USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 38 TYR OH : rot -119:sc= 1.25 USER MOD Set 1.2: A 58 GLN :FLIP amide:sc= -0.66 F(o=-5.1,f=0.59) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0905 (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 13 SER OG : rot 34:sc= 0.441 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-2.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.47 USER MOD Single : A 33 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.25) USER MOD Single : A 40 SER OG : rot 180:sc= -1.18 USER MOD Single : A 46 SER OG : rot -105:sc= 0.465 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.36 F(o=-2.1!,f=-0.36) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= -1.36 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 72 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-4.7!) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0928) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 170:sc= -0.0345 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.362 -21.403 -5.525 1.00 0.00 N ATOM 2 CA GLY A 1 22.352 -22.276 -4.950 1.00 0.00 C ATOM 3 C GLY A 1 21.062 -22.237 -5.771 1.00 0.00 C ATOM 4 O GLY A 1 21.071 -21.822 -6.929 1.00 0.00 O ATOM 0 H1 GLY A 1 24.295 -21.858 -5.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.138 -21.224 -6.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.377 -20.501 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.730 -23.297 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.144 -21.971 -3.924 1.00 0.00 H new ATOM 8 N SER A 2 19.982 -22.674 -5.139 1.00 0.00 N ATOM 9 CA SER A 2 18.687 -22.694 -5.797 1.00 0.00 C ATOM 10 C SER A 2 17.660 -21.934 -4.954 1.00 0.00 C ATOM 11 O SER A 2 17.018 -22.514 -4.080 1.00 0.00 O ATOM 12 CB SER A 2 18.215 -24.129 -6.041 1.00 0.00 C ATOM 13 OG SER A 2 18.124 -24.432 -7.430 1.00 0.00 O ATOM 0 H SER A 2 19.978 -23.017 -4.178 1.00 0.00 H new ATOM 0 HA SER A 2 18.788 -22.204 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.905 -24.824 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.241 -24.275 -5.574 1.00 0.00 H new ATOM 0 HG SER A 2 17.821 -25.357 -7.544 1.00 0.00 H new ATOM 19 N SER A 3 17.537 -20.648 -5.247 1.00 0.00 N ATOM 20 CA SER A 3 16.600 -19.803 -4.527 1.00 0.00 C ATOM 21 C SER A 3 16.508 -18.432 -5.201 1.00 0.00 C ATOM 22 O SER A 3 17.486 -17.948 -5.768 1.00 0.00 O ATOM 23 CB SER A 3 17.011 -19.648 -3.062 1.00 0.00 C ATOM 24 OG SER A 3 15.898 -19.759 -2.180 1.00 0.00 O ATOM 0 H SER A 3 18.071 -20.171 -5.973 1.00 0.00 H new ATOM 0 HA SER A 3 15.620 -20.280 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.750 -20.409 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.490 -18.679 -2.921 1.00 0.00 H new ATOM 0 HG SER A 3 16.203 -19.656 -1.254 1.00 0.00 H new ATOM 30 N GLY A 4 15.323 -17.845 -5.116 1.00 0.00 N ATOM 31 CA GLY A 4 15.090 -16.540 -5.710 1.00 0.00 C ATOM 32 C GLY A 4 13.599 -16.311 -5.964 1.00 0.00 C ATOM 33 O GLY A 4 13.027 -16.886 -6.888 1.00 0.00 O ATOM 0 H GLY A 4 14.514 -18.250 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.474 -15.762 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.639 -16.461 -6.648 1.00 0.00 H new ATOM 37 N SER A 5 13.011 -15.469 -5.126 1.00 0.00 N ATOM 38 CA SER A 5 11.597 -15.157 -5.247 1.00 0.00 C ATOM 39 C SER A 5 11.336 -13.723 -4.781 1.00 0.00 C ATOM 40 O SER A 5 11.628 -13.375 -3.638 1.00 0.00 O ATOM 41 CB SER A 5 10.745 -16.140 -4.442 1.00 0.00 C ATOM 42 OG SER A 5 9.359 -15.812 -4.494 1.00 0.00 O ATOM 0 H SER A 5 13.489 -14.993 -4.360 1.00 0.00 H new ATOM 0 HA SER A 5 11.315 -15.249 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.894 -17.149 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.078 -16.143 -3.404 1.00 0.00 H new ATOM 0 HG SER A 5 8.849 -16.464 -3.969 1.00 0.00 H new ATOM 48 N SER A 6 10.789 -12.930 -5.691 1.00 0.00 N ATOM 49 CA SER A 6 10.485 -11.542 -5.387 1.00 0.00 C ATOM 50 C SER A 6 9.047 -11.219 -5.798 1.00 0.00 C ATOM 51 O SER A 6 8.482 -11.882 -6.667 1.00 0.00 O ATOM 52 CB SER A 6 11.462 -10.598 -6.091 1.00 0.00 C ATOM 53 OG SER A 6 11.318 -10.640 -7.508 1.00 0.00 O ATOM 0 H SER A 6 10.549 -13.222 -6.638 1.00 0.00 H new ATOM 0 HA SER A 6 10.591 -11.396 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.298 -9.579 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.483 -10.867 -5.822 1.00 0.00 H new ATOM 0 HG SER A 6 11.958 -10.023 -7.920 1.00 0.00 H new ATOM 59 N GLY A 7 8.496 -10.201 -5.153 1.00 0.00 N ATOM 60 CA GLY A 7 7.134 -9.783 -5.440 1.00 0.00 C ATOM 61 C GLY A 7 7.088 -8.871 -6.668 1.00 0.00 C ATOM 62 O GLY A 7 7.463 -9.282 -7.765 1.00 0.00 O ATOM 0 H GLY A 7 8.968 -9.654 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.509 -10.660 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.721 -9.259 -4.578 1.00 0.00 H new ATOM 66 N GLU A 8 6.626 -7.650 -6.441 1.00 0.00 N ATOM 67 CA GLU A 8 6.526 -6.677 -7.515 1.00 0.00 C ATOM 68 C GLU A 8 6.068 -5.324 -6.965 1.00 0.00 C ATOM 69 O GLU A 8 5.128 -5.258 -6.174 1.00 0.00 O ATOM 70 CB GLU A 8 5.583 -7.169 -8.616 1.00 0.00 C ATOM 71 CG GLU A 8 4.189 -7.455 -8.055 1.00 0.00 C ATOM 72 CD GLU A 8 3.313 -8.157 -9.096 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.777 -9.190 -9.624 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.200 -7.643 -9.339 1.00 0.00 O ATOM 0 H GLU A 8 6.317 -7.313 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 8 7.514 -6.552 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.515 -6.419 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.989 -8.073 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.272 -8.078 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.718 -6.521 -7.748 1.00 0.00 H new ATOM 81 N VAL A 9 6.753 -4.279 -7.406 1.00 0.00 N ATOM 82 CA VAL A 9 6.428 -2.933 -6.967 1.00 0.00 C ATOM 83 C VAL A 9 5.345 -2.352 -7.878 1.00 0.00 C ATOM 84 O VAL A 9 5.472 -2.389 -9.101 1.00 0.00 O ATOM 85 CB VAL A 9 7.696 -2.077 -6.923 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.350 -0.592 -6.792 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.622 -2.526 -5.792 1.00 0.00 C ATOM 0 H VAL A 9 7.531 -4.337 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 9 6.027 -2.948 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 9 8.227 -2.216 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.268 -0.006 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.748 -0.282 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.786 -0.429 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.515 -1.901 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.104 -2.431 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.908 -3.566 -5.947 1.00 0.00 H new ATOM 97 N ARG A 10 4.305 -1.827 -7.248 1.00 0.00 N ATOM 98 CA ARG A 10 3.200 -1.239 -7.986 1.00 0.00 C ATOM 99 C ARG A 10 3.402 0.271 -8.129 1.00 0.00 C ATOM 100 O ARG A 10 4.288 0.845 -7.499 1.00 0.00 O ATOM 101 CB ARG A 10 1.866 -1.505 -7.287 1.00 0.00 C ATOM 102 CG ARG A 10 1.796 -0.774 -5.944 1.00 0.00 C ATOM 103 CD ARG A 10 0.609 -1.266 -5.113 1.00 0.00 C ATOM 104 NE ARG A 10 1.081 -1.766 -3.802 1.00 0.00 N ATOM 105 CZ ARG A 10 0.270 -2.091 -2.786 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.057 -1.971 -2.924 1.00 0.00 N ATOM 107 NH2 ARG A 10 0.787 -2.536 -1.633 1.00 0.00 N ATOM 0 H ARG A 10 4.204 -1.796 -6.233 1.00 0.00 H new ATOM 0 HA ARG A 10 3.177 -1.701 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.045 -1.179 -7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.741 -2.576 -7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.722 -0.932 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.706 0.299 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.104 -0.455 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.085 -2.059 -5.647 1.00 0.00 H new ATOM 0 HE ARG A 10 2.086 -1.870 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.450 -1.632 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.675 -2.218 -2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.798 -2.627 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.170 -2.783 -0.859 1.00 0.00 H new ATOM 121 N LEU A 11 2.565 0.871 -8.963 1.00 0.00 N ATOM 122 CA LEU A 11 2.640 2.303 -9.196 1.00 0.00 C ATOM 123 C LEU A 11 1.268 2.930 -8.940 1.00 0.00 C ATOM 124 O LEU A 11 0.379 2.854 -9.787 1.00 0.00 O ATOM 125 CB LEU A 11 3.196 2.590 -10.592 1.00 0.00 C ATOM 126 CG LEU A 11 4.694 2.339 -10.782 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.120 2.630 -12.222 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.516 3.138 -9.769 1.00 0.00 C ATOM 0 H LEU A 11 1.832 0.391 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 11 3.338 2.766 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.651 1.978 -11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.988 3.632 -10.837 1.00 0.00 H new ATOM 0 HG LEU A 11 4.890 1.283 -10.595 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.189 2.444 -12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.568 1.982 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.907 3.672 -12.461 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.577 2.942 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.321 4.202 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.237 2.840 -8.758 1.00 0.00 H new ATOM 140 N VAL A 12 1.139 3.536 -7.769 1.00 0.00 N ATOM 141 CA VAL A 12 -0.110 4.175 -7.391 1.00 0.00 C ATOM 142 C VAL A 12 -0.032 5.668 -7.717 1.00 0.00 C ATOM 143 O VAL A 12 1.023 6.284 -7.578 1.00 0.00 O ATOM 144 CB VAL A 12 -0.414 3.900 -5.917 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.611 4.726 -5.441 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.646 2.408 -5.674 1.00 0.00 C ATOM 0 H VAL A 12 1.879 3.598 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.940 3.760 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 12 0.455 4.203 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.806 4.512 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.392 5.787 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.489 4.468 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.860 2.240 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.490 2.069 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.247 1.850 -5.956 1.00 0.00 H new ATOM 156 N SER A 13 -1.164 6.207 -8.145 1.00 0.00 N ATOM 157 CA SER A 13 -1.238 7.617 -8.492 1.00 0.00 C ATOM 158 C SER A 13 -2.417 8.272 -7.771 1.00 0.00 C ATOM 159 O SER A 13 -3.572 7.934 -8.028 1.00 0.00 O ATOM 160 CB SER A 13 -1.369 7.805 -10.005 1.00 0.00 C ATOM 161 OG SER A 13 -1.001 9.120 -10.413 1.00 0.00 O ATOM 0 H SER A 13 -2.038 5.693 -8.260 1.00 0.00 H new ATOM 0 HA SER A 13 -0.313 8.097 -8.172 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.739 7.077 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.397 7.606 -10.308 1.00 0.00 H new ATOM 0 HG SER A 13 -0.280 9.451 -9.837 1.00 0.00 H new ATOM 167 N LEU A 14 -2.086 9.199 -6.884 1.00 0.00 N ATOM 168 CA LEU A 14 -3.104 9.905 -6.124 1.00 0.00 C ATOM 169 C LEU A 14 -3.077 11.388 -6.499 1.00 0.00 C ATOM 170 O LEU A 14 -2.012 12.001 -6.543 1.00 0.00 O ATOM 171 CB LEU A 14 -2.930 9.646 -4.626 1.00 0.00 C ATOM 172 CG LEU A 14 -3.616 8.393 -4.078 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.101 8.377 -4.443 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.897 7.126 -4.545 1.00 0.00 C ATOM 0 H LEU A 14 -1.127 9.478 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.096 9.530 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.864 9.576 -4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.309 10.511 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.552 8.417 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.565 7.476 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.589 9.255 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.209 8.388 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.405 6.250 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.908 7.082 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.866 7.142 -4.193 1.00 0.00 H new ATOM 186 N ARG A 15 -4.262 11.921 -6.761 1.00 0.00 N ATOM 187 CA ARG A 15 -4.388 13.320 -7.131 1.00 0.00 C ATOM 188 C ARG A 15 -5.048 14.111 -6.000 1.00 0.00 C ATOM 189 O ARG A 15 -5.529 13.529 -5.029 1.00 0.00 O ATOM 190 CB ARG A 15 -5.216 13.480 -8.407 1.00 0.00 C ATOM 191 CG ARG A 15 -4.636 14.575 -9.304 1.00 0.00 C ATOM 192 CD ARG A 15 -4.292 14.025 -10.689 1.00 0.00 C ATOM 193 NE ARG A 15 -5.528 13.610 -11.390 1.00 0.00 N ATOM 194 CZ ARG A 15 -5.957 12.343 -11.472 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.252 11.359 -10.898 1.00 0.00 N ATOM 196 NH2 ARG A 15 -7.090 12.061 -12.129 1.00 0.00 N ATOM 0 H ARG A 15 -5.143 11.409 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.385 13.707 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.240 12.535 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.246 13.725 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.354 15.389 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.741 14.992 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.771 14.785 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.615 13.176 -10.594 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.089 14.334 -11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.389 11.574 -10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.578 10.395 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.626 12.811 -12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.417 11.097 -12.192 1.00 0.00 H new ATOM 210 N ARG A 16 -5.051 15.426 -6.163 1.00 0.00 N ATOM 211 CA ARG A 16 -5.645 16.302 -5.168 1.00 0.00 C ATOM 212 C ARG A 16 -6.856 17.029 -5.756 1.00 0.00 C ATOM 213 O ARG A 16 -7.068 18.210 -5.485 1.00 0.00 O ATOM 214 CB ARG A 16 -4.632 17.334 -4.669 1.00 0.00 C ATOM 215 CG ARG A 16 -4.274 18.331 -5.774 1.00 0.00 C ATOM 216 CD ARG A 16 -2.961 19.050 -5.459 1.00 0.00 C ATOM 217 NE ARG A 16 -3.233 20.287 -4.694 1.00 0.00 N ATOM 218 CZ ARG A 16 -2.331 21.257 -4.489 1.00 0.00 C ATOM 219 NH1 ARG A 16 -1.094 21.139 -4.992 1.00 0.00 N ATOM 220 NH2 ARG A 16 -2.666 22.345 -3.782 1.00 0.00 N ATOM 0 H ARG A 16 -4.651 15.906 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.961 15.684 -4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.043 17.868 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.730 16.827 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.187 17.808 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.076 19.061 -5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.306 18.394 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.438 19.292 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.165 20.409 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.839 20.311 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.408 21.877 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.607 22.435 -3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.980 23.083 -3.626 1.00 0.00 H new ATOM 234 N ALA A 17 -7.620 16.294 -6.551 1.00 0.00 N ATOM 235 CA ALA A 17 -8.804 16.854 -7.179 1.00 0.00 C ATOM 236 C ALA A 17 -9.869 15.763 -7.314 1.00 0.00 C ATOM 237 O ALA A 17 -9.979 15.124 -8.359 1.00 0.00 O ATOM 238 CB ALA A 17 -8.424 17.467 -8.528 1.00 0.00 C ATOM 0 H ALA A 17 -7.442 15.315 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.224 17.651 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.312 17.887 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.687 18.255 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.002 16.696 -9.172 1.00 0.00 H new ATOM 244 N LYS A 18 -10.626 15.584 -6.241 1.00 0.00 N ATOM 245 CA LYS A 18 -11.677 14.581 -6.227 1.00 0.00 C ATOM 246 C LYS A 18 -12.628 14.863 -5.061 1.00 0.00 C ATOM 247 O LYS A 18 -13.071 13.939 -4.380 1.00 0.00 O ATOM 248 CB LYS A 18 -11.077 13.174 -6.204 1.00 0.00 C ATOM 249 CG LYS A 18 -12.173 12.109 -6.273 1.00 0.00 C ATOM 250 CD LYS A 18 -11.909 11.124 -7.414 1.00 0.00 C ATOM 251 CE LYS A 18 -12.938 11.293 -8.534 1.00 0.00 C ATOM 252 NZ LYS A 18 -13.299 9.978 -9.109 1.00 0.00 N ATOM 0 H LYS A 18 -10.532 16.116 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.267 14.635 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.394 13.053 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.491 13.040 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.222 11.570 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.142 12.588 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.906 11.281 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.945 10.103 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.830 11.784 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.533 11.939 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.998 10.111 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.448 9.524 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.705 9.374 -8.366 1.00 0.00 H new ATOM 266 N ALA A 19 -12.913 16.142 -4.867 1.00 0.00 N ATOM 267 CA ALA A 19 -13.803 16.557 -3.796 1.00 0.00 C ATOM 268 C ALA A 19 -13.015 16.638 -2.487 1.00 0.00 C ATOM 269 O ALA A 19 -12.950 17.695 -1.862 1.00 0.00 O ATOM 270 CB ALA A 19 -14.982 15.586 -3.707 1.00 0.00 C ATOM 0 H ALA A 19 -12.543 16.905 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.211 17.548 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.650 15.897 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.526 15.587 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.611 14.582 -3.502 1.00 0.00 H new ATOM 276 N HIS A 20 -12.435 15.507 -2.112 1.00 0.00 N ATOM 277 CA HIS A 20 -11.654 15.437 -0.888 1.00 0.00 C ATOM 278 C HIS A 20 -10.169 15.603 -1.217 1.00 0.00 C ATOM 279 O HIS A 20 -9.496 14.637 -1.574 1.00 0.00 O ATOM 280 CB HIS A 20 -11.951 14.143 -0.127 1.00 0.00 C ATOM 281 CG HIS A 20 -11.998 12.913 -1.002 1.00 0.00 C ATOM 282 ND1 HIS A 20 -10.859 12.306 -1.503 1.00 0.00 N ATOM 283 CD2 HIS A 20 -13.056 12.183 -1.458 1.00 0.00 C ATOM 284 CE1 HIS A 20 -11.228 11.260 -2.227 1.00 0.00 C ATOM 285 NE2 HIS A 20 -12.590 11.185 -2.198 1.00 0.00 N ATOM 0 H HIS A 20 -12.490 14.632 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 20 -11.938 16.254 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -11.190 14.002 0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.906 14.247 0.387 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -9.899 12.612 -1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -14.097 12.383 -1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.566 10.585 -2.749 1.00 0.00 H new ATOM 293 N GLU A 21 -9.701 16.836 -1.086 1.00 0.00 N ATOM 294 CA GLU A 21 -8.308 17.142 -1.365 1.00 0.00 C ATOM 295 C GLU A 21 -7.391 16.257 -0.518 1.00 0.00 C ATOM 296 O GLU A 21 -7.460 16.280 0.710 1.00 0.00 O ATOM 297 CB GLU A 21 -8.014 18.624 -1.126 1.00 0.00 C ATOM 298 CG GLU A 21 -8.173 19.429 -2.417 1.00 0.00 C ATOM 299 CD GLU A 21 -8.531 20.886 -2.113 1.00 0.00 C ATOM 300 OE1 GLU A 21 -9.628 21.096 -1.552 1.00 0.00 O ATOM 301 OE2 GLU A 21 -7.699 21.756 -2.450 1.00 0.00 O ATOM 0 H GLU A 21 -10.262 17.635 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.113 16.932 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.689 19.014 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.000 18.740 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.247 19.390 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.950 18.981 -3.036 1.00 0.00 H new ATOM 308 N GLY A 22 -6.552 15.498 -1.208 1.00 0.00 N ATOM 309 CA GLY A 22 -5.622 14.607 -0.535 1.00 0.00 C ATOM 310 C GLY A 22 -5.603 13.230 -1.201 1.00 0.00 C ATOM 311 O GLY A 22 -6.586 12.820 -1.816 1.00 0.00 O ATOM 0 H GLY A 22 -6.497 15.482 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.621 15.038 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.905 14.504 0.513 1.00 0.00 H new ATOM 315 N LEU A 23 -4.474 12.552 -1.054 1.00 0.00 N ATOM 316 CA LEU A 23 -4.314 11.230 -1.634 1.00 0.00 C ATOM 317 C LEU A 23 -5.364 10.288 -1.041 1.00 0.00 C ATOM 318 O LEU A 23 -5.818 9.360 -1.708 1.00 0.00 O ATOM 319 CB LEU A 23 -2.876 10.737 -1.457 1.00 0.00 C ATOM 320 CG LEU A 23 -1.795 11.820 -1.428 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.400 11.206 -1.560 1.00 0.00 C ATOM 322 CD2 LEU A 23 -2.057 12.884 -2.497 1.00 0.00 C ATOM 0 H LEU A 23 -3.661 12.894 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.485 11.263 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.819 10.170 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.648 10.045 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.836 12.319 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.349 11.997 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.226 10.517 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.328 10.666 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.275 13.642 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.058 12.417 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.025 13.351 -2.316 1.00 0.00 H new ATOM 334 N GLY A 24 -5.719 10.559 0.207 1.00 0.00 N ATOM 335 CA GLY A 24 -6.706 9.747 0.897 1.00 0.00 C ATOM 336 C GLY A 24 -6.032 8.700 1.786 1.00 0.00 C ATOM 337 O GLY A 24 -6.699 7.830 2.342 1.00 0.00 O ATOM 0 H GLY A 24 -5.340 11.330 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.347 10.386 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.348 9.252 0.168 1.00 0.00 H new ATOM 341 N PHE A 25 -4.716 8.820 1.892 1.00 0.00 N ATOM 342 CA PHE A 25 -3.944 7.895 2.703 1.00 0.00 C ATOM 343 C PHE A 25 -2.783 8.611 3.396 1.00 0.00 C ATOM 344 O PHE A 25 -2.039 9.355 2.759 1.00 0.00 O ATOM 345 CB PHE A 25 -3.380 6.833 1.757 1.00 0.00 C ATOM 346 CG PHE A 25 -2.136 7.282 0.988 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.914 7.230 1.582 1.00 0.00 C ATOM 348 CD2 PHE A 25 -2.252 7.733 -0.290 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.241 7.647 0.868 1.00 0.00 C ATOM 350 CE2 PHE A 25 -1.098 8.149 -1.004 1.00 0.00 C ATOM 351 CZ PHE A 25 0.125 8.098 -0.409 1.00 0.00 C ATOM 0 H PHE A 25 -4.166 9.544 1.430 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.579 7.458 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.136 5.941 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.153 6.550 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.822 6.872 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.223 7.775 -0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.212 7.606 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.190 8.506 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.003 8.416 -0.951 1.00 0.00 H new ATOM 361 N SER A 26 -2.665 8.361 4.692 1.00 0.00 N ATOM 362 CA SER A 26 -1.607 8.972 5.479 1.00 0.00 C ATOM 363 C SER A 26 -0.360 8.086 5.459 1.00 0.00 C ATOM 364 O SER A 26 -0.429 6.921 5.068 1.00 0.00 O ATOM 365 CB SER A 26 -2.062 9.216 6.919 1.00 0.00 C ATOM 366 OG SER A 26 -2.076 10.603 7.247 1.00 0.00 O ATOM 0 H SER A 26 -3.285 7.744 5.217 1.00 0.00 H new ATOM 0 HA SER A 26 -1.365 9.937 5.035 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.060 8.800 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.398 8.688 7.603 1.00 0.00 H new ATOM 0 HG SER A 26 -2.374 10.717 8.174 1.00 0.00 H new ATOM 372 N ILE A 27 0.750 8.670 5.885 1.00 0.00 N ATOM 373 CA ILE A 27 2.009 7.947 5.922 1.00 0.00 C ATOM 374 C ILE A 27 2.619 8.063 7.320 1.00 0.00 C ATOM 375 O ILE A 27 2.173 8.874 8.130 1.00 0.00 O ATOM 376 CB ILE A 27 2.937 8.431 4.805 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.432 9.852 5.080 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.257 8.314 3.439 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.927 9.979 4.783 1.00 0.00 C ATOM 0 H ILE A 27 0.803 9.636 6.208 1.00 0.00 H new ATOM 0 HA ILE A 27 1.844 6.886 5.733 1.00 0.00 H new ATOM 0 HB ILE A 27 3.814 7.784 4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.874 10.560 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.241 10.112 6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.937 8.664 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.996 7.273 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.352 8.922 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.253 10.999 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.484 9.287 5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.111 9.742 3.735 1.00 0.00 H new ATOM 391 N ARG A 28 3.629 7.241 7.561 1.00 0.00 N ATOM 392 CA ARG A 28 4.305 7.241 8.847 1.00 0.00 C ATOM 393 C ARG A 28 5.732 6.710 8.698 1.00 0.00 C ATOM 394 O ARG A 28 6.077 6.127 7.671 1.00 0.00 O ATOM 395 CB ARG A 28 3.552 6.381 9.864 1.00 0.00 C ATOM 396 CG ARG A 28 3.396 4.945 9.360 1.00 0.00 C ATOM 397 CD ARG A 28 3.432 3.949 10.520 1.00 0.00 C ATOM 398 NE ARG A 28 3.208 2.575 10.016 1.00 0.00 N ATOM 399 CZ ARG A 28 3.583 1.466 10.667 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.201 1.561 11.852 1.00 0.00 N ATOM 401 NH2 ARG A 28 3.339 0.261 10.133 1.00 0.00 N ATOM 0 H ARG A 28 3.996 6.569 6.887 1.00 0.00 H new ATOM 0 HA ARG A 28 4.333 8.270 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.088 6.381 10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.569 6.812 10.053 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.454 4.846 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.194 4.715 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.394 4.006 11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.668 4.205 11.254 1.00 0.00 H new ATOM 0 HE ARG A 28 2.739 2.466 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.386 2.478 12.259 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.486 0.716 12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.868 0.189 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.624 -0.584 10.628 1.00 0.00 H new ATOM 415 N GLY A 29 6.523 6.932 9.737 1.00 0.00 N ATOM 416 CA GLY A 29 7.906 6.483 9.734 1.00 0.00 C ATOM 417 C GLY A 29 8.868 7.672 9.782 1.00 0.00 C ATOM 418 O GLY A 29 8.530 8.728 10.314 1.00 0.00 O ATOM 0 H GLY A 29 6.233 7.417 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.083 5.833 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.098 5.891 8.839 1.00 0.00 H new ATOM 422 N GLY A 30 10.048 7.459 9.219 1.00 0.00 N ATOM 423 CA GLY A 30 11.062 8.500 9.190 1.00 0.00 C ATOM 424 C GLY A 30 12.435 7.938 9.566 1.00 0.00 C ATOM 425 O GLY A 30 12.531 7.006 10.363 1.00 0.00 O ATOM 0 H GLY A 30 10.325 6.581 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.106 8.942 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.790 9.297 9.881 1.00 0.00 H new ATOM 429 N SER A 31 13.463 8.530 8.976 1.00 0.00 N ATOM 430 CA SER A 31 14.826 8.101 9.239 1.00 0.00 C ATOM 431 C SER A 31 15.173 8.334 10.711 1.00 0.00 C ATOM 432 O SER A 31 16.005 7.626 11.276 1.00 0.00 O ATOM 433 CB SER A 31 15.818 8.835 8.336 1.00 0.00 C ATOM 434 OG SER A 31 17.133 8.293 8.436 1.00 0.00 O ATOM 0 H SER A 31 13.379 9.304 8.316 1.00 0.00 H new ATOM 0 HA SER A 31 14.898 7.036 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.479 8.776 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.840 9.891 8.604 1.00 0.00 H new ATOM 0 HG SER A 31 17.737 8.788 7.843 1.00 0.00 H new ATOM 440 N GLU A 32 14.517 9.330 11.289 1.00 0.00 N ATOM 441 CA GLU A 32 14.746 9.665 12.684 1.00 0.00 C ATOM 442 C GLU A 32 14.378 8.483 13.582 1.00 0.00 C ATOM 443 O GLU A 32 14.944 8.318 14.662 1.00 0.00 O ATOM 444 CB GLU A 32 13.966 10.920 13.082 1.00 0.00 C ATOM 445 CG GLU A 32 12.462 10.712 12.896 1.00 0.00 C ATOM 446 CD GLU A 32 11.679 11.952 13.329 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.834 12.339 14.508 1.00 0.00 O ATOM 448 OE2 GLU A 32 10.942 12.487 12.473 1.00 0.00 O ATOM 0 H GLU A 32 13.828 9.915 10.817 1.00 0.00 H new ATOM 0 HA GLU A 32 15.807 9.879 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.177 11.169 14.122 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.297 11.765 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.249 10.490 11.850 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.136 9.850 13.478 1.00 0.00 H new ATOM 455 N HIS A 33 13.431 7.689 13.103 1.00 0.00 N ATOM 456 CA HIS A 33 12.980 6.527 13.849 1.00 0.00 C ATOM 457 C HIS A 33 13.782 5.298 13.418 1.00 0.00 C ATOM 458 O HIS A 33 13.728 4.256 14.071 1.00 0.00 O ATOM 459 CB HIS A 33 11.470 6.334 13.694 1.00 0.00 C ATOM 460 CG HIS A 33 10.672 6.725 14.915 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.305 6.937 14.880 1.00 0.00 N ATOM 462 CD2 HIS A 33 11.063 6.940 16.204 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.902 7.265 16.099 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.993 7.267 16.918 1.00 0.00 N ATOM 0 H HIS A 33 12.964 7.828 12.207 1.00 0.00 H new ATOM 0 HA HIS A 33 13.160 6.681 14.913 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.124 6.922 12.843 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.270 5.288 13.461 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.072 6.858 16.580 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.888 7.491 16.393 1.00 0.00 H new ATOM 0 HE2 HIS A 33 9.987 7.484 17.915 1.00 0.00 H new ATOM 472 N GLY A 34 14.507 5.459 12.321 1.00 0.00 N ATOM 473 CA GLY A 34 15.320 4.375 11.795 1.00 0.00 C ATOM 474 C GLY A 34 14.526 3.529 10.797 1.00 0.00 C ATOM 475 O GLY A 34 15.067 2.604 10.194 1.00 0.00 O ATOM 0 H GLY A 34 14.549 6.324 11.782 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.206 4.783 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.668 3.746 12.614 1.00 0.00 H new ATOM 479 N VAL A 35 13.256 3.878 10.654 1.00 0.00 N ATOM 480 CA VAL A 35 12.382 3.162 9.740 1.00 0.00 C ATOM 481 C VAL A 35 12.189 3.993 8.470 1.00 0.00 C ATOM 482 O VAL A 35 12.500 5.183 8.449 1.00 0.00 O ATOM 483 CB VAL A 35 11.063 2.820 10.436 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.290 2.512 11.918 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.042 3.945 10.260 1.00 0.00 C ATOM 0 H VAL A 35 12.811 4.647 11.155 1.00 0.00 H new ATOM 0 HA VAL A 35 12.833 2.215 9.444 1.00 0.00 H new ATOM 0 HB VAL A 35 10.658 1.924 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.337 2.272 12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.966 1.663 12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.728 3.382 12.407 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.114 3.676 10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.436 4.865 10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.847 4.097 9.198 1.00 0.00 H new ATOM 495 N GLY A 36 11.676 3.334 7.442 1.00 0.00 N ATOM 496 CA GLY A 36 11.438 3.997 6.171 1.00 0.00 C ATOM 497 C GLY A 36 10.118 4.771 6.195 1.00 0.00 C ATOM 498 O GLY A 36 9.893 5.593 7.082 1.00 0.00 O ATOM 0 H GLY A 36 11.418 2.347 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.260 4.679 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.416 3.258 5.370 1.00 0.00 H new ATOM 502 N ILE A 37 9.281 4.481 5.211 1.00 0.00 N ATOM 503 CA ILE A 37 7.990 5.140 5.108 1.00 0.00 C ATOM 504 C ILE A 37 6.905 4.090 4.857 1.00 0.00 C ATOM 505 O ILE A 37 7.152 3.083 4.196 1.00 0.00 O ATOM 506 CB ILE A 37 8.034 6.243 4.050 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.206 7.195 4.299 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.698 6.986 3.975 1.00 0.00 C ATOM 509 CD1 ILE A 37 8.875 8.193 5.410 1.00 0.00 C ATOM 0 H ILE A 37 9.471 3.798 4.477 1.00 0.00 H new ATOM 0 HA ILE A 37 7.741 5.639 6.045 1.00 0.00 H new ATOM 0 HB ILE A 37 8.198 5.777 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.093 6.623 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.444 7.733 3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.757 7.765 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.906 6.284 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.479 7.439 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.724 8.858 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.003 8.780 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.662 7.653 6.332 1.00 0.00 H new ATOM 521 N TYR A 38 5.727 4.362 5.398 1.00 0.00 N ATOM 522 CA TYR A 38 4.603 3.454 5.241 1.00 0.00 C ATOM 523 C TYR A 38 3.278 4.171 5.504 1.00 0.00 C ATOM 524 O TYR A 38 3.254 5.232 6.125 1.00 0.00 O ATOM 525 CB TYR A 38 4.795 2.360 6.293 1.00 0.00 C ATOM 526 CG TYR A 38 6.196 1.745 6.303 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.187 2.296 7.090 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.469 0.638 5.524 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.505 1.717 7.099 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.788 0.059 5.533 1.00 0.00 C ATOM 531 CZ TYR A 38 8.740 0.627 6.320 1.00 0.00 C ATOM 532 OH TYR A 38 9.986 0.080 6.329 1.00 0.00 O ATOM 0 H TYR A 38 5.526 5.199 5.946 1.00 0.00 H new ATOM 0 HA TYR A 38 4.569 3.057 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.585 2.777 7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.064 1.570 6.119 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.974 3.162 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.694 0.206 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.289 2.138 7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.015 -0.807 4.928 1.00 0.00 H new ATOM 0 HH TYR A 38 10.365 0.115 5.426 1.00 0.00 H new ATOM 542 N VAL A 39 2.206 3.562 5.019 1.00 0.00 N ATOM 543 CA VAL A 39 0.879 4.129 5.194 1.00 0.00 C ATOM 544 C VAL A 39 0.428 3.923 6.641 1.00 0.00 C ATOM 545 O VAL A 39 0.629 2.852 7.211 1.00 0.00 O ATOM 546 CB VAL A 39 -0.087 3.523 4.174 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.537 3.866 4.522 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.258 3.976 2.754 1.00 0.00 C ATOM 0 H VAL A 39 2.229 2.681 4.505 1.00 0.00 H new ATOM 0 HA VAL A 39 0.895 5.203 5.009 1.00 0.00 H new ATOM 0 HB VAL A 39 0.020 2.439 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.203 3.423 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.778 3.471 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.664 4.949 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.444 3.531 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.194 5.062 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.271 3.658 2.507 1.00 0.00 H new ATOM 558 N SER A 40 -0.173 4.966 7.194 1.00 0.00 N ATOM 559 CA SER A 40 -0.654 4.914 8.564 1.00 0.00 C ATOM 560 C SER A 40 -2.181 4.822 8.579 1.00 0.00 C ATOM 561 O SER A 40 -2.766 4.293 9.524 1.00 0.00 O ATOM 562 CB SER A 40 -0.188 6.135 9.359 1.00 0.00 C ATOM 563 OG SER A 40 -1.086 7.234 9.224 1.00 0.00 O ATOM 0 H SER A 40 -0.338 5.853 6.718 1.00 0.00 H new ATOM 0 HA SER A 40 -0.238 4.025 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.096 5.869 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.804 6.433 9.018 1.00 0.00 H new ATOM 0 HG SER A 40 -0.755 7.993 9.747 1.00 0.00 H new ATOM 569 N LEU A 41 -2.784 5.344 7.521 1.00 0.00 N ATOM 570 CA LEU A 41 -4.232 5.327 7.401 1.00 0.00 C ATOM 571 C LEU A 41 -4.617 5.349 5.920 1.00 0.00 C ATOM 572 O LEU A 41 -3.906 5.926 5.099 1.00 0.00 O ATOM 573 CB LEU A 41 -4.850 6.467 8.213 1.00 0.00 C ATOM 574 CG LEU A 41 -6.343 6.718 7.989 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.603 7.262 6.583 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.160 5.456 8.275 1.00 0.00 C ATOM 0 H LEU A 41 -2.296 5.781 6.739 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.638 4.408 7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.691 6.260 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.309 7.385 7.983 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.671 7.481 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.672 7.432 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.067 8.202 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.256 6.540 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.217 5.662 8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.837 4.655 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.009 5.151 9.311 1.00 0.00 H new ATOM 588 N VAL A 42 -5.741 4.712 5.624 1.00 0.00 N ATOM 589 CA VAL A 42 -6.228 4.651 4.257 1.00 0.00 C ATOM 590 C VAL A 42 -7.737 4.903 4.246 1.00 0.00 C ATOM 591 O VAL A 42 -8.500 4.156 4.857 1.00 0.00 O ATOM 592 CB VAL A 42 -5.842 3.313 3.623 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.794 2.952 2.481 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.390 3.334 3.141 1.00 0.00 C ATOM 0 H VAL A 42 -6.328 4.234 6.308 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.763 5.429 3.651 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.930 2.542 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.497 1.997 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.811 2.876 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.753 3.726 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.141 2.371 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.265 4.122 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.729 3.524 3.986 1.00 0.00 H new ATOM 604 N GLU A 43 -8.124 5.959 3.546 1.00 0.00 N ATOM 605 CA GLU A 43 -9.528 6.320 3.448 1.00 0.00 C ATOM 606 C GLU A 43 -10.295 5.256 2.660 1.00 0.00 C ATOM 607 O GLU A 43 -9.779 4.704 1.690 1.00 0.00 O ATOM 608 CB GLU A 43 -9.696 7.701 2.811 1.00 0.00 C ATOM 609 CG GLU A 43 -9.679 8.800 3.875 1.00 0.00 C ATOM 610 CD GLU A 43 -9.022 10.073 3.337 1.00 0.00 C ATOM 611 OE1 GLU A 43 -9.722 10.810 2.610 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.833 10.280 3.664 1.00 0.00 O ATOM 0 H GLU A 43 -7.489 6.577 3.041 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.942 6.368 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.895 7.874 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.635 7.739 2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.698 9.019 4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.138 8.451 4.755 1.00 0.00 H new ATOM 619 N PRO A 44 -11.548 4.993 3.119 1.00 0.00 N ATOM 620 CA PRO A 44 -12.392 4.005 2.468 1.00 0.00 C ATOM 621 C PRO A 44 -12.950 4.544 1.150 1.00 0.00 C ATOM 622 O PRO A 44 -12.928 5.750 0.908 1.00 0.00 O ATOM 623 CB PRO A 44 -13.475 3.682 3.484 1.00 0.00 C ATOM 624 CG PRO A 44 -13.470 4.832 4.478 1.00 0.00 C ATOM 625 CD PRO A 44 -12.193 5.627 4.265 1.00 0.00 C ATOM 0 HA PRO A 44 -11.846 3.104 2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.448 3.587 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.273 2.734 3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.344 5.467 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.518 4.454 5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.409 6.677 4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.554 5.594 5.147 1.00 0.00 H new ATOM 633 N GLY A 45 -13.438 3.624 0.330 1.00 0.00 N ATOM 634 CA GLY A 45 -14.002 3.992 -0.957 1.00 0.00 C ATOM 635 C GLY A 45 -13.201 5.124 -1.603 1.00 0.00 C ATOM 636 O GLY A 45 -13.752 5.934 -2.347 1.00 0.00 O ATOM 0 H GLY A 45 -13.454 2.624 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.009 3.124 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.039 4.303 -0.828 1.00 0.00 H new ATOM 640 N SER A 46 -11.912 5.146 -1.294 1.00 0.00 N ATOM 641 CA SER A 46 -11.030 6.165 -1.835 1.00 0.00 C ATOM 642 C SER A 46 -10.248 5.604 -3.024 1.00 0.00 C ATOM 643 O SER A 46 -10.336 4.414 -3.323 1.00 0.00 O ATOM 644 CB SER A 46 -10.068 6.685 -0.765 1.00 0.00 C ATOM 645 OG SER A 46 -8.843 5.957 -0.750 1.00 0.00 O ATOM 0 H SER A 46 -11.458 4.474 -0.676 1.00 0.00 H new ATOM 0 HA SER A 46 -11.642 7.001 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.861 7.740 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.543 6.616 0.214 1.00 0.00 H new ATOM 0 HG SER A 46 -8.829 5.357 0.025 1.00 0.00 H new ATOM 651 N LEU A 47 -9.501 6.487 -3.671 1.00 0.00 N ATOM 652 CA LEU A 47 -8.705 6.094 -4.821 1.00 0.00 C ATOM 653 C LEU A 47 -7.568 5.179 -4.360 1.00 0.00 C ATOM 654 O LEU A 47 -7.423 4.064 -4.858 1.00 0.00 O ATOM 655 CB LEU A 47 -8.227 7.328 -5.589 1.00 0.00 C ATOM 656 CG LEU A 47 -7.435 7.057 -6.869 1.00 0.00 C ATOM 657 CD1 LEU A 47 -8.053 5.904 -7.663 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.302 8.327 -7.712 1.00 0.00 C ATOM 0 H LEU A 47 -9.430 7.473 -3.420 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.310 5.523 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.098 7.932 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.608 7.929 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.427 6.751 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.471 5.732 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.051 5.000 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.078 6.157 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.735 8.106 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.294 8.688 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.783 9.093 -7.136 1.00 0.00 H new ATOM 670 N ALA A 48 -6.791 5.685 -3.413 1.00 0.00 N ATOM 671 CA ALA A 48 -5.672 4.927 -2.880 1.00 0.00 C ATOM 672 C ALA A 48 -6.112 3.483 -2.632 1.00 0.00 C ATOM 673 O ALA A 48 -5.622 2.561 -3.282 1.00 0.00 O ATOM 674 CB ALA A 48 -5.155 5.606 -1.609 1.00 0.00 C ATOM 0 H ALA A 48 -6.914 6.610 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.849 4.903 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.315 5.038 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.828 6.619 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.953 5.646 -0.867 1.00 0.00 H new ATOM 680 N GLU A 49 -7.031 3.331 -1.690 1.00 0.00 N ATOM 681 CA GLU A 49 -7.543 2.015 -1.348 1.00 0.00 C ATOM 682 C GLU A 49 -7.982 1.272 -2.611 1.00 0.00 C ATOM 683 O GLU A 49 -7.959 0.043 -2.653 1.00 0.00 O ATOM 684 CB GLU A 49 -8.692 2.117 -0.344 1.00 0.00 C ATOM 685 CG GLU A 49 -9.218 0.730 0.031 1.00 0.00 C ATOM 686 CD GLU A 49 -9.212 0.533 1.548 1.00 0.00 C ATOM 687 OE1 GLU A 49 -10.202 0.962 2.179 1.00 0.00 O ATOM 688 OE2 GLU A 49 -8.219 -0.043 2.042 1.00 0.00 O ATOM 0 H GLU A 49 -7.435 4.098 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.742 1.447 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.351 2.635 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.499 2.713 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.231 0.606 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.603 -0.036 -0.441 1.00 0.00 H new ATOM 695 N LYS A 50 -8.373 2.049 -3.611 1.00 0.00 N ATOM 696 CA LYS A 50 -8.818 1.480 -4.872 1.00 0.00 C ATOM 697 C LYS A 50 -7.598 1.082 -5.705 1.00 0.00 C ATOM 698 O LYS A 50 -7.659 0.136 -6.488 1.00 0.00 O ATOM 699 CB LYS A 50 -9.766 2.443 -5.590 1.00 0.00 C ATOM 700 CG LYS A 50 -11.212 2.227 -5.139 1.00 0.00 C ATOM 701 CD LYS A 50 -12.173 3.107 -5.940 1.00 0.00 C ATOM 702 CE LYS A 50 -13.464 3.361 -5.160 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.166 4.551 -5.691 1.00 0.00 N ATOM 0 H LYS A 50 -8.391 3.068 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.396 0.572 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.468 3.472 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.692 2.296 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.483 1.179 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.304 2.455 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.692 4.057 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.407 2.626 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.114 2.488 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.235 3.508 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.040 4.709 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.550 5.385 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.402 4.397 -6.692 1.00 0.00 H new ATOM 717 N GLU A 51 -6.519 1.825 -5.508 1.00 0.00 N ATOM 718 CA GLU A 51 -5.287 1.562 -6.231 1.00 0.00 C ATOM 719 C GLU A 51 -4.561 0.360 -5.624 1.00 0.00 C ATOM 720 O GLU A 51 -3.680 -0.222 -6.255 1.00 0.00 O ATOM 721 CB GLU A 51 -4.384 2.797 -6.245 1.00 0.00 C ATOM 722 CG GLU A 51 -5.048 3.952 -6.998 1.00 0.00 C ATOM 723 CD GLU A 51 -5.439 3.530 -8.416 1.00 0.00 C ATOM 724 OE1 GLU A 51 -4.585 3.696 -9.313 1.00 0.00 O ATOM 725 OE2 GLU A 51 -6.583 3.051 -8.569 1.00 0.00 O ATOM 0 H GLU A 51 -6.473 2.609 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.540 1.326 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.164 3.103 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.432 2.551 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.934 4.282 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.366 4.801 -7.043 1.00 0.00 H new ATOM 732 N GLY A 52 -4.958 0.023 -4.406 1.00 0.00 N ATOM 733 CA GLY A 52 -4.357 -1.100 -3.706 1.00 0.00 C ATOM 734 C GLY A 52 -3.760 -0.657 -2.369 1.00 0.00 C ATOM 735 O GLY A 52 -3.594 -1.468 -1.460 1.00 0.00 O ATOM 0 H GLY A 52 -5.689 0.508 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.108 -1.871 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.579 -1.545 -4.326 1.00 0.00 H new ATOM 739 N LEU A 53 -3.455 0.630 -2.291 1.00 0.00 N ATOM 740 CA LEU A 53 -2.881 1.192 -1.080 1.00 0.00 C ATOM 741 C LEU A 53 -3.623 0.636 0.136 1.00 0.00 C ATOM 742 O LEU A 53 -4.747 0.150 0.014 1.00 0.00 O ATOM 743 CB LEU A 53 -2.872 2.720 -1.150 1.00 0.00 C ATOM 744 CG LEU A 53 -1.541 3.399 -0.820 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.573 3.312 -2.002 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.760 4.842 -0.363 1.00 0.00 C ATOM 0 H LEU A 53 -3.595 1.300 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.837 0.895 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.171 3.020 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.630 3.100 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.082 2.865 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.365 3.802 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.382 2.265 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.012 3.806 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.798 5.301 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.252 5.404 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.387 4.850 0.529 1.00 0.00 H new ATOM 758 N ARG A 54 -2.965 0.725 1.283 1.00 0.00 N ATOM 759 CA ARG A 54 -3.549 0.237 2.521 1.00 0.00 C ATOM 760 C ARG A 54 -2.514 0.272 3.646 1.00 0.00 C ATOM 761 O ARG A 54 -1.327 0.050 3.410 1.00 0.00 O ATOM 762 CB ARG A 54 -4.069 -1.193 2.359 1.00 0.00 C ATOM 763 CG ARG A 54 -5.598 -1.219 2.312 1.00 0.00 C ATOM 764 CD ARG A 54 -6.096 -1.867 1.018 1.00 0.00 C ATOM 765 NE ARG A 54 -7.117 -2.892 1.326 1.00 0.00 N ATOM 766 CZ ARG A 54 -7.567 -3.794 0.443 1.00 0.00 C ATOM 767 NH1 ARG A 54 -7.088 -3.802 -0.809 1.00 0.00 N ATOM 768 NH2 ARG A 54 -8.496 -4.687 0.811 1.00 0.00 N ATOM 0 H ARG A 54 -2.033 1.128 1.381 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.386 0.889 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.666 -1.629 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.717 -1.808 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.982 -1.770 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.985 -0.203 2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.518 -1.107 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.261 -2.322 0.485 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.503 -2.914 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.381 -3.122 -1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.430 -4.488 -1.482 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.861 -4.680 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.838 -5.373 0.139 1.00 0.00 H new ATOM 782 N VAL A 55 -3.000 0.552 4.847 1.00 0.00 N ATOM 783 CA VAL A 55 -2.131 0.619 6.009 1.00 0.00 C ATOM 784 C VAL A 55 -1.269 -0.644 6.069 1.00 0.00 C ATOM 785 O VAL A 55 -1.783 -1.741 6.281 1.00 0.00 O ATOM 786 CB VAL A 55 -2.965 0.834 7.274 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.107 0.671 8.530 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.650 2.202 7.252 1.00 0.00 C ATOM 0 H VAL A 55 -3.985 0.735 5.040 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.455 1.471 5.932 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.742 0.070 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.724 0.829 9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.686 -0.334 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.299 1.402 8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.236 2.330 8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.895 2.986 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.307 2.266 6.385 1.00 0.00 H new ATOM 798 N GLY A 56 0.027 -0.447 5.880 1.00 0.00 N ATOM 799 CA GLY A 56 0.965 -1.557 5.910 1.00 0.00 C ATOM 800 C GLY A 56 1.928 -1.493 4.722 1.00 0.00 C ATOM 801 O GLY A 56 3.048 -1.995 4.800 1.00 0.00 O ATOM 0 H GLY A 56 0.450 0.465 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.530 -1.536 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.419 -2.500 5.890 1.00 0.00 H new ATOM 805 N ASP A 57 1.456 -0.872 3.651 1.00 0.00 N ATOM 806 CA ASP A 57 2.261 -0.737 2.449 1.00 0.00 C ATOM 807 C ASP A 57 3.579 -0.043 2.799 1.00 0.00 C ATOM 808 O ASP A 57 3.748 0.452 3.913 1.00 0.00 O ATOM 809 CB ASP A 57 1.543 0.114 1.399 1.00 0.00 C ATOM 810 CG ASP A 57 1.641 1.626 1.614 1.00 0.00 C ATOM 811 OD1 ASP A 57 2.003 2.015 2.746 1.00 0.00 O ATOM 812 OD2 ASP A 57 1.352 2.357 0.643 1.00 0.00 O ATOM 0 H ASP A 57 0.526 -0.457 3.591 1.00 0.00 H new ATOM 0 HA ASP A 57 2.437 -1.735 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.952 -0.125 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.490 -0.168 1.383 1.00 0.00 H new ATOM 817 N GLN A 58 4.480 -0.029 1.827 1.00 0.00 N ATOM 818 CA GLN A 58 5.777 0.595 2.019 1.00 0.00 C ATOM 819 C GLN A 58 6.070 1.571 0.877 1.00 0.00 C ATOM 820 O GLN A 58 6.241 1.158 -0.269 1.00 0.00 O ATOM 821 CB GLN A 58 6.881 -0.459 2.136 1.00 0.00 C ATOM 822 CG GLN A 58 8.243 0.198 2.371 1.00 0.00 C ATOM 823 CD GLN A 58 9.264 -0.824 2.874 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.112 -0.341 3.779 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.282 -1.975 2.469 1.00 0.00 N flip ATOM 0 H GLN A 58 4.337 -0.440 0.905 1.00 0.00 H new ATOM 0 HA GLN A 58 5.754 1.155 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.654 -1.139 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.914 -1.058 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.599 0.647 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.142 1.004 3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.602 -2.281 1.773 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.977 -2.631 2.826 1.00 0.00 H new ATOM 834 N ILE A 59 6.120 2.847 1.230 1.00 0.00 N ATOM 835 CA ILE A 59 6.389 3.885 0.250 1.00 0.00 C ATOM 836 C ILE A 59 7.886 3.905 -0.067 1.00 0.00 C ATOM 837 O ILE A 59 8.655 4.601 0.594 1.00 0.00 O ATOM 838 CB ILE A 59 5.845 5.231 0.731 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.414 5.088 1.256 1.00 0.00 C ATOM 840 CG2 ILE A 59 5.948 6.289 -0.369 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.422 4.915 0.104 1.00 0.00 C ATOM 0 H ILE A 59 5.979 3.186 2.182 1.00 0.00 H new ATOM 0 HA ILE A 59 5.867 3.672 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 59 6.462 5.571 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.353 4.230 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.148 5.968 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.554 7.236 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.992 6.416 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.371 5.969 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.413 4.816 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.469 5.786 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.677 4.020 -0.464 1.00 0.00 H new ATOM 853 N LEU A 60 8.255 3.133 -1.079 1.00 0.00 N ATOM 854 CA LEU A 60 9.646 3.053 -1.491 1.00 0.00 C ATOM 855 C LEU A 60 10.080 4.401 -2.070 1.00 0.00 C ATOM 856 O LEU A 60 10.970 5.055 -1.529 1.00 0.00 O ATOM 857 CB LEU A 60 9.855 1.877 -2.448 1.00 0.00 C ATOM 858 CG LEU A 60 9.349 0.518 -1.960 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.313 -0.496 -3.105 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.178 0.017 -0.776 1.00 0.00 C ATOM 0 H LEU A 60 7.615 2.557 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 60 10.287 2.853 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.361 2.109 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.921 1.791 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 60 8.325 0.641 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.950 -1.454 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.647 -0.136 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.317 -0.622 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.797 -0.951 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.220 -0.087 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.108 0.731 0.045 1.00 0.00 H new ATOM 872 N ARG A 61 9.430 4.777 -3.162 1.00 0.00 N ATOM 873 CA ARG A 61 9.737 6.036 -3.820 1.00 0.00 C ATOM 874 C ARG A 61 8.490 6.920 -3.882 1.00 0.00 C ATOM 875 O ARG A 61 7.382 6.458 -3.614 1.00 0.00 O ATOM 876 CB ARG A 61 10.260 5.802 -5.239 1.00 0.00 C ATOM 877 CG ARG A 61 11.766 5.534 -5.231 1.00 0.00 C ATOM 878 CD ARG A 61 12.195 4.778 -6.490 1.00 0.00 C ATOM 879 NE ARG A 61 12.637 5.735 -7.529 1.00 0.00 N ATOM 880 CZ ARG A 61 13.283 5.383 -8.649 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.568 4.094 -8.881 1.00 0.00 N ATOM 882 NH2 ARG A 61 13.645 6.319 -9.536 1.00 0.00 N ATOM 0 H ARG A 61 8.692 4.232 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 61 10.511 6.535 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.739 4.956 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.045 6.673 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.307 6.478 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.031 4.955 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.004 4.088 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.365 4.179 -6.865 1.00 0.00 H new ATOM 0 HE ARG A 61 12.437 6.725 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.293 3.381 -8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.060 3.826 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.429 7.300 -9.359 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.137 6.051 -10.388 1.00 0.00 H new ATOM 896 N VAL A 62 8.713 8.177 -4.238 1.00 0.00 N ATOM 897 CA VAL A 62 7.621 9.130 -4.339 1.00 0.00 C ATOM 898 C VAL A 62 7.883 10.077 -5.513 1.00 0.00 C ATOM 899 O VAL A 62 8.825 10.867 -5.479 1.00 0.00 O ATOM 900 CB VAL A 62 7.442 9.864 -3.008 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.582 10.857 -2.771 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.083 10.564 -2.947 1.00 0.00 C ATOM 0 H VAL A 62 9.633 8.557 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 62 6.682 8.615 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 62 7.473 9.123 -2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.430 11.365 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.532 10.322 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.597 11.592 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.981 11.078 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.010 11.288 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.288 9.825 -3.048 1.00 0.00 H new ATOM 912 N ASN A 63 7.033 9.965 -6.522 1.00 0.00 N ATOM 913 CA ASN A 63 7.161 10.801 -7.704 1.00 0.00 C ATOM 914 C ASN A 63 8.387 10.360 -8.505 1.00 0.00 C ATOM 915 O ASN A 63 8.260 9.907 -9.642 1.00 0.00 O ATOM 916 CB ASN A 63 7.350 12.271 -7.322 1.00 0.00 C ATOM 917 CG ASN A 63 6.661 13.192 -8.330 1.00 0.00 C ATOM 918 OD1 ASN A 63 5.746 13.994 -7.793 1.00 0.00 O flip ATOM 919 ND2 ASN A 63 6.942 13.177 -9.517 1.00 0.00 N flip ATOM 0 H ASN A 63 6.253 9.308 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 63 6.249 10.695 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.943 12.447 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.414 12.505 -7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.655 12.536 -9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.464 13.806 -10.162 1.00 0.00 H new ATOM 926 N ASP A 64 9.547 10.507 -7.881 1.00 0.00 N ATOM 927 CA ASP A 64 10.795 10.130 -8.522 1.00 0.00 C ATOM 928 C ASP A 64 11.854 9.867 -7.450 1.00 0.00 C ATOM 929 O ASP A 64 12.579 8.875 -7.519 1.00 0.00 O ATOM 930 CB ASP A 64 11.309 11.249 -9.430 1.00 0.00 C ATOM 931 CG ASP A 64 12.648 10.965 -10.112 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.877 9.781 -10.443 1.00 0.00 O ATOM 933 OD2 ASP A 64 13.414 11.937 -10.287 1.00 0.00 O ATOM 0 H ASP A 64 9.648 10.882 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 64 10.611 9.237 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.561 11.445 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.405 12.160 -8.839 1.00 0.00 H new ATOM 938 N LYS A 65 11.910 10.772 -6.484 1.00 0.00 N ATOM 939 CA LYS A 65 12.869 10.650 -5.399 1.00 0.00 C ATOM 940 C LYS A 65 12.510 9.435 -4.541 1.00 0.00 C ATOM 941 O LYS A 65 11.341 9.064 -4.443 1.00 0.00 O ATOM 942 CB LYS A 65 12.953 11.957 -4.609 1.00 0.00 C ATOM 943 CG LYS A 65 13.631 13.054 -5.433 1.00 0.00 C ATOM 944 CD LYS A 65 12.710 14.265 -5.597 1.00 0.00 C ATOM 945 CE LYS A 65 12.009 14.241 -6.956 1.00 0.00 C ATOM 946 NZ LYS A 65 11.656 15.614 -7.382 1.00 0.00 N ATOM 0 H LYS A 65 11.307 11.593 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 65 13.870 10.478 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.951 12.278 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.510 11.793 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.557 13.360 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.901 12.663 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.966 14.271 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.290 15.183 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.659 13.779 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.109 13.630 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.181 15.579 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.018 16.042 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.521 16.187 -7.458 1.00 0.00 H new ATOM 960 N SER A 66 13.536 8.849 -3.942 1.00 0.00 N ATOM 961 CA SER A 66 13.344 7.684 -3.096 1.00 0.00 C ATOM 962 C SER A 66 13.487 8.077 -1.624 1.00 0.00 C ATOM 963 O SER A 66 14.465 8.716 -1.241 1.00 0.00 O ATOM 964 CB SER A 66 14.338 6.576 -3.449 1.00 0.00 C ATOM 965 OG SER A 66 14.483 6.418 -4.858 1.00 0.00 O ATOM 0 H SER A 66 14.504 9.160 -4.026 1.00 0.00 H new ATOM 0 HA SER A 66 12.338 7.300 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.308 6.805 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.003 5.636 -3.011 1.00 0.00 H new ATOM 0 HG SER A 66 15.127 5.703 -5.042 1.00 0.00 H new ATOM 971 N LEU A 67 12.497 7.677 -0.839 1.00 0.00 N ATOM 972 CA LEU A 67 12.501 7.979 0.582 1.00 0.00 C ATOM 973 C LEU A 67 13.196 6.846 1.338 1.00 0.00 C ATOM 974 O LEU A 67 12.686 6.365 2.349 1.00 0.00 O ATOM 975 CB LEU A 67 11.080 8.265 1.073 1.00 0.00 C ATOM 976 CG LEU A 67 10.192 9.071 0.123 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.722 8.981 0.537 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.671 10.521 0.022 1.00 0.00 C ATOM 0 H LEU A 67 11.687 7.147 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 67 13.070 8.888 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.589 7.314 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.145 8.801 2.020 1.00 0.00 H new ATOM 0 HG LEU A 67 10.273 8.635 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.113 9.563 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.401 7.940 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.603 9.377 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.023 11.072 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.638 10.984 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.694 10.541 -0.355 1.00 0.00 H new ATOM 990 N ALA A 68 14.350 6.451 0.820 1.00 0.00 N ATOM 991 CA ALA A 68 15.121 5.383 1.433 1.00 0.00 C ATOM 992 C ALA A 68 15.169 5.600 2.947 1.00 0.00 C ATOM 993 O ALA A 68 14.693 4.763 3.713 1.00 0.00 O ATOM 994 CB ALA A 68 16.515 5.335 0.807 1.00 0.00 C ATOM 0 H ALA A 68 14.770 6.852 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 68 14.650 4.417 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.093 4.534 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.427 5.150 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.020 6.287 0.971 1.00 0.00 H new ATOM 1000 N ARG A 69 15.747 6.728 3.333 1.00 0.00 N ATOM 1001 CA ARG A 69 15.863 7.065 4.742 1.00 0.00 C ATOM 1002 C ARG A 69 15.797 8.582 4.932 1.00 0.00 C ATOM 1003 O ARG A 69 16.824 9.258 4.921 1.00 0.00 O ATOM 1004 CB ARG A 69 17.177 6.542 5.327 1.00 0.00 C ATOM 1005 CG ARG A 69 16.917 5.612 6.514 1.00 0.00 C ATOM 1006 CD ARG A 69 17.910 4.449 6.527 1.00 0.00 C ATOM 1007 NE ARG A 69 18.739 4.504 7.752 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.786 5.324 7.914 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.139 6.162 6.930 1.00 0.00 N ATOM 1010 NH2 ARG A 69 20.480 5.306 9.060 1.00 0.00 N ATOM 0 H ARG A 69 16.140 7.420 2.695 1.00 0.00 H new ATOM 0 HA ARG A 69 15.032 6.593 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.735 6.008 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.796 7.380 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.997 6.174 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.899 5.225 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.373 3.501 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.548 4.495 5.644 1.00 0.00 H new ATOM 0 HE ARG A 69 18.498 3.879 8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.611 6.176 6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.936 6.786 7.053 1.00 0.00 H new ATOM 0 HH21 ARG A 69 20.211 4.668 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.277 5.930 9.183 1.00 0.00 H new ATOM 1024 N VAL A 70 14.577 9.072 5.102 1.00 0.00 N ATOM 1025 CA VAL A 70 14.363 10.496 5.295 1.00 0.00 C ATOM 1026 C VAL A 70 13.355 10.708 6.426 1.00 0.00 C ATOM 1027 O VAL A 70 12.579 9.809 6.746 1.00 0.00 O ATOM 1028 CB VAL A 70 13.929 11.142 3.977 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.037 11.045 2.927 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.629 10.519 3.463 1.00 0.00 C ATOM 0 H VAL A 70 13.727 8.508 5.110 1.00 0.00 H new ATOM 0 HA VAL A 70 15.291 10.985 5.592 1.00 0.00 H new ATOM 0 HB VAL A 70 13.741 12.199 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.702 11.512 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.928 11.557 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.271 9.997 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.343 10.996 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.778 9.452 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.839 10.665 4.200 1.00 0.00 H new ATOM 1040 N THR A 71 13.400 11.901 6.999 1.00 0.00 N ATOM 1041 CA THR A 71 12.500 12.242 8.088 1.00 0.00 C ATOM 1042 C THR A 71 11.055 12.303 7.587 1.00 0.00 C ATOM 1043 O THR A 71 10.816 12.461 6.390 1.00 0.00 O ATOM 1044 CB THR A 71 12.984 13.554 8.708 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.215 14.403 7.588 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.360 13.419 9.364 1.00 0.00 C ATOM 0 H THR A 71 14.045 12.644 6.730 1.00 0.00 H new ATOM 0 HA THR A 71 12.510 11.476 8.864 1.00 0.00 H new ATOM 0 HB THR A 71 12.260 13.894 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.530 15.277 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.656 14.378 9.788 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.314 12.671 10.155 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.091 13.112 8.616 1.00 0.00 H new ATOM 1054 N HIS A 72 10.130 12.176 8.527 1.00 0.00 N ATOM 1055 CA HIS A 72 8.716 12.215 8.195 1.00 0.00 C ATOM 1056 C HIS A 72 8.411 13.483 7.396 1.00 0.00 C ATOM 1057 O HIS A 72 7.540 13.480 6.528 1.00 0.00 O ATOM 1058 CB HIS A 72 7.859 12.087 9.456 1.00 0.00 C ATOM 1059 CG HIS A 72 6.451 11.609 9.195 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.333 12.360 9.514 1.00 0.00 N ATOM 1061 CD2 HIS A 72 5.991 10.450 8.643 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.254 11.674 9.166 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.664 10.491 8.626 1.00 0.00 N ATOM 0 H HIS A 72 10.332 12.046 9.518 1.00 0.00 H new ATOM 0 HA HIS A 72 8.462 11.362 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.345 11.396 10.145 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.817 13.056 9.954 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.339 13.285 9.944 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.602 9.637 8.281 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.230 11.995 9.289 1.00 0.00 H new ATOM 1071 N ALA A 73 9.145 14.538 7.719 1.00 0.00 N ATOM 1072 CA ALA A 73 8.964 15.811 7.042 1.00 0.00 C ATOM 1073 C ALA A 73 9.422 15.681 5.588 1.00 0.00 C ATOM 1074 O ALA A 73 8.685 16.030 4.668 1.00 0.00 O ATOM 1075 CB ALA A 73 9.724 16.903 7.797 1.00 0.00 C ATOM 0 H ALA A 73 9.866 14.537 8.440 1.00 0.00 H new ATOM 0 HA ALA A 73 7.911 16.094 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.588 17.858 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.341 16.976 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.785 16.655 7.825 1.00 0.00 H new ATOM 1081 N GLU A 74 10.637 15.177 5.427 1.00 0.00 N ATOM 1082 CA GLU A 74 11.202 14.996 4.101 1.00 0.00 C ATOM 1083 C GLU A 74 10.237 14.205 3.216 1.00 0.00 C ATOM 1084 O GLU A 74 9.903 14.638 2.114 1.00 0.00 O ATOM 1085 CB GLU A 74 12.567 14.309 4.175 1.00 0.00 C ATOM 1086 CG GLU A 74 13.690 15.335 4.335 1.00 0.00 C ATOM 1087 CD GLU A 74 13.740 16.286 3.138 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.841 15.767 2.005 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.675 17.510 3.381 1.00 0.00 O ATOM 0 H GLU A 74 11.246 14.888 6.193 1.00 0.00 H new ATOM 0 HA GLU A 74 11.351 15.979 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.583 13.614 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.732 13.722 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.538 15.906 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.646 14.820 4.435 1.00 0.00 H new ATOM 1096 N ALA A 75 9.816 13.059 3.731 1.00 0.00 N ATOM 1097 CA ALA A 75 8.896 12.204 3.002 1.00 0.00 C ATOM 1098 C ALA A 75 7.667 13.017 2.591 1.00 0.00 C ATOM 1099 O ALA A 75 7.301 13.046 1.417 1.00 0.00 O ATOM 1100 CB ALA A 75 8.533 10.992 3.863 1.00 0.00 C ATOM 0 H ALA A 75 10.096 12.703 4.645 1.00 0.00 H new ATOM 0 HA ALA A 75 9.362 11.828 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.842 10.350 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.437 10.432 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.061 11.329 4.786 1.00 0.00 H new ATOM 1106 N VAL A 76 7.063 13.657 3.582 1.00 0.00 N ATOM 1107 CA VAL A 76 5.882 14.468 3.338 1.00 0.00 C ATOM 1108 C VAL A 76 6.199 15.513 2.266 1.00 0.00 C ATOM 1109 O VAL A 76 5.539 15.562 1.229 1.00 0.00 O ATOM 1110 CB VAL A 76 5.393 15.087 4.649 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.176 15.983 4.412 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.084 14.004 5.685 1.00 0.00 C ATOM 0 H VAL A 76 7.369 13.630 4.555 1.00 0.00 H new ATOM 0 HA VAL A 76 5.066 13.851 2.960 1.00 0.00 H new ATOM 0 HB VAL A 76 6.195 15.710 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.849 16.410 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.444 16.786 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.367 15.392 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.738 14.471 6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.308 13.343 5.300 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.986 13.426 5.887 1.00 0.00 H new ATOM 1122 N LYS A 77 7.208 16.322 2.552 1.00 0.00 N ATOM 1123 CA LYS A 77 7.620 17.362 1.625 1.00 0.00 C ATOM 1124 C LYS A 77 7.865 16.743 0.247 1.00 0.00 C ATOM 1125 O LYS A 77 7.829 17.441 -0.765 1.00 0.00 O ATOM 1126 CB LYS A 77 8.823 18.127 2.179 1.00 0.00 C ATOM 1127 CG LYS A 77 8.373 19.311 3.038 1.00 0.00 C ATOM 1128 CD LYS A 77 9.038 19.273 4.415 1.00 0.00 C ATOM 1129 CE LYS A 77 10.530 19.594 4.313 1.00 0.00 C ATOM 1130 NZ LYS A 77 11.114 19.778 5.660 1.00 0.00 N ATOM 0 H LYS A 77 7.753 16.278 3.413 1.00 0.00 H new ATOM 0 HA LYS A 77 6.829 18.102 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.442 17.456 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.441 18.485 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.623 20.245 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.289 19.291 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.553 19.990 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.904 18.287 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.047 18.787 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.674 20.498 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.084 20.143 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.537 20.455 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.132 18.865 6.158 1.00 0.00 H new ATOM 1144 N ALA A 78 8.107 15.441 0.254 1.00 0.00 N ATOM 1145 CA ALA A 78 8.358 14.720 -0.983 1.00 0.00 C ATOM 1146 C ALA A 78 7.023 14.339 -1.626 1.00 0.00 C ATOM 1147 O ALA A 78 6.873 14.415 -2.845 1.00 0.00 O ATOM 1148 CB ALA A 78 9.236 13.501 -0.695 1.00 0.00 C ATOM 0 H ALA A 78 8.135 14.866 1.096 1.00 0.00 H new ATOM 0 HA ALA A 78 8.897 15.349 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.424 12.961 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.184 13.828 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.727 12.844 0.011 1.00 0.00 H new ATOM 1154 N LEU A 79 6.088 13.938 -0.778 1.00 0.00 N ATOM 1155 CA LEU A 79 4.770 13.545 -1.248 1.00 0.00 C ATOM 1156 C LEU A 79 4.114 14.728 -1.962 1.00 0.00 C ATOM 1157 O LEU A 79 4.119 14.798 -3.190 1.00 0.00 O ATOM 1158 CB LEU A 79 3.936 12.982 -0.096 1.00 0.00 C ATOM 1159 CG LEU A 79 4.174 11.510 0.249 1.00 0.00 C ATOM 1160 CD1 LEU A 79 3.844 11.230 1.716 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.399 10.593 -0.699 1.00 0.00 C ATOM 0 H LEU A 79 6.217 13.877 0.232 1.00 0.00 H new ATOM 0 HA LEU A 79 4.850 12.738 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.133 13.579 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.882 13.111 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 79 5.233 11.294 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.022 10.177 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.477 11.845 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.797 11.468 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.585 9.553 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.333 10.803 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.726 10.769 -1.724 1.00 0.00 H new ATOM 1173 N LYS A 80 3.565 15.630 -1.162 1.00 0.00 N ATOM 1174 CA LYS A 80 2.907 16.808 -1.701 1.00 0.00 C ATOM 1175 C LYS A 80 1.807 16.372 -2.672 1.00 0.00 C ATOM 1176 O LYS A 80 1.489 15.187 -2.764 1.00 0.00 O ATOM 1177 CB LYS A 80 3.932 17.759 -2.321 1.00 0.00 C ATOM 1178 CG LYS A 80 4.063 19.039 -1.493 1.00 0.00 C ATOM 1179 CD LYS A 80 4.882 18.791 -0.225 1.00 0.00 C ATOM 1180 CE LYS A 80 5.151 20.101 0.519 1.00 0.00 C ATOM 1181 NZ LYS A 80 6.432 20.696 0.075 1.00 0.00 N ATOM 0 H LYS A 80 3.562 15.569 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 80 2.425 17.373 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.900 17.263 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.632 18.009 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.539 19.816 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.072 19.405 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.348 18.101 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.828 18.316 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.336 20.802 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.182 19.916 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.599 21.584 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.209 20.032 0.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.389 20.890 -0.946 1.00 0.00 H new ATOM 1195 N GLY A 81 1.257 17.353 -3.372 1.00 0.00 N ATOM 1196 CA GLY A 81 0.200 17.085 -4.333 1.00 0.00 C ATOM 1197 C GLY A 81 0.559 17.643 -5.712 1.00 0.00 C ATOM 1198 O GLY A 81 0.199 18.773 -6.041 1.00 0.00 O ATOM 0 H GLY A 81 1.523 18.335 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.032 16.010 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.732 17.531 -3.987 1.00 0.00 H new ATOM 1202 N SER A 82 1.262 16.826 -6.481 1.00 0.00 N ATOM 1203 CA SER A 82 1.673 17.224 -7.817 1.00 0.00 C ATOM 1204 C SER A 82 0.562 16.912 -8.821 1.00 0.00 C ATOM 1205 O SER A 82 -0.311 16.089 -8.550 1.00 0.00 O ATOM 1206 CB SER A 82 2.970 16.523 -8.226 1.00 0.00 C ATOM 1207 OG SER A 82 4.123 17.260 -7.830 1.00 0.00 O ATOM 0 H SER A 82 1.558 15.890 -6.205 1.00 0.00 H new ATOM 0 HA SER A 82 1.858 18.298 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.003 15.530 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.982 16.385 -9.307 1.00 0.00 H new ATOM 0 HG SER A 82 4.930 16.779 -8.108 1.00 0.00 H new ATOM 1213 N LYS A 83 0.630 17.586 -9.960 1.00 0.00 N ATOM 1214 CA LYS A 83 -0.360 17.391 -11.005 1.00 0.00 C ATOM 1215 C LYS A 83 -0.624 15.894 -11.178 1.00 0.00 C ATOM 1216 O LYS A 83 -1.713 15.496 -11.589 1.00 0.00 O ATOM 1217 CB LYS A 83 0.077 18.091 -12.294 1.00 0.00 C ATOM 1218 CG LYS A 83 1.497 17.679 -12.687 1.00 0.00 C ATOM 1219 CD LYS A 83 1.513 17.012 -14.064 1.00 0.00 C ATOM 1220 CE LYS A 83 2.696 17.505 -14.899 1.00 0.00 C ATOM 1221 NZ LYS A 83 2.219 18.287 -16.062 1.00 0.00 N ATOM 0 H LYS A 83 1.356 18.268 -10.182 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.307 17.852 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.614 17.842 -13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.032 19.172 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.145 18.556 -12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.900 16.993 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.572 15.930 -13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.581 17.226 -14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.352 18.121 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.286 16.655 -15.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.034 18.614 -16.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.612 17.688 -16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.675 19.109 -15.729 1.00 0.00 H new ATOM 1235 N LYS A 84 0.390 15.105 -10.857 1.00 0.00 N ATOM 1236 CA LYS A 84 0.281 13.661 -10.971 1.00 0.00 C ATOM 1237 C LYS A 84 1.481 13.006 -10.282 1.00 0.00 C ATOM 1238 O LYS A 84 2.529 12.821 -10.898 1.00 0.00 O ATOM 1239 CB LYS A 84 0.114 13.250 -12.436 1.00 0.00 C ATOM 1240 CG LYS A 84 -0.136 11.746 -12.559 1.00 0.00 C ATOM 1241 CD LYS A 84 0.027 11.280 -14.007 1.00 0.00 C ATOM 1242 CE LYS A 84 1.503 11.094 -14.360 1.00 0.00 C ATOM 1243 NZ LYS A 84 1.817 11.762 -15.643 1.00 0.00 N ATOM 0 H LYS A 84 1.292 15.439 -10.518 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.614 13.306 -10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.718 13.798 -12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.008 13.521 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.560 11.204 -11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.141 11.511 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.507 10.341 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.422 12.010 -14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.127 11.505 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.735 10.031 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.823 11.626 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.234 11.351 -16.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.614 12.779 -15.564 1.00 0.00 H new ATOM 1257 N LEU A 85 1.286 12.674 -9.015 1.00 0.00 N ATOM 1258 CA LEU A 85 2.339 12.045 -8.236 1.00 0.00 C ATOM 1259 C LEU A 85 2.261 10.527 -8.415 1.00 0.00 C ATOM 1260 O LEU A 85 1.172 9.965 -8.510 1.00 0.00 O ATOM 1261 CB LEU A 85 2.268 12.496 -6.776 1.00 0.00 C ATOM 1262 CG LEU A 85 3.026 11.630 -5.768 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.522 11.601 -6.086 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.754 12.090 -4.335 1.00 0.00 C ATOM 0 H LEU A 85 0.415 12.829 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 85 3.319 12.360 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.653 13.514 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.220 12.532 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 85 2.659 10.607 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.037 10.979 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.674 11.190 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.922 12.614 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.305 11.457 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.076 13.125 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.687 12.016 -4.126 1.00 0.00 H new ATOM 1276 N VAL A 86 3.432 9.908 -8.454 1.00 0.00 N ATOM 1277 CA VAL A 86 3.511 8.466 -8.620 1.00 0.00 C ATOM 1278 C VAL A 86 4.018 7.835 -7.322 1.00 0.00 C ATOM 1279 O VAL A 86 5.208 7.906 -7.017 1.00 0.00 O ATOM 1280 CB VAL A 86 4.381 8.125 -9.831 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.781 6.649 -9.820 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.672 8.492 -11.136 1.00 0.00 C ATOM 0 H VAL A 86 4.334 10.378 -8.374 1.00 0.00 H new ATOM 0 HA VAL A 86 2.524 8.050 -8.820 1.00 0.00 H new ATOM 0 HB VAL A 86 5.293 8.719 -9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.399 6.433 -10.692 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.345 6.431 -8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.885 6.029 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.312 8.239 -11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.737 7.937 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.461 9.561 -11.147 1.00 0.00 H new ATOM 1292 N LEU A 87 3.091 7.232 -6.592 1.00 0.00 N ATOM 1293 CA LEU A 87 3.430 6.589 -5.334 1.00 0.00 C ATOM 1294 C LEU A 87 4.063 5.225 -5.618 1.00 0.00 C ATOM 1295 O LEU A 87 3.430 4.354 -6.212 1.00 0.00 O ATOM 1296 CB LEU A 87 2.205 6.520 -4.421 1.00 0.00 C ATOM 1297 CG LEU A 87 1.531 7.856 -4.101 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.521 8.830 -3.459 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.870 8.448 -5.347 1.00 0.00 C ATOM 0 H LEU A 87 2.105 7.175 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 87 4.170 7.178 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.467 5.865 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.502 6.051 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 87 0.741 7.674 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.016 9.771 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.904 8.402 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.349 9.012 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.398 9.397 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.625 8.613 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.115 7.757 -5.722 1.00 0.00 H new ATOM 1311 N SER A 88 5.306 5.082 -5.180 1.00 0.00 N ATOM 1312 CA SER A 88 6.031 3.839 -5.379 1.00 0.00 C ATOM 1313 C SER A 88 5.923 2.964 -4.129 1.00 0.00 C ATOM 1314 O SER A 88 6.548 3.252 -3.110 1.00 0.00 O ATOM 1315 CB SER A 88 7.500 4.106 -5.715 1.00 0.00 C ATOM 1316 OG SER A 88 7.698 4.322 -7.110 1.00 0.00 O ATOM 0 H SER A 88 5.829 5.807 -4.688 1.00 0.00 H new ATOM 0 HA SER A 88 5.583 3.313 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.846 4.978 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.106 3.260 -5.389 1.00 0.00 H new ATOM 0 HG SER A 88 8.596 4.022 -7.363 1.00 0.00 H new ATOM 1322 N VAL A 89 5.125 1.913 -4.249 1.00 0.00 N ATOM 1323 CA VAL A 89 4.927 0.994 -3.141 1.00 0.00 C ATOM 1324 C VAL A 89 5.257 -0.429 -3.599 1.00 0.00 C ATOM 1325 O VAL A 89 5.081 -0.764 -4.769 1.00 0.00 O ATOM 1326 CB VAL A 89 3.505 1.131 -2.595 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.411 2.285 -1.594 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.496 1.308 -3.731 1.00 0.00 C ATOM 0 H VAL A 89 4.608 1.678 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 89 5.601 1.236 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 89 3.258 0.209 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.390 2.361 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.089 2.100 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.687 3.217 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.493 1.403 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.740 2.206 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.535 0.441 -4.390 1.00 0.00 H new ATOM 1338 N TYR A 90 5.729 -1.226 -2.652 1.00 0.00 N ATOM 1339 CA TYR A 90 6.085 -2.605 -2.944 1.00 0.00 C ATOM 1340 C TYR A 90 4.960 -3.559 -2.537 1.00 0.00 C ATOM 1341 O TYR A 90 4.714 -3.762 -1.349 1.00 0.00 O ATOM 1342 CB TYR A 90 7.325 -2.907 -2.100 1.00 0.00 C ATOM 1343 CG TYR A 90 7.475 -4.382 -1.722 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.651 -5.333 -2.707 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.435 -4.762 -0.396 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.793 -6.721 -2.352 1.00 0.00 C ATOM 1347 CE2 TYR A 90 7.577 -6.150 -0.040 1.00 0.00 C ATOM 1348 CZ TYR A 90 7.749 -7.061 -1.036 1.00 0.00 C ATOM 1349 OH TYR A 90 7.882 -8.372 -0.699 1.00 0.00 O ATOM 0 H TYR A 90 5.873 -0.944 -1.682 1.00 0.00 H new ATOM 0 HA TYR A 90 6.263 -2.739 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.212 -2.591 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.286 -2.311 -1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.682 -5.036 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.297 -4.018 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.931 -7.475 -3.113 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.548 -6.461 0.994 1.00 0.00 H new ATOM 0 HH TYR A 90 7.832 -8.466 0.275 1.00 0.00 H new ATOM 1359 N SER A 91 4.309 -4.119 -3.545 1.00 0.00 N ATOM 1360 CA SER A 91 3.216 -5.047 -3.307 1.00 0.00 C ATOM 1361 C SER A 91 3.763 -6.465 -3.133 1.00 0.00 C ATOM 1362 O SER A 91 4.714 -6.855 -3.809 1.00 0.00 O ATOM 1363 CB SER A 91 2.200 -5.006 -4.450 1.00 0.00 C ATOM 1364 OG SER A 91 1.035 -5.773 -4.156 1.00 0.00 O ATOM 0 H SER A 91 4.517 -3.948 -4.529 1.00 0.00 H new ATOM 0 HA SER A 91 2.705 -4.747 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.914 -3.972 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.663 -5.385 -5.361 1.00 0.00 H new ATOM 0 HG SER A 91 0.410 -5.720 -4.909 1.00 0.00 H new ATOM 1370 N ALA A 92 3.138 -7.199 -2.224 1.00 0.00 N ATOM 1371 CA ALA A 92 3.550 -8.566 -1.953 1.00 0.00 C ATOM 1372 C ALA A 92 2.350 -9.364 -1.440 1.00 0.00 C ATOM 1373 O ALA A 92 1.293 -8.796 -1.166 1.00 0.00 O ATOM 1374 CB ALA A 92 4.714 -8.561 -0.961 1.00 0.00 C ATOM 0 H ALA A 92 2.349 -6.873 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 92 3.901 -9.049 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.023 -9.586 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.551 -8.007 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.398 -8.086 -0.032 1.00 0.00 H new ATOM 1380 N GLY A 93 2.552 -10.668 -1.325 1.00 0.00 N ATOM 1381 CA GLY A 93 1.499 -11.549 -0.850 1.00 0.00 C ATOM 1382 C GLY A 93 0.194 -11.304 -1.609 1.00 0.00 C ATOM 1383 O GLY A 93 -0.713 -10.650 -1.096 1.00 0.00 O ATOM 0 H GLY A 93 3.429 -11.136 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.806 -12.588 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.339 -11.388 0.216 1.00 0.00 H new ATOM 1387 N ARG A 94 0.140 -11.840 -2.819 1.00 0.00 N ATOM 1388 CA ARG A 94 -1.040 -11.687 -3.654 1.00 0.00 C ATOM 1389 C ARG A 94 -1.256 -10.213 -4.001 1.00 0.00 C ATOM 1390 O ARG A 94 -0.693 -9.330 -3.356 1.00 0.00 O ATOM 1391 CB ARG A 94 -2.286 -12.227 -2.950 1.00 0.00 C ATOM 1392 CG ARG A 94 -2.569 -13.672 -3.367 1.00 0.00 C ATOM 1393 CD ARG A 94 -3.643 -13.729 -4.455 1.00 0.00 C ATOM 1394 NE ARG A 94 -4.069 -15.130 -4.672 1.00 0.00 N ATOM 1395 CZ ARG A 94 -4.954 -15.774 -3.900 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -5.511 -15.149 -2.854 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -5.281 -17.045 -4.172 1.00 0.00 N ATOM 0 H ARG A 94 0.894 -12.381 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.877 -12.259 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.148 -12.177 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.145 -11.600 -3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.652 -14.135 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.894 -14.247 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.499 -13.121 -4.165 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.255 -13.310 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.663 -15.637 -5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.261 -14.182 -2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.185 -15.640 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.856 -17.522 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.955 -17.535 -3.584 1.00 0.00 H new ATOM 1411 N ILE A 95 -2.075 -9.992 -5.019 1.00 0.00 N ATOM 1412 CA ILE A 95 -2.373 -8.640 -5.460 1.00 0.00 C ATOM 1413 C ILE A 95 -3.630 -8.141 -4.745 1.00 0.00 C ATOM 1414 O ILE A 95 -4.531 -8.924 -4.446 1.00 0.00 O ATOM 1415 CB ILE A 95 -2.470 -8.583 -6.986 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -2.379 -7.141 -7.488 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -3.738 -9.283 -7.481 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -0.929 -6.756 -7.787 1.00 0.00 C ATOM 0 H ILE A 95 -2.541 -10.727 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.562 -7.964 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.620 -9.123 -7.403 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.983 -7.027 -8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.792 -6.465 -6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.783 -9.228 -8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.722 -10.328 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.614 -8.792 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.892 -5.726 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.333 -6.848 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.527 -7.419 -8.553 1.00 0.00 H new ATOM 1430 N SER A 96 -3.651 -6.841 -4.491 1.00 0.00 N ATOM 1431 CA SER A 96 -4.782 -6.228 -3.816 1.00 0.00 C ATOM 1432 C SER A 96 -6.091 -6.737 -4.422 1.00 0.00 C ATOM 1433 O SER A 96 -6.909 -7.338 -3.727 1.00 0.00 O ATOM 1434 CB SER A 96 -4.715 -4.702 -3.903 1.00 0.00 C ATOM 1435 OG SER A 96 -4.543 -4.251 -5.244 1.00 0.00 O ATOM 0 H SER A 96 -2.902 -6.195 -4.741 1.00 0.00 H new ATOM 0 HA SER A 96 -4.744 -6.507 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.629 -4.275 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.890 -4.340 -3.290 1.00 0.00 H new ATOM 0 HG SER A 96 -4.666 -3.279 -5.281 1.00 0.00 H new ATOM 1441 N GLY A 97 -6.249 -6.479 -5.712 1.00 0.00 N ATOM 1442 CA GLY A 97 -7.445 -6.903 -6.420 1.00 0.00 C ATOM 1443 C GLY A 97 -7.127 -7.246 -7.877 1.00 0.00 C ATOM 1444 O GLY A 97 -6.129 -6.781 -8.424 1.00 0.00 O ATOM 0 H GLY A 97 -5.568 -5.981 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.877 -7.772 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.193 -6.111 -6.384 1.00 0.00 H new ATOM 1448 N PRO A 98 -8.018 -8.080 -8.478 1.00 0.00 N ATOM 1449 CA PRO A 98 -7.842 -8.490 -9.861 1.00 0.00 C ATOM 1450 C PRO A 98 -8.204 -7.355 -10.820 1.00 0.00 C ATOM 1451 O PRO A 98 -7.433 -7.030 -11.722 1.00 0.00 O ATOM 1452 CB PRO A 98 -8.732 -9.712 -10.024 1.00 0.00 C ATOM 1453 CG PRO A 98 -9.722 -9.664 -8.872 1.00 0.00 C ATOM 1454 CD PRO A 98 -9.211 -8.651 -7.861 1.00 0.00 C ATOM 0 HA PRO A 98 -6.806 -8.732 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.249 -9.694 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.144 -10.630 -9.996 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.711 -9.380 -9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.820 -10.647 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.958 -7.883 -7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.975 -9.126 -6.909 1.00 0.00 H new ATOM 1462 N SER A 99 -9.377 -6.782 -10.593 1.00 0.00 N ATOM 1463 CA SER A 99 -9.850 -5.689 -11.426 1.00 0.00 C ATOM 1464 C SER A 99 -10.727 -4.745 -10.602 1.00 0.00 C ATOM 1465 O SER A 99 -11.814 -5.122 -10.167 1.00 0.00 O ATOM 1466 CB SER A 99 -10.627 -6.215 -12.635 1.00 0.00 C ATOM 1467 OG SER A 99 -9.998 -5.868 -13.866 1.00 0.00 O ATOM 0 H SER A 99 -10.014 -7.054 -9.844 1.00 0.00 H new ATOM 0 HA SER A 99 -8.984 -5.140 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.715 -7.299 -12.566 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.639 -5.812 -12.619 1.00 0.00 H new ATOM 0 HG SER A 99 -10.523 -6.223 -14.613 1.00 0.00 H new ATOM 1473 N SER A 100 -10.221 -3.535 -10.412 1.00 0.00 N ATOM 1474 CA SER A 100 -10.945 -2.533 -9.647 1.00 0.00 C ATOM 1475 C SER A 100 -12.071 -1.940 -10.496 1.00 0.00 C ATOM 1476 O SER A 100 -11.850 -1.001 -11.259 1.00 0.00 O ATOM 1477 CB SER A 100 -10.006 -1.426 -9.162 1.00 0.00 C ATOM 1478 OG SER A 100 -10.720 -0.338 -8.581 1.00 0.00 O ATOM 0 H SER A 100 -9.319 -3.226 -10.774 1.00 0.00 H new ATOM 0 HA SER A 100 -11.376 -3.017 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.310 -1.836 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.410 -1.063 -9.999 1.00 0.00 H new ATOM 0 HG SER A 100 -10.086 0.347 -8.282 1.00 0.00 H new ATOM 1484 N GLY A 101 -13.255 -2.512 -10.334 1.00 0.00 N ATOM 1485 CA GLY A 101 -14.417 -2.051 -11.075 1.00 0.00 C ATOM 1486 C GLY A 101 -15.542 -3.087 -11.030 1.00 0.00 C ATOM 1487 O GLY A 101 -16.693 -2.772 -11.330 1.00 0.00 O ATOM 0 H GLY A 101 -13.435 -3.291 -9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.769 -1.108 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.139 -1.856 -12.111 1.00 0.00 H new TER 1491 GLY A 101