6.351 -4.244 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.820 -6.463 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.985 -7.043 5.481 1.00 0.00 H new ATOM 0 HG SER A 27 8.006 -6.077 7.328 1.00 0.00 H new ATOM 371 N VAL A 28 7.222 -5.046 2.839 1.00 0.00 N ATOM 372 CA VAL A 28 7.658 -5.415 1.503 1.00 0.00 C ATOM 373 C VAL A 28 9.088 -5.957 1.570 1.00 0.00 C ATOM 374 O VAL A 28 9.836 -5.633 2.491 1.00 0.00 O ATOM 375 CB VAL A 28 7.515 -4.220 0.558 1.00 0.00 C ATOM 376 CG1 VAL A 28 6.042 -3.905 0.293 1.00 0.00 C ATOM 377 CG2 VAL A 28 8.249 -2.995 1.108 1.00 0.00 C ATOM 0 H VAL A 28 7.670 -4.212 3.219 1.00 0.00 H new ATOM 0 HA VAL A 28 7.028 -6.208 1.100 1.00 0.00 H new ATOM 0 HB VAL A 28 7.976 -4.487 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.968 -3.052 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.561 -4.771 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.546 -3.668 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.132 -2.160 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.831 -2.725 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.308 -3.226 1.221 1.00 0.00 H new ATOM 387 N ARG A 29 9.424 -6.773 0.581 1.00 0.00 N ATOM 388 CA ARG A 29 10.750 -7.363 0.515 1.00 0.00 C ATOM 389 C ARG A 29 11.385 -7.090 -0.849 1.00 0.00 C ATOM 390 O ARG A 29 10.682 -6.835 -1.826 1.00 0.00 O ATOM 391 CB ARG A 29 10.693 -8.873 0.751 1.00 0.00 C ATOM 392 CG ARG A 29 9.714 -9.543 -0.216 1.00 0.00 C ATOM 393 CD ARG A 29 10.048 -11.025 -0.395 1.00 0.00 C ATOM 394 NE ARG A 29 9.455 -11.529 -1.654 1.00 0.00 N ATOM 395 CZ ARG A 29 9.682 -12.752 -2.154 1.00 0.00 C ATOM 396 NH1 ARG A 29 10.489 -13.602 -1.505 1.00 0.00 N ATOM 397 NH2 ARG A 29 9.101 -13.124 -3.303 1.00 0.00 N ATOM 0 H ARG A 29 8.800 -7.039 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 29 11.355 -6.907 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.687 -9.302 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.389 -9.073 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.697 -9.439 0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.749 -9.039 -1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.129 -11.163 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.667 -11.597 0.451 1.00 0.00 H new ATOM 0 HE ARG A 29 8.835 -10.907 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.931 -13.319 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.662 -14.532 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.486 -12.477 -3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.273 -14.054 -3.684 1.00 0.00 H new ATOM 411 N GLY A 30 12.708 -7.153 -0.874 1.00 0.00 N ATOM 412 CA GLY A 30 13.446 -6.916 -2.103 1.00 0.00 C ATOM 413 C GLY A 30 14.498 -5.822 -1.908 1.00 0.00 C ATOM 414 O GLY A 30 15.627 -6.105 -1.512 1.00 0.00 O ATOM 0 H GLY A 30 13.288 -7.365 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.930 -7.838 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.756 -6.625 -2.895 1.00 0.00 H new ATOM 418 N GLY A 31 14.089 -4.595 -2.197 1.00 0.00 N ATOM 419 CA GLY A 31 14.982 -3.457 -2.059 1.00 0.00 C ATOM 420 C GLY A 31 15.693 -3.155 -3.379 1.00 0.00 C ATOM 421 O GLY A 31 15.459 -3.827 -4.383 1.00 0.00 O ATOM 0 H GLY A 31 13.151 -4.364 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.416 -2.583 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.720 -3.661 -1.283 1.00 0.00 H new ATOM 425 N SER A 32 16.548 -2.144 -3.336 1.00 0.00 N ATOM 426 CA SER A 32 17.295 -1.744 -4.517 1.00 0.00 C ATOM 427 C SER A 32 17.917 -2.973 -5.183 1.00 0.00 C ATOM 428 O SER A 32 17.842 -4.079 -4.648 1.00 0.00 O ATOM 429 CB SER A 32 18.381 -0.726 -4.163 1.00 0.00 C ATOM 430 OG SER A 32 18.439 0.341 -5.106 1.00 0.00 O ATOM 0 H SER A 32 16.740 -1.590 -2.502 1.00 0.00 H new ATOM 0 HA SER A 32 16.604 -1.270 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 32 18.189 -0.322 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.348 -1.227 -4.122 1.00 0.00 H new ATOM 0 HG SER A 32 19.143 0.971 -4.845 1.00 0.00 H new ATOM 436 N GLU A 33 18.518 -2.739 -6.340 1.00 0.00 N ATOM 437 CA GLU A 33 19.153 -3.813 -7.085 1.00 0.00 C ATOM 438 C GLU A 33 18.111 -4.848 -7.516 1.00 0.00 C ATOM 439 O GLU A 33 17.035 -4.933 -6.927 1.00 0.00 O ATOM 440 CB GLU A 33 20.266 -4.466 -6.263 1.00 0.00 C ATOM 441 CG GLU A 33 21.641 -4.162 -6.863 1.00 0.00 C ATOM 442 CD GLU A 33 22.667 -5.217 -6.446 1.00 0.00 C ATOM 443 OE1 GLU A 33 22.669 -6.291 -7.085 1.00 0.00 O ATOM 444 OE2 GLU A 33 23.426 -4.926 -5.496 1.00 0.00 O ATOM 0 H GLU A 33 18.579 -1.821 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 33 19.608 -3.389 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 20.225 -4.103 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 33 20.111 -5.544 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.568 -4.130 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 33 21.974 -3.177 -6.537 1.00 0.00 H new ATOM 451 N HIS A 34 18.468 -5.608 -8.541 1.00 0.00 N ATOM 452 CA HIS A 34 17.578 -6.633 -9.058 1.00 0.00 C ATOM 453 C HIS A 34 16.254 -5.995 -9.486 1.00 0.00 C ATOM 454 O HIS A 34 15.464 -5.571 -8.644 1.00 0.00 O ATOM 455 CB HIS A 34 17.391 -7.757 -8.036 1.00 0.00 C ATOM 456 CG HIS A 34 18.527 -8.752 -8.004 1.00 0.00 C ATOM 457 ND1 HIS A 34 18.418 -10.030 -8.524 1.00 0.00 N ATOM 458 CD2 HIS A 34 19.793 -8.643 -7.510 1.00 0.00 C ATOM 459 CE1 HIS A 34 19.573 -10.653 -8.345 1.00 0.00 C ATOM 460 NE2 HIS A 34 20.424 -9.792 -7.716 1.00 0.00 N ATOM 0 H HIS A 34 19.362 -5.534 -9.027 1.00 0.00 H new ATOM 0 HA HIS A 34 18.022 -7.093 -9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 34 17.278 -7.318 -7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 34 16.464 -8.286 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 34 20.211 -7.770 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 34 19.801 -11.665 -8.645 1.00 0.00 H new ATOM 0 HE2 HIS A 34 21.387 -9.998 -7.448 1.00 0.00 H new ATOM 468 N GLY A 35 16.053 -5.947 -10.795 1.00 0.00 N ATOM 469 CA GLY A 35 14.839 -5.368 -11.345 1.00 0.00 C ATOM 470 C GLY A 35 13.632 -6.271 -11.079 1.00 0.00 C ATOM 471 O GLY A 35 13.130 -6.926 -11.991 1.00 0.00 O ATOM 0 H GLY A 35 16.710 -6.300 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.668 -4.386 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.957 -5.219 -12.418 1.00 0.00 H new ATOM 475 N LEU A 36 13.202 -6.275 -9.826 1.00 0.00 N ATOM 476 CA LEU A 36 12.063 -7.086 -9.429 1.00 0.00 C ATOM 477 C LEU A 36 10.899 -6.171 -9.045 1.00 0.00 C ATOM 478 O LEU A 36 9.763 -6.398 -9.458 1.00 0.00 O ATOM 479 CB LEU A 36 12.464 -8.068 -8.325 1.00 0.00 C ATOM 480 CG LEU A 36 13.032 -7.446 -7.048 1.00 0.00 C ATOM 481 CD1 LEU A 36 11.913 -7.081 -6.071 1.00 0.00 C ATOM 482 CD2 LEU A 36 14.075 -8.364 -6.409 1.00 0.00 C ATOM 0 H LEU A 36 13.621 -5.730 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 36 11.723 -7.700 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.589 -8.661 -8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.205 -8.757 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 36 13.540 -6.519 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.344 -6.641 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.240 -6.363 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.356 -7.979 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 36 14.463 -7.899 -5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.614 -9.319 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.893 -8.530 -7.111 1.00 0.00 H new ATOM 494 N GLY A 37 11.222 -5.154 -8.259 1.00 0.00 N ATOM 495 CA GLY A 37 10.218 -4.203 -7.815 1.00 0.00 C ATOM 496 C GLY A 37 9.974 -4.326 -6.309 1.00 0.00 C ATOM 497 O GLY A 37 10.920 -4.427 -5.530 1.00 0.00 O ATOM 0 H GLY A 37 12.165 -4.968 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.541 -3.190 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.286 -4.375 -8.353 1.00 0.00 H new ATOM 501 N ILE A 38 8.700 -4.315 -5.946 1.00 0.00 N ATOM 502 CA ILE A 38 8.320 -4.424 -4.548 1.00 0.00 C ATOM 503 C ILE A 38 7.373 -5.613 -4.372 1.00 0.00 C ATOM 504 O ILE A 38 6.390 -5.741 -5.100 1.00 0.00 O ATOM 505 CB ILE A 38 7.742 -3.099 -4.044 1.00 0.00 C ATOM 506 CG1 ILE A 38 8.787 -1.984 -4.113 1.00 0.00 C ATOM 507 CG2 ILE A 38 7.161 -3.254 -2.638 1.00 0.00 C ATOM 508 CD1 ILE A 38 9.842 -2.152 -3.017 1.00 0.00 C ATOM 0 H ILE A 38 7.918 -4.232 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 38 9.197 -4.619 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 38 6.921 -2.812 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.269 -1.992 -5.091 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.298 -1.016 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.757 -2.298 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.365 -3.999 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.946 -3.575 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.573 -1.346 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.360 -2.119 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.346 -3.111 -3.141 1.00 0.00 H new ATOM 520 N PHE A 39 7.704 -6.453 -3.402 1.00 0.00 N ATOM 521 CA PHE A 39 6.895 -7.628 -3.122 1.00 0.00 C ATOM 522 C PHE A 39 6.512 -7.689 -1.642 1.00 0.00 C ATOM 523 O PHE A 39 7.318 -7.359 -0.774 1.00 0.00 O ATOM 524 CB PHE A 39 7.749 -8.850 -3.466 1.00 0.00 C ATOM 525 CG PHE A 39 7.980 -9.045 -4.966 1.00 0.00 C ATOM 526 CD1 PHE A 39 8.699 -8.128 -5.668 1.00 0.00 C ATOM 527 CD2 PHE A 39 7.467 -10.135 -5.598 1.00 0.00 C ATOM 528 CE1 PHE A 39 8.914 -8.309 -7.060 1.00 0.00 C ATOM 529 CE2 PHE A 39 7.682 -10.316 -6.990 1.00 0.00 C ATOM 530 CZ PHE A 39 8.400 -9.399 -7.691 1.00 0.00 C ATOM 0 H PHE A 39 8.521 -6.344 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 39 5.976 -7.596 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.715 -8.757 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.268 -9.742 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.106 -7.262 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.896 -10.863 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.485 -7.582 -7.617 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.275 -11.182 -7.491 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.563 -9.536 -8.750 1.00 0.00 H new ATOM 540 N VAL A 40 5.280 -8.114 -1.400 1.00 0.00 N ATOM 541 CA VAL A 40 4.780 -8.223 -0.041 1.00 0.00 C ATOM 542 C VAL A 40 5.311 -9.511 0.592 1.00 0.00 C ATOM 543 O VAL A 40 5.425 -10.535 -0.079 1.00 0.00 O ATOM 544 CB VAL A 40 3.252 -8.141 -0.037 1.00 0.00 C ATOM 545 CG1 VAL A 40 2.720 -7.870 1.372 1.00 0.00 C ATOM 546 CG2 VAL A 40 2.758 -7.081 -1.023 1.00 0.00 C ATOM 0 H VAL A 40 4.614 -8.387 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 40 5.138 -7.391 0.565 1.00 0.00 H new ATOM 0 HB VAL A 40 2.864 -9.107 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.632 -7.817 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.028 -8.676 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.121 -6.924 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.669 -7.043 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.161 -6.108 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.092 -7.336 -2.029 1.00 0.00 H new ATOM 556 N SER A 41 5.621 -9.417 1.877 1.00 0.00 N ATOM 557 CA SER A 41 6.138 -10.562 2.608 1.00 0.00 C ATOM 558 C SER A 41 5.299 -10.801 3.865 1.00 0.00 C ATOM 559 O SER A 41 4.873 -11.925 4.126 1.00 0.00 O ATOM 560 CB SER A 41 7.608 -10.360 2.980 1.00 0.00 C ATOM 561 OG SER A 41 8.455 -11.313 2.345 1.00 0.00 O ATOM 0 H SER A 41 5.524 -8.566 2.431 1.00 0.00 H new ATOM 0 HA SER A 41 6.073 -11.438 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.918 -9.354 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.722 -10.437 4.061 1.00 0.00 H new ATOM 0 HG SER A 41 9.385 -11.149 2.607 1.00 0.00 H new ATOM 567 N LYS A 42 5.087 -9.726 4.610 1.00 0.00 N ATOM 568 CA LYS A 42 4.307 -9.805 5.833 1.00 0.00 C ATOM 569 C LYS A 42 3.293 -8.661 5.861 1.00 0.00 C ATOM 570 O LYS A 42 3.395 -7.716 5.080 1.00 0.00 O ATOM 571 CB LYS A 42 5.228 -9.841 7.054 1.00 0.00 C ATOM 572 CG LYS A 42 4.558 -10.560 8.226 1.00 0.00 C ATOM 573 CD LYS A 42 4.321 -9.602 9.395 1.00 0.00 C ATOM 574 CE LYS A 42 3.748 -10.343 10.604 1.00 0.00 C ATOM 575 NZ LYS A 42 4.043 -9.605 11.853 1.00 0.00 N ATOM 0 H LYS A 42 5.442 -8.795 4.390 1.00 0.00 H new ATOM 0 HA LYS A 42 3.739 -10.735 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.159 -10.347 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.488 -8.824 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.608 -10.985 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.184 -11.391 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.259 -9.120 9.671 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.635 -8.812 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.670 -10.459 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.173 -11.345 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.228 -9.671 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.880 -10.019 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.229 -8.606 11.630 1.00 0.00 H new ATOM 589 N VAL A 43 2.336 -8.782 6.770 1.00 0.00 N ATOM 590 CA VAL A 43 1.304 -7.769 6.910 1.00 0.00 C ATOM 591 C VAL A 43 0.936 -7.623 8.388 1.00 0.00 C ATOM 592 O VAL A 43 0.356 -8.532 8.979 1.00 0.00 O ATOM 593 CB VAL A 43 0.104 -8.119 6.027 1.00 0.00 C ATOM 594 CG1 VAL A 43 -1.091 -7.219 6.345 1.00 0.00 C ATOM 595 CG2 VAL A 43 0.473 -8.039 4.544 1.00 0.00 C ATOM 0 H VAL A 43 2.254 -9.566 7.417 1.00 0.00 H new ATOM 0 HA VAL A 43 1.670 -6.801 6.569 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.184 -9.147 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.930 -7.488 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.376 -7.348 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.820 -6.178 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.397 -8.292 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.800 -7.027 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.280 -8.741 4.331 1.00 0.00 H new ATOM 605 N GLU A 44 1.289 -6.472 8.941 1.00 0.00 N ATOM 606 CA GLU A 44 1.003 -6.196 10.339 1.00 0.00 C ATOM 607 C GLU A 44 -0.390 -6.710 10.708 1.00 0.00 C ATOM 608 O GLU A 44 -1.310 -6.660 9.893 1.00 0.00 O ATOM 609 CB GLU A 44 1.133 -4.701 10.639 1.00 0.00 C ATOM 610 CG GLU A 44 1.967 -4.466 11.900 1.00 0.00 C ATOM 611 CD GLU A 44 1.574 -3.153 12.580 1.00 0.00 C ATOM 612 OE1 GLU A 44 0.436 -3.099 13.096 1.00 0.00 O ATOM 613 OE2 GLU A 44 2.420 -2.233 12.570 1.00 0.00 O ATOM 0 H GLU A 44 1.770 -5.720 8.447 1.00 0.00 H new ATOM 0 HA GLU A 44 1.736 -6.722 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.597 -4.195 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.142 -4.265 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.826 -5.295 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.026 -4.443 11.641 1.00 0.00 H new ATOM 620 N GLU A 45 -0.501 -7.193 11.937 1.00 0.00 N ATOM 621 CA GLU A 45 -1.766 -7.716 12.423 1.00 0.00 C ATOM 622 C GLU A 45 -2.764 -6.577 12.639 1.00 0.00 C ATOM 623 O GLU A 45 -2.379 -5.475 13.026 1.00 0.00 O ATOM 624 CB GLU A 45 -1.568 -8.522 13.709 1.00 0.00 C ATOM 625 CG GLU A 45 -1.026 -9.919 13.402 1.00 0.00 C ATOM 626 CD GLU A 45 0.290 -10.172 14.142 1.00 0.00 C ATOM 627 OE1 GLU A 45 0.211 -10.470 15.353 1.00 0.00 O ATOM 628 OE2 GLU A 45 1.343 -10.060 13.479 1.00 0.00 O ATOM 0 H GLU A 45 0.264 -7.233 12.610 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.172 -8.390 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.877 -7.997 14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.516 -8.604 14.240 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.761 -10.670 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.870 -10.024 12.328 1.00 0.00 H new ATOM 635 N GLY A 46 -4.027 -6.882 12.378 1.00 0.00 N ATOM 636 CA GLY A 46 -5.083 -5.897 12.538 1.00 0.00 C ATOM 637 C GLY A 46 -4.662 -4.543 11.964 1.00 0.00 C ATOM 638 O GLY A 46 -4.942 -3.500 12.554 1.00 0.00 O ATOM 0 H GLY A 46 -4.343 -7.797 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.987 -6.243 12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.326 -5.788 13.595 1.00 0.00 H new ATOM 642 N SER A 47 -3.996 -4.602 10.821 1.00 0.00 N ATOM 643 CA SER A 47 -3.533 -3.393 10.161 1.00 0.00 C ATOM 644 C SER A 47 -4.500 -3.006 9.040 1.00 0.00 C ATOM 645 O SER A 47 -5.301 -3.827 8.595 1.00 0.00 O ATOM 646 CB SER A 47 -2.120 -3.577 9.603 1.00 0.00 C ATOM 647 OG SER A 47 -2.111 -3.632 8.179 1.00 0.00 O ATOM 0 H SER A 47 -3.766 -5.468 10.334 1.00 0.00 H new ATOM 0 HA SER A 47 -3.502 -2.591 10.898 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.488 -2.754 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.689 -4.494 10.004 1.00 0.00 H new ATOM 0 HG SER A 47 -2.149 -4.567 7.887 1.00 0.00 H new ATOM 653 N SER A 48 -4.393 -1.756 8.615 1.00 0.00 N ATOM 654 CA SER A 48 -5.248 -1.250 7.555 1.00 0.00 C ATOM 655 C SER A 48 -5.082 -2.104 6.296 1.00 0.00 C ATOM 656 O SER A 48 -6.030 -2.282 5.533 1.00 0.00 O ATOM 657 CB SER A 48 -4.935 0.216 7.247 1.00 0.00 C ATOM 658 OG SER A 48 -3.796 0.352 6.402 1.00 0.00 O ATOM 0 H SER A 48 -3.727 -1.078 8.986 1.00 0.00 H new ATOM 0 HA SER A 48 -6.283 -1.309 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.799 0.678 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.761 0.753 8.179 1.00 0.00 H new ATOM 0 HG SER A 48 -3.533 1.295 6.356 1.00 0.00 H new ATOM 664 N ALA A 49 -3.870 -2.609 6.119 1.00 0.00 N ATOM 665 CA ALA A 49 -3.567 -3.440 4.966 1.00 0.00 C ATOM 666 C ALA A 49 -4.454 -4.687 4.994 1.00 0.00 C ATOM 667 O ALA A 49 -5.281 -4.885 4.106 1.00 0.00 O ATOM 668 CB ALA A 49 -2.077 -3.785 4.962 1.00 0.00 C ATOM 0 H ALA A 49 -3.086 -2.459 6.754 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.780 -2.904 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.850 -4.408 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.491 -2.867 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.826 -4.326 5.875 1.00 0.00 H new ATOM 674 N GLU A 50 -4.251 -5.495 6.024 1.00 0.00 N ATOM 675 CA GLU A 50 -5.021 -6.717 6.180 1.00 0.00 C ATOM 676 C GLU A 50 -6.497 -6.457 5.873 1.00 0.00 C ATOM 677 O GLU A 50 -7.177 -7.310 5.304 1.00 0.00 O ATOM 678 CB GLU A 50 -4.848 -7.300 7.584 1.00 0.00 C ATOM 679 CG GLU A 50 -4.482 -8.784 7.521 1.00 0.00 C ATOM 680 CD GLU A 50 -5.190 -9.571 8.625 1.00 0.00 C ATOM 681 OE1 GLU A 50 -4.961 -9.225 9.804 1.00 0.00 O ATOM 682 OE2 GLU A 50 -5.945 -10.500 8.266 1.00 0.00 O ATOM 0 H GLU A 50 -3.564 -5.327 6.759 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.645 -7.452 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.070 -6.752 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.771 -7.173 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.757 -9.189 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.403 -8.901 7.621 1.00 0.00 H new ATOM 689 N ARG A 51 -6.950 -5.274 6.263 1.00 0.00 N ATOM 690 CA ARG A 51 -8.333 -4.891 6.037 1.00 0.00 C ATOM 691 C ARG A 51 -8.519 -4.397 4.600 1.00 0.00 C ATOM 692 O ARG A 51 -9.561 -4.629 3.990 1.00 0.00 O ATOM 693 CB ARG A 51 -8.766 -3.790 7.007 1.00 0.00 C ATOM 694 CG ARG A 51 -9.210 -4.382 8.346 1.00 0.00 C ATOM 695 CD ARG A 51 -9.967 -3.346 9.180 1.00 0.00 C ATOM 696 NE ARG A 51 -10.869 -4.027 10.135 1.00 0.00 N ATOM 697 CZ ARG A 51 -11.803 -3.400 10.863 1.00 0.00 C ATOM 698 NH1 ARG A 51 -11.964 -2.075 10.750 1.00 0.00 N ATOM 699 NH2 ARG A 51 -12.577 -4.099 11.706 1.00 0.00 N ATOM 0 H ARG A 51 -6.383 -4.569 6.734 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.952 -5.772 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.940 -3.097 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.583 -3.216 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.847 -5.249 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.339 -4.733 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.261 -2.716 9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.543 -2.691 8.526 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.774 -5.036 10.246 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.375 -1.543 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.675 -1.599 11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.455 -5.108 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.288 -3.622 12.260 1.00 0.00 H new ATOM 713 N ALA A 52 -7.491 -3.725 4.102 1.00 0.00 N ATOM 714 CA ALA A 52 -7.528 -3.196 2.749 1.00 0.00 C ATOM 715 C ALA A 52 -7.603 -4.357 1.755 1.00 0.00 C ATOM 716 O ALA A 52 -8.033 -4.177 0.617 1.00 0.00 O ATOM 717 CB ALA A 52 -6.306 -2.306 2.516 1.00 0.00 C ATOM 0 H ALA A 52 -6.628 -3.535 4.611 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.414 -2.578 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.333 -1.909 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.315 -1.481 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.397 -2.893 2.652 1.00 0.00 H new ATOM 723 N GLY A 53 -7.178 -5.522 2.221 1.00 0.00 N ATOM 724 CA GLY A 53 -7.192 -6.712 1.387 1.00 0.00 C ATOM 725 C GLY A 53 -5.771 -7.220 1.133 1.00 0.00 C ATOM 726 O GLY A 53 -5.585 -8.295 0.565 1.00 0.00 O ATOM 0 H GLY A 53 -6.822 -5.667 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.780 -7.492 1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.678 -6.489 0.437 1.00 0.00 H new ATOM 730 N LEU A 54 -4.806 -6.422 1.566 1.00 0.00 N ATOM 731 CA LEU A 54 -3.408 -6.777 1.392 1.00 0.00 C ATOM 732 C LEU A 54 -3.062 -7.941 2.324 1.00 0.00 C ATOM 733 O LEU A 54 -3.325 -7.879 3.524 1.00 0.00 O ATOM 734 CB LEU A 54 -2.515 -5.550 1.584 1.00 0.00 C ATOM 735 CG LEU A 54 -1.093 -5.661 1.030 1.00 0.00 C ATOM 736 CD1 LEU A 54 -1.103 -5.725 -0.498 1.00 0.00 C ATOM 737 CD2 LEU A 54 -0.211 -4.524 1.551 1.00 0.00 C ATOM 0 H LEU A 54 -4.965 -5.531 2.037 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.226 -7.118 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.001 -4.695 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.452 -5.335 2.651 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.659 -6.595 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.080 -5.804 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.673 -6.596 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.563 -4.821 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.794 -4.627 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.632 -3.567 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.166 -4.568 2.639 1.00 0.00 H new ATOM 749 N CYS A 55 -2.478 -8.974 1.736 1.00 0.00 N ATOM 750 CA CYS A 55 -2.094 -10.150 2.498 1.00 0.00 C ATOM 751 C CYS A 55 -0.684 -10.562 2.069 1.00 0.00 C ATOM 752 O CYS A 55 -0.037 -9.858 1.296 1.00 0.00 O ATOM 753 CB CYS A 55 -3.099 -11.291 2.325 1.00 0.00 C ATOM 754 SG CYS A 55 -4.113 -11.468 3.838 1.00 0.00 S ATOM 0 H CYS A 55 -2.261 -9.021 0.740 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.094 -9.912 3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.742 -11.093 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.572 -12.223 2.120 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.964 -12.438 3.679 1.00 0.00 H new ATOM 760 N VAL A 56 -0.250 -11.700 2.590 1.00 0.00 N ATOM 761 CA VAL A 56 1.071 -12.214 2.270 1.00 0.00 C ATOM 762 C VAL A 56 0.989 -13.064 1.001 1.00 0.00 C ATOM 763 O VAL A 56 0.046 -13.833 0.824 1.00 0.00 O ATOM 764 CB VAL A 56 1.638 -12.979 3.467 1.00 0.00 C ATOM 765 CG1 VAL A 56 2.712 -13.975 3.022 1.00 0.00 C ATOM 766 CG2 VAL A 56 2.187 -12.018 4.523 1.00 0.00 C ATOM 0 H VAL A 56 -0.790 -12.281 3.232 1.00 0.00 H new ATOM 0 HA VAL A 56 1.761 -11.395 2.068 1.00 0.00 H new ATOM 0 HB VAL A 56 0.823 -13.544 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.099 -14.506 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.278 -14.691 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.525 -13.439 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.584 -12.588 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.982 -11.414 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.387 -11.366 4.873 1.00 0.00 H new ATOM 776 N GLY A 57 1.991 -12.897 0.149 1.00 0.00 N ATOM 777 CA GLY A 57 2.044 -13.639 -1.098 1.00 0.00 C ATOM 778 C GLY A 57 1.519 -12.795 -2.262 1.00 0.00 C ATOM 779 O GLY A 57 0.901 -13.322 -3.186 1.00 0.00 O ATOM 0 H GLY A 57 2.772 -12.258 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.071 -13.945 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.452 -14.550 -1.009 1.00 0.00 H new ATOM 783 N ASP A 58 1.784 -11.500 -2.178 1.00 0.00 N ATOM 784 CA ASP A 58 1.345 -10.578 -3.212 1.00 0.00 C ATOM 785 C ASP A 58 2.529 -9.717 -3.656 1.00 0.00 C ATOM 786 O ASP A 58 3.443 -9.460 -2.874 1.00 0.00 O ATOM 787 CB ASP A 58 0.251 -9.645 -2.690 1.00 0.00 C ATOM 788 CG ASP A 58 -1.176 -10.177 -2.834 1.00 0.00 C ATOM 789 OD1 ASP A 58 -1.360 -11.090 -3.669 1.00 0.00 O ATOM 790 OD2 ASP A 58 -2.051 -9.661 -2.106 1.00 0.00 O ATOM 0 H ASP A 58 2.297 -11.067 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 58 0.952 -11.164 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.442 -9.440 -1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.323 -8.694 -3.218 1.00 0.00 H new ATOM 795 N LYS A 59 2.475 -9.294 -4.911 1.00 0.00 N ATOM 796 CA LYS A 59 3.531 -8.467 -5.468 1.00 0.00 C ATOM 797 C LYS A 59 2.918 -7.200 -6.069 1.00 0.00 C ATOM 798 O LYS A 59 2.222 -7.264 -7.082 1.00 0.00 O ATOM 799 CB LYS A 59 4.375 -9.271 -6.459 1.00 0.00 C ATOM 800 CG LYS A 59 5.358 -8.366 -7.203 1.00 0.00 C ATOM 801 CD LYS A 59 5.482 -8.780 -8.671 1.00 0.00 C ATOM 802 CE LYS A 59 6.290 -7.752 -9.465 1.00 0.00 C ATOM 803 NZ LYS A 59 6.969 -8.398 -10.610 1.00 0.00 N ATOM 0 H LYS A 59 1.716 -9.509 -5.557 1.00 0.00 H new ATOM 0 HA LYS A 59 4.218 -8.148 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.923 -10.049 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.723 -9.772 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.023 -7.331 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.336 -8.414 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.963 -9.756 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.489 -8.883 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.631 -6.962 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.028 -7.281 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.988 -8.468 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.578 -9.351 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.819 -7.830 -11.468 1.00 0.00 H new ATOM 817 N ILE A 60 3.197 -6.080 -5.420 1.00 0.00 N ATOM 818 CA ILE A 60 2.682 -4.801 -5.878 1.00 0.00 C ATOM 819 C ILE A 60 3.408 -4.393 -7.161 1.00 0.00 C ATOM 820 O ILE A 60 4.598 -4.084 -7.134 1.00 0.00 O ATOM 821 CB ILE A 60 2.771 -3.757 -4.763 1.00 0.00 C ATOM 822 CG1 ILE A 60 1.958 -4.189 -3.541 1.00 0.00 C ATOM 823 CG2 ILE A 60 2.353 -2.376 -5.270 1.00 0.00 C ATOM 824 CD1 ILE A 60 2.680 -3.820 -2.243 1.00 0.00 C ATOM 0 H ILE A 60 3.773 -6.031 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 60 1.623 -4.883 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 60 3.812 -3.683 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.978 -3.712 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.789 -5.265 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.425 -1.653 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.010 -2.073 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.325 -2.416 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.081 -4.138 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.649 -4.318 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.825 -2.741 -2.202 1.00 0.00 H new ATOM 836 N THR A 61 2.661 -4.406 -8.255 1.00 0.00 N ATOM 837 CA THR A 61 3.218 -4.041 -9.547 1.00 0.00 C ATOM 838 C THR A 61 3.061 -2.539 -9.791 1.00 0.00 C ATOM 839 O THR A 61 3.819 -1.948 -10.558 1.00 0.00 O ATOM 840 CB THR A 61 2.543 -4.904 -10.614 1.00 0.00 C ATOM 841 OG1 THR A 61 1.197 -4.438 -10.637 1.00 0.00 O ATOM 842 CG2 THR A 61 2.422 -6.370 -10.192 1.00 0.00 C ATOM 0 H THR A 61 1.674 -4.664 -8.274 1.00 0.00 H new ATOM 0 HA THR A 61 4.290 -4.233 -9.584 1.00 0.00 H new ATOM 0 HB THR A 61 3.109 -4.839 -11.544 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.785 -4.584 -9.760 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.936 -6.938 -10.985 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.416 -6.779 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.828 -6.438 -9.281 1.00 0.00 H new ATOM 850 N GLU A 62 2.071 -1.964 -9.124 1.00 0.00 N ATOM 851 CA GLU A 62 1.804 -0.542 -9.258 1.00 0.00 C ATOM 852 C GLU A 62 1.037 -0.028 -8.038 1.00 0.00 C ATOM 853 O GLU A 62 0.354 -0.795 -7.362 1.00 0.00 O ATOM 854 CB GLU A 62 1.040 -0.248 -10.550 1.00 0.00 C ATOM 855 CG GLU A 62 0.487 1.179 -10.548 1.00 0.00 C ATOM 856 CD GLU A 62 -0.200 1.503 -11.876 1.00 0.00 C ATOM 857 OE1 GLU A 62 0.538 1.680 -12.869 1.00 0.00 O ATOM 858 OE2 GLU A 62 -1.448 1.567 -11.868 1.00 0.00 O ATOM 0 H GLU A 62 1.444 -2.457 -8.489 1.00 0.00 H new ATOM 0 HA GLU A 62 2.757 -0.016 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.700 -0.385 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.221 -0.959 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.223 1.297 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.297 1.886 -10.372 1.00 0.00 H new ATOM 865 N VAL A 63 1.176 1.267 -7.794 1.00 0.00 N ATOM 866 CA VAL A 63 0.505 1.892 -6.668 1.00 0.00 C ATOM 867 C VAL A 63 0.377 3.395 -6.926 1.00 0.00 C ATOM 868 O VAL A 63 1.296 4.018 -7.455 1.00 0.00 O ATOM 869 CB VAL A 63 1.250 1.570 -5.370 1.00 0.00 C ATOM 870 CG1 VAL A 63 2.761 1.722 -5.553 1.00 0.00 C ATOM 871 CG2 VAL A 63 0.746 2.442 -4.218 1.00 0.00 C ATOM 0 H VAL A 63 1.744 1.900 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.504 1.494 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 63 1.047 0.530 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.266 1.487 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.104 1.040 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.991 2.747 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.292 2.193 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.905 3.493 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.318 2.262 -4.064 1.00 0.00 H new ATOM 881 N ASN A 64 -0.771 3.933 -6.540 1.00 0.00 N ATOM 882 CA ASN A 64 -1.031 5.351 -6.724 1.00 0.00 C ATOM 883 C ASN A 64 -0.881 5.705 -8.205 1.00 0.00 C ATOM 884 O ASN A 64 -0.717 6.873 -8.554 1.00 0.00 O ATOM 885 CB ASN A 64 -0.035 6.201 -5.932 1.00 0.00 C ATOM 886 CG ASN A 64 -0.754 7.304 -5.153 1.00 0.00 C ATOM 887 OD1 ASN A 64 -1.048 8.371 -5.666 1.00 0.00 O ATOM 888 ND2 ASN A 64 -1.019 6.989 -3.888 1.00 0.00 N ATOM 0 H ASN A 64 -1.531 3.413 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.042 5.557 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.522 5.567 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.691 6.646 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.496 7.659 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.745 6.077 -3.521 1.00 0.00 H new ATOM 895 N GLY A 65 -0.944 4.675 -9.036 1.00 0.00 N ATOM 896 CA GLY A 65 -0.818 4.863 -10.471 1.00 0.00 C ATOM 897 C GLY A 65 0.631 4.674 -10.923 1.00 0.00 C ATOM 898 O GLY A 65 0.884 4.150 -12.007 1.00 0.00 O ATOM 0 H GLY A 65 -1.081 3.708 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.461 4.154 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.160 5.862 -10.742 1.00 0.00 H new ATOM 902 N LEU A 66 1.546 5.110 -10.070 1.00 0.00 N ATOM 903 CA LEU A 66 2.964 4.995 -10.368 1.00 0.00 C ATOM 904 C LEU A 66 3.351 3.516 -10.420 1.00 0.00 C ATOM 905 O LEU A 66 3.133 2.779 -9.460 1.00 0.00 O ATOM 906 CB LEU A 66 3.789 5.812 -9.372 1.00 0.00 C ATOM 907 CG LEU A 66 3.928 7.304 -9.681 1.00 0.00 C ATOM 908 CD1 LEU A 66 5.231 7.590 -10.429 1.00 0.00 C ATOM 909 CD2 LEU A 66 2.705 7.823 -10.441 1.00 0.00 C ATOM 0 H LEU A 66 1.333 5.544 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 66 3.183 5.417 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.339 5.706 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.787 5.378 -9.316 1.00 0.00 H new ATOM 0 HG LEU A 66 3.974 7.845 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.305 8.658 -10.636 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.078 7.280 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.240 7.037 -11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.829 8.886 -10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.603 7.280 -11.380 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.810 7.673 -9.836 1.00 0.00 H new ATOM 921 N SER A 67 3.919 3.125 -11.552 1.00 0.00 N ATOM 922 CA SER A 67 4.339 1.747 -11.742 1.00 0.00 C ATOM 923 C SER A 67 5.650 1.492 -10.995 1.00 0.00 C ATOM 924 O SER A 67 6.591 2.278 -11.099 1.00 0.00 O ATOM 925 CB SER A 67 4.502 1.421 -13.227 1.00 0.00 C ATOM 926 OG SER A 67 4.659 2.596 -14.018 1.00 0.00 O ATOM 0 H SER A 67 4.098 3.739 -12.347 1.00 0.00 H new ATOM 0 HA SER A 67 3.565 1.095 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.369 0.774 -13.363 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.631 0.864 -13.574 1.00 0.00 H new ATOM 0 HG SER A 67 4.762 2.345 -14.960 1.00 0.00 H new ATOM 932 N LEU A 68 5.671 0.390 -10.260 1.00 0.00 N ATOM 933 CA LEU A 68 6.851 0.022 -9.497 1.00 0.00 C ATOM 934 C LEU A 68 7.453 -1.257 -10.083 1.00 0.00 C ATOM 935 O LEU A 68 8.035 -2.062 -9.357 1.00 0.00 O ATOM 936 CB LEU A 68 6.515 -0.083 -8.008 1.00 0.00 C ATOM 937 CG LEU A 68 5.622 1.024 -7.442 1.00 0.00 C ATOM 938 CD1 LEU A 68 5.566 0.955 -5.915 1.00 0.00 C ATOM 939 CD2 LEU A 68 6.073 2.399 -7.938 1.00 0.00 C ATOM 0 H LEU A 68 4.889 -0.260 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 68 7.612 0.798 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.027 -1.042 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.448 -0.093 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 68 4.608 0.867 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.925 1.752 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.163 -0.010 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.570 1.074 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.422 3.168 -7.521 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.100 2.582 -7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.019 2.429 -9.026 1.00 0.00 H new ATOM 951 N GLU A 69 7.293 -1.403 -11.390 1.00 0.00 N ATOM 952 CA GLU A 69 7.814 -2.570 -12.081 1.00 0.00 C ATOM 953 C GLU A 69 9.327 -2.443 -12.272 1.00 0.00 C ATOM 954 O GLU A 69 9.995 -3.412 -12.627 1.00 0.00 O ATOM 955 CB GLU A 69 7.107 -2.773 -13.423 1.00 0.00 C ATOM 956 CG GLU A 69 5.882 -3.676 -13.267 1.00 0.00 C ATOM 957 CD GLU A 69 5.574 -4.413 -14.572 1.00 0.00 C ATOM 958 OE1 GLU A 69 6.470 -5.154 -15.030 1.00 0.00 O ATOM 959 OE2 GLU A 69 4.449 -4.219 -15.081 1.00 0.00 O ATOM 0 H GLU A 69 6.810 -0.733 -11.988 1.00 0.00 H new ATOM 0 HA GLU A 69 7.618 -3.449 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.802 -1.808 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.800 -3.214 -14.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.058 -4.398 -12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.020 -3.078 -12.971 1.00 0.00 H new ATOM 966 N SER A 70 9.822 -1.239 -12.028 1.00 0.00 N ATOM 967 CA SER A 70 11.244 -0.972 -12.169 1.00 0.00 C ATOM 968 C SER A 70 11.660 0.159 -11.226 1.00 0.00 C ATOM 969 O SER A 70 12.589 0.909 -11.522 1.00 0.00 O ATOM 970 CB SER A 70 11.597 -0.615 -13.614 1.00 0.00 C ATOM 971 OG SER A 70 12.994 -0.393 -13.783 1.00 0.00 O ATOM 0 H SER A 70 9.264 -0.437 -11.734 1.00 0.00 H new ATOM 0 HA SER A 70 11.790 -1.877 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.275 -1.420 -14.275 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.049 0.280 -13.911 1.00 0.00 H new ATOM 0 HG SER A 70 13.332 0.147 -13.038 1.00 0.00 H new ATOM 977 N THR A 71 10.952 0.247 -10.110 1.00 0.00 N ATOM 978 CA THR A 71 11.236 1.274 -9.122 1.00 0.00 C ATOM 979 C THR A 71 11.936 0.665 -7.905 1.00 0.00 C ATOM 980 O THR A 71 11.861 -0.542 -7.682 1.00 0.00 O ATOM 981 CB THR A 71 9.920 1.976 -8.778 1.00 0.00 C ATOM 982 OG1 THR A 71 9.592 2.699 -9.961 1.00 0.00 O ATOM 983 CG2 THR A 71 10.097 3.062 -7.715 1.00 0.00 C ATOM 0 H THR A 71 10.182 -0.376 -9.868 1.00 0.00 H new ATOM 0 HA THR A 71 11.927 2.020 -9.515 1.00 0.00 H new ATOM 0 HB THR A 71 9.197 1.239 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.635 2.603 -10.148 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.134 3.529 -7.508 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.488 2.616 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.795 3.816 -8.078 1.00 0.00 H new ATOM 991 N THR A 72 12.600 1.528 -7.151 1.00 0.00 N ATOM 992 CA THR A 72 13.313 1.091 -5.963 1.00 0.00 C ATOM 993 C THR A 72 12.339 0.885 -4.802 1.00 0.00 C ATOM 994 O THR A 72 11.127 0.832 -5.006 1.00 0.00 O ATOM 995 CB THR A 72 14.408 2.117 -5.664 1.00 0.00 C ATOM 996 OG1 THR A 72 13.690 3.304 -5.337 1.00 0.00 O ATOM 997 CG2 THR A 72 15.210 2.497 -6.909 1.00 0.00 C ATOM 0 H THR A 72 12.659 2.529 -7.340 1.00 0.00 H new ATOM 0 HA THR A 72 13.789 0.123 -6.121 1.00 0.00 H new ATOM 0 HB THR A 72 15.083 1.718 -4.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.323 4.022 -5.127 1.00 0.00 H new ATOM 0 HG21 THR A 72 15.973 3.227 -6.641 1.00 0.00 H new ATOM 0 HG22 THR A 72 15.687 1.607 -7.320 1.00 0.00 H new ATOM 0 HG23 THR A 72 14.542 2.928 -7.655 1.00 0.00 H new ATOM 1005 N MET A 73 12.904 0.775 -3.609 1.00 0.00 N ATOM 1006 CA MET A 73 12.101 0.577 -2.415 1.00 0.00 C ATOM 1007 C MET A 73 11.879 1.899 -1.677 1.00 0.00 C ATOM 1008 O MET A 73 10.744 2.256 -1.364 1.00 0.00 O ATOM 1009 CB MET A 73 12.803 -0.415 -1.485 1.00 0.00 C ATOM 1010 CG MET A 73 12.096 -0.492 -0.131 1.00 0.00 C ATOM 1011 SD MET A 73 12.758 -1.844 0.828 1.00 0.00 S ATOM 1012 CE MET A 73 11.524 -3.091 0.497 1.00 0.00 C ATOM 0 H MET A 73 13.910 0.819 -3.444 1.00 0.00 H new ATOM 0 HA MET A 73 11.130 0.183 -2.715 1.00 0.00 H new ATOM 0 HB2 MET A 73 12.820 -1.402 -1.947 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.840 -0.112 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 73 12.225 0.446 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.025 -0.630 -0.278 1.00 0.00 H new ATOM 0 HE1 MET A 73 11.151 -3.493 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.699 -2.648 -0.061 1.00 0.00 H new ATOM 0 HE3 MET A 73 11.968 -3.895 -0.090 1.00 0.00 H new ATOM 1022 N GLY A 74 12.980 2.589 -1.422 1.00 0.00 N ATOM 1023 CA GLY A 74 12.920 3.864 -0.727 1.00 0.00 C ATOM 1024 C GLY A 74 11.818 4.753 -1.307 1.00 0.00 C ATOM 1025 O GLY A 74 10.879 5.122 -0.603 1.00 0.00 O ATOM 0 H GLY A 74 13.919 2.290 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.736 3.696 0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.881 4.371 -0.807 1.00 0.00 H new ATOM 1029 N SER A 75 11.968 5.071 -2.584 1.00 0.00 N ATOM 1030 CA SER A 75 10.997 5.909 -3.266 1.00 0.00 C ATOM 1031 C SER A 75 9.583 5.382 -3.016 1.00 0.00 C ATOM 1032 O SER A 75 8.723 6.111 -2.524 1.00 0.00 O ATOM 1033 CB SER A 75 11.282 5.972 -4.768 1.00 0.00 C ATOM 1034 OG SER A 75 11.581 7.296 -5.200 1.00 0.00 O ATOM 0 H SER A 75 12.748 4.763 -3.165 1.00 0.00 H new ATOM 0 HA SER A 75 11.077 6.920 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.119 5.315 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.418 5.598 -5.317 1.00 0.00 H new ATOM 0 HG SER A 75 11.759 7.293 -6.164 1.00 0.00 H new ATOM 1040 N ALA A 76 9.386 4.119 -3.364 1.00 0.00 N ATOM 1041 CA ALA A 76 8.091 3.486 -3.183 1.00 0.00 C ATOM 1042 C ALA A 76 7.617 3.705 -1.745 1.00 0.00 C ATOM 1043 O ALA A 76 6.498 4.162 -1.519 1.00 0.00 O ATOM 1044 CB ALA A 76 8.193 2.002 -3.544 1.00 0.00 C ATOM 0 H ALA A 76 10.102 3.517 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 76 7.350 3.933 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.221 1.527 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.504 1.901 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.926 1.520 -2.897 1.00 0.00 H new ATOM 1050 N VAL A 77 8.493 3.369 -0.810 1.00 0.00 N ATOM 1051 CA VAL A 77 8.178 3.523 0.600 1.00 0.00 C ATOM 1052 C VAL A 77 7.611 4.923 0.841 1.00 0.00 C ATOM 1053 O VAL A 77 6.495 5.068 1.338 1.00 0.00 O ATOM 1054 CB VAL A 77 9.417 3.226 1.448 1.00 0.00 C ATOM 1055 CG1 VAL A 77 9.217 3.692 2.892 1.00 0.00 C ATOM 1056 CG2 VAL A 77 9.773 1.739 1.397 1.00 0.00 C ATOM 0 H VAL A 77 9.421 2.991 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 77 7.414 2.806 0.902 1.00 0.00 H new ATOM 0 HB VAL A 77 10.253 3.785 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.112 3.469 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.034 4.766 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.363 3.173 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.657 1.555 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.939 1.152 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.978 1.449 0.366 1.00 0.00 H new ATOM 1066 N LYS A 78 8.405 5.920 0.478 1.00 0.00 N ATOM 1067 CA LYS A 78 7.996 7.303 0.649 1.00 0.00 C ATOM 1068 C LYS A 78 6.530 7.452 0.237 1.00 0.00 C ATOM 1069 O LYS A 78 5.665 7.681 1.081 1.00 0.00 O ATOM 1070 CB LYS A 78 8.944 8.239 -0.104 1.00 0.00 C ATOM 1071 CG LYS A 78 9.435 9.369 0.804 1.00 0.00 C ATOM 1072 CD LYS A 78 10.024 10.516 -0.019 1.00 0.00 C ATOM 1073 CE LYS A 78 11.075 11.285 0.785 1.00 0.00 C ATOM 1074 NZ LYS A 78 12.323 11.429 0.003 1.00 0.00 N ATOM 0 H LYS A 78 9.330 5.797 0.066 1.00 0.00 H new ATOM 0 HA LYS A 78 8.064 7.593 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.797 7.673 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.433 8.660 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.608 9.739 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.188 8.986 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.475 10.121 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.228 11.194 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.690 12.269 1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.282 10.761 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.025 11.953 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.698 10.487 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.124 11.948 -0.876 1.00 0.00 H new ATOM 1088 N VAL A 79 6.296 7.314 -1.059 1.00 0.00 N ATOM 1089 CA VAL A 79 4.949 7.430 -1.593 1.00 0.00 C ATOM 1090 C VAL A 79 4.017 6.495 -0.820 1.00 0.00 C ATOM 1091 O VAL A 79 2.872 6.847 -0.541 1.00 0.00 O ATOM 1092 CB VAL A 79 4.958 7.155 -3.098 1.00 0.00 C ATOM 1093 CG1 VAL A 79 3.583 7.427 -3.713 1.00 0.00 C ATOM 1094 CG2 VAL A 79 6.044 7.973 -3.799 1.00 0.00 C ATOM 0 H VAL A 79 7.016 7.123 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 79 4.572 8.445 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 79 5.188 6.100 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.617 7.224 -4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.841 6.781 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.311 8.470 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.028 7.758 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.859 9.035 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.019 7.709 -3.390 1.00 0.00 H new ATOM 1104 N LEU A 80 4.542 5.323 -0.495 1.00 0.00 N ATOM 1105 CA LEU A 80 3.771 4.335 0.240 1.00 0.00 C ATOM 1106 C LEU A 80 3.404 4.901 1.614 1.00 0.00 C ATOM 1107 O LEU A 80 2.398 4.507 2.202 1.00 0.00 O ATOM 1108 CB LEU A 80 4.525 3.005 0.304 1.00 0.00 C ATOM 1109 CG LEU A 80 4.164 1.977 -0.770 1.00 0.00 C ATOM 1110 CD1 LEU A 80 4.818 0.626 -0.477 1.00 0.00 C ATOM 1111 CD2 LEU A 80 2.647 1.858 -0.927 1.00 0.00 C ATOM 0 H LEU A 80 5.493 5.035 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 80 2.836 4.119 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.593 3.212 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.349 2.557 1.282 1.00 0.00 H new ATOM 0 HG LEU A 80 4.560 2.326 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.545 -0.087 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.901 0.743 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.474 0.257 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.418 1.121 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.207 1.544 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.234 2.825 -1.216 1.00 0.00 H new ATOM 1123 N THR A 81 4.240 5.815 2.084 1.00 0.00 N ATOM 1124 CA THR A 81 4.016 6.438 3.377 1.00 0.00 C ATOM 1125 C THR A 81 3.615 7.904 3.200 1.00 0.00 C ATOM 1126 O THR A 81 3.486 8.639 4.179 1.00 0.00 O ATOM 1127 CB THR A 81 5.281 6.251 4.218 1.00 0.00 C ATOM 1128 OG1 THR A 81 4.969 6.880 5.458 1.00 0.00 O ATOM 1129 CG2 THR A 81 6.466 7.056 3.679 1.00 0.00 C ATOM 0 H THR A 81 5.073 6.139 1.593 1.00 0.00 H new ATOM 0 HA THR A 81 3.186 5.968 3.904 1.00 0.00 H new ATOM 0 HB THR A 81 5.544 5.194 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.194 7.469 5.340 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.338 6.888 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.689 6.737 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.216 8.117 3.680 1.00 0.00 H new ATOM 1137 N SER A 82 3.430 8.286 1.945 1.00 0.00 N ATOM 1138 CA SER A 82 3.046 9.651 1.628 1.00 0.00 C ATOM 1139 C SER A 82 1.746 9.655 0.822 1.00 0.00 C ATOM 1140 O SER A 82 1.766 9.832 -0.396 1.00 0.00 O ATOM 1141 CB SER A 82 4.154 10.368 0.853 1.00 0.00 C ATOM 1142 OG SER A 82 5.155 10.897 1.718 1.00 0.00 O ATOM 0 H SER A 82 3.539 7.674 1.136 1.00 0.00 H new ATOM 0 HA SER A 82 2.887 10.188 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.613 9.673 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.720 11.176 0.264 1.00 0.00 H new ATOM 0 HG SER A 82 5.845 11.345 1.185 1.00 0.00 H new ATOM 1148 N SER A 83 0.645 9.459 1.533 1.00 0.00 N ATOM 1149 CA SER A 83 -0.662 9.438 0.899 1.00 0.00 C ATOM 1150 C SER A 83 -1.739 9.102 1.932 1.00 0.00 C ATOM 1151 O SER A 83 -1.457 8.456 2.940 1.00 0.00 O ATOM 1152 CB SER A 83 -0.699 8.432 -0.253 1.00 0.00 C ATOM 1153 OG SER A 83 -2.016 8.257 -0.767 1.00 0.00 O ATOM 0 H SER A 83 0.632 9.313 2.542 1.00 0.00 H new ATOM 0 HA SER A 83 -0.859 10.428 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.040 8.772 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.314 7.472 0.091 1.00 0.00 H new ATOM 0 HG SER A 83 -2.066 7.411 -1.259 1.00 0.00 H new ATOM 1159 N SER A 84 -2.951 9.555 1.645 1.00 0.00 N ATOM 1160 CA SER A 84 -4.072 9.310 2.537 1.00 0.00 C ATOM 1161 C SER A 84 -4.917 8.150 2.008 1.00 0.00 C ATOM 1162 O SER A 84 -5.775 7.628 2.719 1.00 0.00 O ATOM 1163 CB SER A 84 -4.933 10.565 2.696 1.00 0.00 C ATOM 1164 OG SER A 84 -5.045 10.966 4.058 1.00 0.00 O ATOM 0 H SER A 84 -3.181 10.090 0.808 1.00 0.00 H new ATOM 0 HA SER A 84 -3.678 9.046 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.500 11.378 2.113 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.927 10.376 2.291 1.00 0.00 H new ATOM 0 HG SER A 84 -5.601 11.771 4.117 1.00 0.00 H new ATOM 1170 N ARG A 85 -4.645 7.779 0.765 1.00 0.00 N ATOM 1171 CA ARG A 85 -5.370 6.690 0.134 1.00 0.00 C ATOM 1172 C ARG A 85 -4.532 6.076 -0.990 1.00 0.00 C ATOM 1173 O ARG A 85 -4.595 6.525 -2.133 1.00 0.00 O ATOM 1174 CB ARG A 85 -6.703 7.175 -0.441 1.00 0.00 C ATOM 1175 CG ARG A 85 -7.856 6.874 0.519 1.00 0.00 C ATOM 1176 CD ARG A 85 -8.900 7.992 0.491 1.00 0.00 C ATOM 1177 NE ARG A 85 -9.169 8.468 1.866 1.00 0.00 N ATOM 1178 CZ ARG A 85 -10.030 9.450 2.166 1.00 0.00 C ATOM 1179 NH1 ARG A 85 -10.711 10.065 1.190 1.00 0.00 N ATOM 1180 NH2 ARG A 85 -10.211 9.816 3.442 1.00 0.00 N ATOM 0 H ARG A 85 -3.933 8.214 0.179 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.569 5.938 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.653 8.247 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.887 6.690 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.324 5.928 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.470 6.758 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.544 8.818 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.822 7.629 0.036 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.668 8.021 2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.574 9.786 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.366 10.812 1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.693 9.347 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.866 10.564 3.670 1.00 0.00 H new ATOM 1194 N LEU A 86 -3.767 5.058 -0.625 1.00 0.00 N ATOM 1195 CA LEU A 86 -2.918 4.377 -1.587 1.00 0.00 C ATOM 1196 C LEU A 86 -3.741 3.324 -2.332 1.00 0.00 C ATOM 1197 O LEU A 86 -4.630 2.702 -1.753 1.00 0.00 O ATOM 1198 CB LEU A 86 -1.674 3.812 -0.899 1.00 0.00 C ATOM 1199 CG LEU A 86 -0.701 4.841 -0.321 1.00 0.00 C ATOM 1200 CD1 LEU A 86 -0.019 4.304 0.939 1.00 0.00 C ATOM 1201 CD2 LEU A 86 0.313 5.289 -1.375 1.00 0.00 C ATOM 0 H LEU A 86 -3.717 4.688 0.324 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.549 5.080 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.997 3.154 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.135 3.195 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.271 5.723 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.667 5.055 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.773 4.076 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.536 3.398 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.993 6.020 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.882 4.427 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.212 5.740 -2.217 1.00 0.00 H new ATOM 1213 N HIS A 87 -3.415 3.157 -3.606 1.00 0.00 N ATOM 1214 CA HIS A 87 -4.113 2.191 -4.436 1.00 0.00 C ATOM 1215 C HIS A 87 -3.099 1.253 -5.095 1.00 0.00 C ATOM 1216 O HIS A 87 -2.618 1.527 -6.193 1.00 0.00 O ATOM 1217 CB HIS A 87 -5.015 2.896 -5.451 1.00 0.00 C ATOM 1218 CG HIS A 87 -6.487 2.618 -5.262 1.00 0.00 C ATOM 1219 ND1 HIS A 87 -7.420 3.622 -5.069 1.00 0.00 N ATOM 1220 CD2 HIS A 87 -7.176 1.442 -5.241 1.00 0.00 C ATOM 1221 CE1 HIS A 87 -8.614 3.063 -4.937 1.00 0.00 C ATOM 1222 NE2 HIS A 87 -8.461 1.711 -5.043 1.00 0.00 N ATOM 0 H HIS A 87 -2.677 3.675 -4.083 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.770 1.582 -3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.847 3.971 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.724 2.589 -6.455 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.749 0.458 -5.365 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.545 3.586 -4.774 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.210 1.021 -4.980 1.00 0.00 H new ATOM 1230 N MET A 88 -2.805 0.166 -4.396 1.00 0.00 N ATOM 1231 CA MET A 88 -1.858 -0.813 -4.899 1.00 0.00 C ATOM 1232 C MET A 88 -2.570 -1.902 -5.705 1.00 0.00 C ATOM 1233 O MET A 88 -3.669 -2.323 -5.349 1.00 0.00 O ATOM 1234 CB MET A 88 -1.111 -1.452 -3.726 1.00 0.00 C ATOM 1235 CG MET A 88 -0.530 -0.382 -2.799 1.00 0.00 C ATOM 1236 SD MET A 88 0.374 -1.154 -1.468 1.00 0.00 S ATOM 1237 CE MET A 88 -0.861 -1.098 -0.181 1.00 0.00 C ATOM 0 H MET A 88 -3.206 -0.058 -3.485 1.00 0.00 H new ATOM 0 HA MET A 88 -1.153 -0.303 -5.556 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.789 -2.095 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.309 -2.086 -4.103 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.129 0.280 -3.361 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.332 0.235 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.436 -1.478 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.189 -0.069 -0.036 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.714 -1.713 -0.468 1.00 0.00 H new ATOM 1247 N MET A 89 -1.914 -2.326 -6.775 1.00 0.00 N ATOM 1248 CA MET A 89 -2.471 -3.357 -7.634 1.00 0.00 C ATOM 1249 C MET A 89 -1.458 -4.480 -7.870 1.00 0.00 C ATOM 1250 O MET A 89 -0.368 -4.239 -8.387 1.00 0.00 O ATOM 1251 CB MET A 89 -2.873 -2.742 -8.976 1.00 0.00 C ATOM 1252 CG MET A 89 -3.512 -1.366 -8.779 1.00 0.00 C ATOM 1253 SD MET A 89 -4.926 -1.499 -7.697 1.00 0.00 S ATOM 1254 CE MET A 89 -6.199 -1.863 -8.894 1.00 0.00 C ATOM 0 H MET A 89 -1.002 -1.974 -7.067 1.00 0.00 H new ATOM 0 HA MET A 89 -3.347 -3.780 -7.141 1.00 0.00 H new ATOM 0 HB2 MET A 89 -1.995 -2.651 -9.616 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.573 -3.402 -9.487 1.00 0.00 H new ATOM 0 HG2 MET A 89 -2.783 -0.675 -8.355 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.818 -0.957 -9.742 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.927 -1.052 -8.909 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.750 -1.967 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.698 -2.793 -8.623 1.00 0.00 H new ATOM 1264 N VAL A 90 -1.854 -5.682 -7.478 1.00 0.00 N ATOM 1265 CA VAL A 90 -0.995 -6.843 -7.641 1.00 0.00 C ATOM 1266 C VAL A 90 -1.479 -7.668 -8.834 1.00 0.00 C ATOM 1267 O VAL A 90 -2.586 -7.460 -9.329 1.00 0.00 O ATOM 1268 CB VAL A 90 -0.947 -7.645 -6.339 1.00 0.00 C ATOM 1269 CG1 VAL A 90 -0.429 -6.786 -5.184 1.00 0.00 C ATOM 1270 CG2 VAL A 90 -2.319 -8.237 -6.009 1.00 0.00 C ATOM 0 H VAL A 90 -2.758 -5.877 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 90 0.028 -6.534 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.250 -8.471 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.405 -7.380 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.577 -6.434 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.089 -5.930 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.257 -8.802 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.045 -7.432 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.633 -8.899 -6.816 1.00 0.00 H new ATOM 1280 N ARG A 91 -0.627 -8.588 -9.262 1.00 0.00 N ATOM 1281 CA ARG A 91 -0.955 -9.445 -10.389 1.00 0.00 C ATOM 1282 C ARG A 91 -0.941 -10.914 -9.959 1.00 0.00 C ATOM 1283 O ARG A 91 0.123 -11.517 -9.831 1.00 0.00 O ATOM 1284 CB ARG A 91 0.036 -9.248 -11.538 1.00 0.00 C ATOM 1285 CG ARG A 91 -0.381 -8.073 -12.425 1.00 0.00 C ATOM 1286 CD ARG A 91 0.356 -8.111 -13.766 1.00 0.00 C ATOM 1287 NE ARG A 91 -0.049 -6.956 -14.598 1.00 0.00 N ATOM 1288 CZ ARG A 91 0.600 -6.561 -15.702 1.00 0.00 C ATOM 1289 NH1 ARG A 91 1.689 -7.225 -16.112 1.00 0.00 N ATOM 1290 NH2 ARG A 91 0.160 -5.502 -16.395 1.00 0.00 N ATOM 0 H ARG A 91 0.290 -8.759 -8.849 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.952 -9.172 -10.734 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.033 -9.069 -11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.091 -10.158 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.457 -8.106 -12.596 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.168 -7.134 -11.915 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.433 -8.090 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.132 -9.042 -14.287 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.874 -6.428 -14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.024 -8.031 -15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.183 -6.925 -16.952 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.669 -4.996 -16.082 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.654 -5.201 -17.235 1.00 0.00 H new ATOM 1304 N ARG A 92 -2.136 -11.447 -9.749 1.00 0.00 N ATOM 1305 CA ARG A 92 -2.274 -12.833 -9.337 1.00 0.00 C ATOM 1306 C ARG A 92 -2.810 -13.680 -10.493 1.00 0.00 C ATOM 1307 O ARG A 92 -3.630 -13.213 -11.281 1.00 0.00 O ATOM 1308 CB ARG A 92 -3.220 -12.960 -8.141 1.00 0.00 C ATOM 1309 CG ARG A 92 -2.859 -14.175 -7.283 1.00 0.00 C ATOM 1310 CD ARG A 92 -3.835 -14.330 -6.114 1.00 0.00 C ATOM 1311 NE ARG A 92 -3.168 -15.018 -4.986 1.00 0.00 N ATOM 1312 CZ ARG A 92 -2.979 -16.343 -4.921 1.00 0.00 C ATOM 1313 NH1 ARG A 92 -3.405 -17.131 -5.917 1.00 0.00 N ATOM 1314 NH2 ARG A 92 -2.364 -16.880 -3.858 1.00 0.00 N ATOM 0 H ARG A 92 -3.017 -10.944 -9.857 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.287 -13.192 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.170 -12.055 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.247 -13.051 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.875 -15.076 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.844 -14.067 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.191 -13.351 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.709 -14.898 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.831 -14.448 -4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.874 -16.723 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.261 -18.139 -5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.040 -16.280 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.220 -17.889 -3.808 1.00 0.00 H new ATOM 1328 N MET A 93 -2.323 -14.911 -10.558 1.00 0.00 N ATOM 1329 CA MET A 93 -2.742 -15.827 -11.605 1.00 0.00 C ATOM 1330 C MET A 93 -4.219 -16.196 -11.452 1.00 0.00 C ATOM 1331 O MET A 93 -4.805 -15.999 -10.388 1.00 0.00 O ATOM 1332 CB MET A 93 -1.889 -17.096 -11.545 1.00 0.00 C ATOM 1333 CG MET A 93 -0.712 -17.012 -12.519 1.00 0.00 C ATOM 1334 SD MET A 93 -1.306 -17.077 -14.201 1.00 0.00 S ATOM 1335 CE MET A 93 -1.168 -18.829 -14.511 1.00 0.00 C ATOM 0 H MET A 93 -1.642 -15.295 -9.903 1.00 0.00 H new ATOM 0 HA MET A 93 -2.608 -15.334 -12.568 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.517 -17.241 -10.531 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.504 -17.963 -11.786 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.159 -16.087 -12.355 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.019 -17.834 -12.337 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.501 -19.046 -15.526 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.129 -19.138 -14.396 1.00 0.00 H new ATOM 0 HE3 MET A 93 -1.789 -19.374 -13.801 1.00 0.00 H new ATOM 1345 N GLY A 94 -4.779 -16.726 -12.530 1.00 0.00 N ATOM 1346 CA GLY A 94 -6.176 -17.125 -12.528 1.00 0.00 C ATOM 1347 C GLY A 94 -6.493 -18.006 -11.318 1.00 0.00 C ATOM 1348 O GLY A 94 -6.838 -17.501 -10.251 1.00 0.00 O ATOM 0 H GLY A 94 -4.290 -16.888 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.811 -16.239 -12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.405 -17.666 -13.446 1.00 0.00 H new ATOM 1352 N SER A 95 -6.366 -19.308 -11.526 1.00 0.00 N ATOM 1353 CA SER A 95 -6.634 -20.265 -10.465 1.00 0.00 C ATOM 1354 C SER A 95 -5.631 -20.079 -9.326 1.00 0.00 C ATOM 1355 O SER A 95 -6.016 -19.776 -8.197 1.00 0.00 O ATOM 1356 CB SER A 95 -6.579 -21.700 -10.992 1.00 0.00 C ATOM 1357 OG SER A 95 -7.190 -22.622 -10.093 1.00 0.00 O ATOM 0 H SER A 95 -6.081 -19.723 -12.413 1.00 0.00 H new ATOM 0 HA SER A 95 -7.640 -20.083 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.079 -21.751 -11.959 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.540 -21.987 -11.155 1.00 0.00 H new ATOM 0 HG SER A 95 -7.136 -23.527 -10.466 1.00 0.00 H new ATOM 1363 N GLY A 96 -4.363 -20.267 -9.660 1.00 0.00 N ATOM 1364 CA GLY A 96 -3.301 -20.123 -8.679 1.00 0.00 C ATOM 1365 C GLY A 96 -3.252 -21.332 -7.742 1.00 0.00 C ATOM 1366 O GLY A 96 -4.140 -21.513 -6.910 1.00 0.00 O ATOM 0 H GLY A 96 -4.047 -20.518 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.343 -20.014 -9.188 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.459 -19.214 -8.098 1.00 0.00 H new ATOM 1370 N PRO A 97 -2.179 -22.149 -7.914 1.00 0.00 N ATOM 1371 CA PRO A 97 -2.003 -23.336 -7.094 1.00 0.00 C ATOM 1372 C PRO A 97 -1.539 -22.965 -5.684 1.00 0.00 C ATOM 1373 O PRO A 97 -1.303 -21.793 -5.393 1.00 0.00 O ATOM 1374 CB PRO A 97 -0.994 -24.188 -7.847 1.00 0.00 C ATOM 1375 CG PRO A 97 -0.296 -23.249 -8.816 1.00 0.00 C ATOM 1376 CD PRO A 97 -1.108 -21.966 -8.889 1.00 0.00 C ATOM 0 HA PRO A 97 -2.933 -23.884 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.279 -24.644 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.489 -25.001 -8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.719 -23.039 -8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.217 -23.707 -9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.497 -21.096 -8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.507 -21.807 -9.891 1.00 0.00 H new ATOM 1384 N SER A 98 -1.421 -23.985 -4.847 1.00 0.00 N ATOM 1385 CA SER A 98 -0.989 -23.780 -3.475 1.00 0.00 C ATOM 1386 C SER A 98 -2.046 -22.984 -2.706 1.00 0.00 C ATOM 1387 O SER A 98 -2.095 -21.759 -2.802 1.00 0.00 O ATOM 1388 CB SER A 98 0.360 -23.059 -3.424 1.00 0.00 C ATOM 1389 OG SER A 98 1.428 -23.948 -3.106 1.00 0.00 O ATOM 0 H SER A 98 -1.617 -24.955 -5.092 1.00 0.00 H new ATOM 0 HA SER A 98 -0.867 -24.756 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.556 -22.587 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.318 -22.262 -2.681 1.00 0.00 H new ATOM 0 HG SER A 98 2.272 -23.451 -3.085 1.00 0.00 H new ATOM 1395 N SER A 99 -2.864 -23.713 -1.962 1.00 0.00 N ATOM 1396 CA SER A 99 -3.917 -23.090 -1.178 1.00 0.00 C ATOM 1397 C SER A 99 -3.316 -22.388 0.042 1.00 0.00 C ATOM 1398 O SER A 99 -2.271 -22.798 0.545 1.00 0.00 O ATOM 1399 CB SER A 99 -4.959 -24.120 -0.738 1.00 0.00 C ATOM 1400 OG SER A 99 -4.417 -25.071 0.175 1.00 0.00 O ATOM 0 H SER A 99 -2.819 -24.729 -1.885 1.00 0.00 H new ATOM 0 HA SER A 99 -4.418 -22.351 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.800 -23.608 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.348 -24.639 -1.614 1.00 0.00 H new ATOM 0 HG SER A 99 -5.114 -25.710 0.433 1.00 0.00 H new ATOM 1406 N GLY A 100 -4.002 -21.344 0.482 1.00 0.00 N ATOM 1407 CA GLY A 100 -3.548 -20.582 1.633 1.00 0.00 C ATOM 1408 C GLY A 100 -4.728 -20.164 2.513 1.00 0.00 C ATOM 1409 O GLY A 100 -4.938 -18.976 2.752 1.00 0.00 O ATOM 0 H GLY A 100 -4.869 -21.008 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.848 -21.180 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.008 -19.697 1.298 1.00 0.00 H new TER 1413 GLY A 100