USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 575 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 8 ASN : amide:sc= -1.06 K(o=-1.9,f=-1.3!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -124:sc= -0.844 (180deg=0) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.55 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 174:sc= 1.28 (180deg=-0.049) USER MOD Set 3.1: A 46 LYS NZ :NH3+ -163:sc= -3.82! (180deg=-0.327) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -4.32! K(o=-8.1!,f=0.11) USER MOD Set 4.1: A 30 SER OG : rot -27:sc= 0.775 USER MOD Set 4.2: A 33 THR OG1 : rot 70:sc= -0.728! USER MOD Single : A 1 ALA N :NH3+ -155:sc= -0.343 (180deg=-1.88) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0.0304 (180deg=0.0302) USER MOD Single : A 4 THR OG1 : rot -109:sc= 1.18 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0395 K(o=-0.04,f=-2.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 64:sc= 0.101 USER MOD Single : A 23 SER OG : rot 170:sc= -0.854 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0375 K(o=-0.037,f=-2.1!) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0156 (180deg=-0.335) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -170:sc= 0.0178 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 117:sc= 0.391 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-0.71) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 76 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.900 8.534 10.944 1.00 0.00 N ATOM 2 CA ALA A 1 8.910 7.523 11.408 1.00 0.00 C ATOM 3 C ALA A 1 8.189 6.950 10.188 1.00 0.00 C ATOM 4 O ALA A 1 7.693 5.841 10.207 1.00 0.00 O ATOM 5 CB ALA A 1 7.895 8.196 12.339 1.00 0.00 C ATOM 0 H1 ALA A 1 10.662 8.622 11.646 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.302 8.234 10.033 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.429 9.454 10.828 1.00 0.00 H new ATOM 0 HA ALA A 1 9.415 6.723 11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.169 7.458 12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.415 8.618 13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.379 8.991 11.801 1.00 0.00 H new ATOM 13 N GLU A 2 8.131 7.713 9.131 1.00 0.00 N ATOM 14 CA GLU A 2 7.441 7.255 7.889 1.00 0.00 C ATOM 15 C GLU A 2 8.355 6.353 7.075 1.00 0.00 C ATOM 16 O GLU A 2 9.560 6.488 7.079 1.00 0.00 O ATOM 17 CB GLU A 2 7.041 8.474 7.045 1.00 0.00 C ATOM 18 CG GLU A 2 5.996 9.306 7.803 1.00 0.00 C ATOM 19 CD GLU A 2 6.692 10.214 8.821 1.00 0.00 C ATOM 20 OE1 GLU A 2 7.899 10.105 8.960 1.00 0.00 O ATOM 21 OE2 GLU A 2 6.006 11.007 9.440 1.00 0.00 O ATOM 0 H GLU A 2 8.537 8.647 9.073 1.00 0.00 H new ATOM 0 HA GLU A 2 6.551 6.692 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.919 9.083 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.636 8.148 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.418 9.908 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.293 8.647 8.312 1.00 0.00 H new ATOM 28 N LYS A 3 7.766 5.425 6.373 1.00 0.00 N ATOM 29 CA LYS A 3 8.556 4.470 5.536 1.00 0.00 C ATOM 30 C LYS A 3 7.947 4.376 4.142 1.00 0.00 C ATOM 31 O LYS A 3 6.769 4.593 3.946 1.00 0.00 O ATOM 32 CB LYS A 3 8.537 3.092 6.187 1.00 0.00 C ATOM 33 CG LYS A 3 9.287 3.150 7.518 1.00 0.00 C ATOM 34 CD LYS A 3 9.379 1.743 8.122 1.00 0.00 C ATOM 35 CE LYS A 3 7.996 1.287 8.602 1.00 0.00 C ATOM 36 NZ LYS A 3 8.146 0.130 9.523 1.00 0.00 N ATOM 0 H LYS A 3 6.756 5.284 6.342 1.00 0.00 H new ATOM 0 HA LYS A 3 9.583 4.827 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.509 2.769 6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.001 2.359 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.287 3.557 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.772 3.819 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.764 1.044 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.081 1.741 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.488 2.106 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.377 1.008 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.207 -0.190 9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.630 -0.647 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.707 0.416 10.351 1.00 0.00 H new ATOM 50 N THR A 4 8.762 4.052 3.173 1.00 0.00 N ATOM 51 CA THR A 4 8.277 3.932 1.760 1.00 0.00 C ATOM 52 C THR A 4 8.422 2.490 1.285 1.00 0.00 C ATOM 53 O THR A 4 9.494 1.922 1.282 1.00 0.00 O ATOM 54 CB THR A 4 9.101 4.857 0.861 1.00 0.00 C ATOM 55 OG1 THR A 4 10.484 4.569 1.010 1.00 0.00 O ATOM 56 CG2 THR A 4 8.838 6.313 1.249 1.00 0.00 C ATOM 0 H THR A 4 9.756 3.862 3.299 1.00 0.00 H new ATOM 0 HA THR A 4 7.226 4.219 1.712 1.00 0.00 H new ATOM 0 HB THR A 4 8.812 4.698 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.921 5.302 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.425 6.972 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.778 6.537 1.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.123 6.470 2.289 1.00 0.00 H new ATOM 64 N GLY A 5 7.328 1.902 0.889 1.00 0.00 N ATOM 65 CA GLY A 5 7.334 0.485 0.408 1.00 0.00 C ATOM 66 C GLY A 5 7.307 0.440 -1.118 1.00 0.00 C ATOM 67 O GLY A 5 6.648 1.229 -1.769 1.00 0.00 O ATOM 0 H GLY A 5 6.411 2.349 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.222 -0.027 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.470 -0.045 0.809 1.00 0.00 H new ATOM 71 N ILE A 6 8.023 -0.495 -1.684 1.00 0.00 N ATOM 72 CA ILE A 6 8.068 -0.637 -3.174 1.00 0.00 C ATOM 73 C ILE A 6 6.998 -1.632 -3.621 1.00 0.00 C ATOM 74 O ILE A 6 6.985 -2.779 -3.219 1.00 0.00 O ATOM 75 CB ILE A 6 9.455 -1.136 -3.597 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.539 -0.292 -2.908 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.601 -1.007 -5.114 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.273 1.199 -3.144 1.00 0.00 C ATOM 0 H ILE A 6 8.586 -1.175 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 6 7.877 0.329 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 6 9.568 -2.180 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.550 -0.503 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.522 -0.560 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.587 -1.361 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.834 -1.605 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.487 0.038 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.046 1.789 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.285 1.406 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.298 1.464 -2.734 1.00 0.00 H new ATOM 90 N VAL A 7 6.099 -1.184 -4.453 1.00 0.00 N ATOM 91 CA VAL A 7 5.007 -2.073 -4.947 1.00 0.00 C ATOM 92 C VAL A 7 5.533 -2.948 -6.079 1.00 0.00 C ATOM 93 O VAL A 7 5.721 -2.504 -7.193 1.00 0.00 O ATOM 94 CB VAL A 7 3.841 -1.215 -5.448 1.00 0.00 C ATOM 95 CG1 VAL A 7 2.776 -2.117 -6.074 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.230 -0.454 -4.265 1.00 0.00 C ATOM 0 H VAL A 7 6.073 -0.231 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 7 4.660 -2.712 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 7 4.202 -0.507 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.946 -1.507 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.209 -2.665 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.413 -2.823 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.399 0.158 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.868 -1.165 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.988 0.187 -3.814 1.00 0.00 H new ATOM 106 N ASN A 8 5.764 -4.199 -5.790 1.00 0.00 N ATOM 107 CA ASN A 8 6.277 -5.143 -6.829 1.00 0.00 C ATOM 108 C ASN A 8 5.122 -5.969 -7.385 1.00 0.00 C ATOM 109 O ASN A 8 4.642 -6.895 -6.764 1.00 0.00 O ATOM 110 CB ASN A 8 7.325 -6.069 -6.203 1.00 0.00 C ATOM 111 CG ASN A 8 8.128 -6.745 -7.315 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.386 -6.148 -8.341 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.533 -7.975 -7.160 1.00 0.00 N ATOM 0 H ASN A 8 5.618 -4.614 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 8 6.735 -4.578 -7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.989 -5.499 -5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.839 -6.820 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.065 -8.434 -7.899 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.318 -8.478 -6.299 1.00 0.00 H new ATOM 120 N VAL A 9 4.685 -5.631 -8.568 1.00 0.00 N ATOM 121 CA VAL A 9 3.564 -6.377 -9.222 1.00 0.00 C ATOM 122 C VAL A 9 3.875 -6.591 -10.702 1.00 0.00 C ATOM 123 O VAL A 9 4.698 -5.915 -11.286 1.00 0.00 O ATOM 124 CB VAL A 9 2.261 -5.585 -9.083 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.855 -5.519 -7.608 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.450 -4.162 -9.624 1.00 0.00 C ATOM 0 H VAL A 9 5.061 -4.859 -9.119 1.00 0.00 H new ATOM 0 HA VAL A 9 3.452 -7.345 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 9 1.480 -6.085 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.927 -4.955 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.707 -6.529 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.641 -5.026 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.518 -3.607 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.236 -3.660 -9.060 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.731 -4.207 -10.676 1.00 0.00 H new ATOM 136 N SER A 10 3.208 -7.537 -11.303 1.00 0.00 N ATOM 137 CA SER A 10 3.430 -7.834 -12.749 1.00 0.00 C ATOM 138 C SER A 10 2.552 -6.908 -13.588 1.00 0.00 C ATOM 139 O SER A 10 2.721 -6.794 -14.784 1.00 0.00 O ATOM 140 CB SER A 10 3.050 -9.292 -13.030 1.00 0.00 C ATOM 141 OG SER A 10 1.670 -9.494 -12.745 1.00 0.00 O ATOM 0 H SER A 10 2.509 -8.125 -10.849 1.00 0.00 H new ATOM 0 HA SER A 10 4.478 -7.677 -13.004 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.255 -9.536 -14.072 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.658 -9.960 -12.420 1.00 0.00 H new ATOM 0 HG SER A 10 1.431 -10.427 -12.928 1.00 0.00 H new ATOM 147 N SER A 11 1.618 -6.247 -12.962 1.00 0.00 N ATOM 148 CA SER A 11 0.713 -5.314 -13.704 1.00 0.00 C ATOM 149 C SER A 11 0.437 -4.084 -12.836 1.00 0.00 C ATOM 150 O SER A 11 0.975 -3.019 -13.062 1.00 0.00 O ATOM 151 CB SER A 11 -0.613 -6.023 -13.997 1.00 0.00 C ATOM 152 OG SER A 11 -0.433 -6.919 -15.083 1.00 0.00 O ATOM 0 H SER A 11 1.439 -6.311 -11.960 1.00 0.00 H new ATOM 0 HA SER A 11 1.186 -5.011 -14.638 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.952 -6.566 -13.114 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.385 -5.292 -14.237 1.00 0.00 H new ATOM 0 HG SER A 11 -1.279 -7.376 -15.273 1.00 0.00 H new ATOM 158 N SER A 12 -0.405 -4.227 -11.850 1.00 0.00 N ATOM 159 CA SER A 12 -0.741 -3.074 -10.963 1.00 0.00 C ATOM 160 C SER A 12 -1.221 -3.588 -9.610 1.00 0.00 C ATOM 161 O SER A 12 -1.506 -4.756 -9.442 1.00 0.00 O ATOM 162 CB SER A 12 -1.846 -2.237 -11.606 1.00 0.00 C ATOM 163 OG SER A 12 -2.930 -3.080 -11.973 1.00 0.00 O ATOM 0 H SER A 12 -0.879 -5.100 -11.618 1.00 0.00 H new ATOM 0 HA SER A 12 0.148 -2.460 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.187 -1.471 -10.910 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.460 -1.720 -12.485 1.00 0.00 H new ATOM 0 HG SER A 12 -3.639 -2.542 -12.384 1.00 0.00 H new ATOM 169 N LEU A 13 -1.295 -2.715 -8.639 1.00 0.00 N ATOM 170 CA LEU A 13 -1.738 -3.121 -7.269 1.00 0.00 C ATOM 171 C LEU A 13 -3.067 -2.457 -6.923 1.00 0.00 C ATOM 172 O LEU A 13 -3.257 -1.272 -7.104 1.00 0.00 O ATOM 173 CB LEU A 13 -0.673 -2.708 -6.248 1.00 0.00 C ATOM 174 CG LEU A 13 -1.146 -3.060 -4.830 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.448 -4.565 -4.738 1.00 0.00 C ATOM 176 CD2 LEU A 13 -0.055 -2.693 -3.824 1.00 0.00 C ATOM 0 H LEU A 13 -1.065 -1.726 -8.737 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.871 -4.203 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.267 -3.216 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.481 -1.638 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.053 -2.500 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.783 -4.808 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.230 -4.824 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.546 -5.132 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.390 -2.942 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.853 -3.250 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.150 -1.624 -3.884 1.00 0.00 H new ATOM 188 N ASN A 14 -3.980 -3.235 -6.412 1.00 0.00 N ATOM 189 CA ASN A 14 -5.321 -2.706 -6.025 1.00 0.00 C ATOM 190 C ASN A 14 -5.306 -2.265 -4.566 1.00 0.00 C ATOM 191 O ASN A 14 -4.693 -2.883 -3.718 1.00 0.00 O ATOM 192 CB ASN A 14 -6.374 -3.800 -6.216 1.00 0.00 C ATOM 193 CG ASN A 14 -6.601 -4.032 -7.709 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.269 -3.193 -8.522 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.157 -5.142 -8.106 1.00 0.00 N ATOM 0 H ASN A 14 -3.852 -4.233 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.563 -1.850 -6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.045 -4.723 -5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.308 -3.508 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.314 -5.307 -9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.435 -5.846 -7.422 1.00 0.00 H new ATOM 202 N VAL A 15 -5.986 -1.191 -4.278 1.00 0.00 N ATOM 203 CA VAL A 15 -6.039 -0.662 -2.881 1.00 0.00 C ATOM 204 C VAL A 15 -7.338 -1.105 -2.213 1.00 0.00 C ATOM 205 O VAL A 15 -8.415 -0.944 -2.747 1.00 0.00 O ATOM 206 CB VAL A 15 -5.972 0.869 -2.922 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.246 1.429 -1.525 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.576 1.303 -3.380 1.00 0.00 C ATOM 0 H VAL A 15 -6.516 -0.648 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.196 -1.049 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.720 1.248 -3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.198 2.518 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.237 1.118 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.498 1.051 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.525 2.391 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.830 0.924 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.379 0.903 -4.374 1.00 0.00 H new ATOM 218 N ARG A 16 -7.225 -1.663 -1.040 1.00 0.00 N ATOM 219 CA ARG A 16 -8.427 -2.139 -0.292 1.00 0.00 C ATOM 220 C ARG A 16 -8.927 -1.044 0.646 1.00 0.00 C ATOM 221 O ARG A 16 -8.185 -0.188 1.083 1.00 0.00 O ATOM 222 CB ARG A 16 -8.058 -3.382 0.520 1.00 0.00 C ATOM 223 CG ARG A 16 -7.755 -4.541 -0.432 1.00 0.00 C ATOM 224 CD ARG A 16 -7.368 -5.778 0.380 1.00 0.00 C ATOM 225 NE ARG A 16 -7.079 -6.913 -0.549 1.00 0.00 N ATOM 226 CZ ARG A 16 -5.878 -7.088 -1.042 1.00 0.00 C ATOM 227 NH1 ARG A 16 -4.904 -6.266 -0.741 1.00 0.00 N ATOM 228 NH2 ARG A 16 -5.652 -8.092 -1.840 1.00 0.00 N ATOM 0 H ARG A 16 -6.338 -1.812 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.217 -2.385 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.190 -3.176 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.877 -3.650 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.627 -4.756 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.945 -4.268 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.493 -5.564 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.176 -6.047 1.060 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.826 -7.559 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.076 -5.478 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.973 -6.413 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.407 -8.735 -2.077 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.720 -8.235 -2.228 1.00 0.00 H new ATOM 242 N GLU A 17 -10.195 -1.076 0.943 1.00 0.00 N ATOM 243 CA GLU A 17 -10.802 -0.052 1.839 1.00 0.00 C ATOM 244 C GLU A 17 -10.198 -0.179 3.239 1.00 0.00 C ATOM 245 O GLU A 17 -9.849 0.804 3.862 1.00 0.00 O ATOM 246 CB GLU A 17 -12.318 -0.292 1.912 1.00 0.00 C ATOM 247 CG GLU A 17 -12.974 0.812 2.747 1.00 0.00 C ATOM 248 CD GLU A 17 -14.492 0.594 2.807 1.00 0.00 C ATOM 249 OE1 GLU A 17 -14.938 -0.469 2.407 1.00 0.00 O ATOM 250 OE2 GLU A 17 -15.181 1.497 3.253 1.00 0.00 O ATOM 0 H GLU A 17 -10.848 -1.780 0.597 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.603 0.947 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.743 -0.304 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.521 -1.267 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.558 0.813 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.755 1.787 2.312 1.00 0.00 H new ATOM 257 N GLY A 18 -10.072 -1.380 3.729 1.00 0.00 N ATOM 258 CA GLY A 18 -9.490 -1.582 5.092 1.00 0.00 C ATOM 259 C GLY A 18 -8.948 -3.006 5.216 1.00 0.00 C ATOM 260 O GLY A 18 -9.688 -3.953 5.396 1.00 0.00 O ATOM 0 H GLY A 18 -10.347 -2.235 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.691 -0.862 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.251 -1.405 5.852 1.00 0.00 H new ATOM 264 N ALA A 19 -7.651 -3.147 5.128 1.00 0.00 N ATOM 265 CA ALA A 19 -6.999 -4.487 5.245 1.00 0.00 C ATOM 266 C ALA A 19 -7.841 -5.549 4.541 1.00 0.00 C ATOM 267 O ALA A 19 -8.014 -5.522 3.341 1.00 0.00 O ATOM 268 CB ALA A 19 -6.857 -4.848 6.728 1.00 0.00 C ATOM 0 H ALA A 19 -7.003 -2.374 4.977 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.016 -4.449 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.382 -5.825 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.245 -4.098 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.843 -4.879 7.191 1.00 0.00 H new ATOM 274 N SER A 20 -8.368 -6.471 5.296 1.00 0.00 N ATOM 275 CA SER A 20 -9.213 -7.554 4.728 1.00 0.00 C ATOM 276 C SER A 20 -8.450 -8.317 3.648 1.00 0.00 C ATOM 277 O SER A 20 -7.559 -7.798 3.006 1.00 0.00 O ATOM 278 CB SER A 20 -10.488 -6.952 4.146 1.00 0.00 C ATOM 279 OG SER A 20 -11.418 -6.714 5.197 1.00 0.00 O ATOM 0 H SER A 20 -8.244 -6.519 6.307 1.00 0.00 H new ATOM 0 HA SER A 20 -9.474 -8.254 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.260 -6.020 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.920 -7.629 3.409 1.00 0.00 H new ATOM 0 HG SER A 20 -12.238 -6.325 4.827 1.00 0.00 H new ATOM 285 N THR A 21 -8.796 -9.558 3.463 1.00 0.00 N ATOM 286 CA THR A 21 -8.115 -10.398 2.440 1.00 0.00 C ATOM 287 C THR A 21 -8.452 -9.888 1.040 1.00 0.00 C ATOM 288 O THR A 21 -7.591 -9.759 0.195 1.00 0.00 O ATOM 289 CB THR A 21 -8.579 -11.853 2.582 1.00 0.00 C ATOM 290 OG1 THR A 21 -8.236 -12.338 3.873 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.901 -12.714 1.515 1.00 0.00 C ATOM 0 H THR A 21 -9.532 -10.033 3.985 1.00 0.00 H new ATOM 0 HA THR A 21 -7.037 -10.342 2.590 1.00 0.00 H new ATOM 0 HB THR A 21 -9.660 -11.902 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.534 -13.267 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.232 -13.748 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.168 -12.344 0.525 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.819 -12.665 1.641 1.00 0.00 H new ATOM 299 N SER A 22 -9.701 -9.605 0.793 1.00 0.00 N ATOM 300 CA SER A 22 -10.113 -9.105 -0.554 1.00 0.00 C ATOM 301 C SER A 22 -11.373 -8.250 -0.410 1.00 0.00 C ATOM 302 O SER A 22 -12.414 -8.544 -0.964 1.00 0.00 O ATOM 303 CB SER A 22 -10.379 -10.289 -1.483 1.00 0.00 C ATOM 304 OG SER A 22 -11.312 -11.174 -0.876 1.00 0.00 O ATOM 0 H SER A 22 -10.460 -9.698 1.468 1.00 0.00 H new ATOM 0 HA SER A 22 -9.316 -8.497 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.767 -9.934 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.448 -10.815 -1.693 1.00 0.00 H new ATOM 0 HG SER A 22 -12.174 -10.719 -0.771 1.00 0.00 H new ATOM 310 N SER A 23 -11.268 -7.185 0.334 1.00 0.00 N ATOM 311 CA SER A 23 -12.432 -6.268 0.540 1.00 0.00 C ATOM 312 C SER A 23 -12.676 -5.419 -0.707 1.00 0.00 C ATOM 313 O SER A 23 -12.101 -5.640 -1.753 1.00 0.00 O ATOM 314 CB SER A 23 -12.154 -5.352 1.734 1.00 0.00 C ATOM 315 OG SER A 23 -10.814 -4.886 1.666 1.00 0.00 O ATOM 0 H SER A 23 -10.414 -6.904 0.816 1.00 0.00 H new ATOM 0 HA SER A 23 -13.321 -6.869 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.845 -4.509 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.317 -5.892 2.667 1.00 0.00 H new ATOM 0 HG SER A 23 -10.680 -4.179 2.331 1.00 0.00 H new ATOM 321 N LYS A 24 -13.552 -4.459 -0.592 1.00 0.00 N ATOM 322 CA LYS A 24 -13.890 -3.583 -1.751 1.00 0.00 C ATOM 323 C LYS A 24 -12.688 -2.735 -2.144 1.00 0.00 C ATOM 324 O LYS A 24 -11.933 -2.275 -1.314 1.00 0.00 O ATOM 325 CB LYS A 24 -15.054 -2.667 -1.371 1.00 0.00 C ATOM 326 CG LYS A 24 -16.311 -3.507 -1.126 1.00 0.00 C ATOM 327 CD LYS A 24 -17.446 -2.606 -0.614 1.00 0.00 C ATOM 328 CE LYS A 24 -18.060 -1.822 -1.779 1.00 0.00 C ATOM 329 NZ LYS A 24 -19.322 -1.176 -1.328 1.00 0.00 N ATOM 0 H LYS A 24 -14.055 -4.241 0.268 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.171 -4.210 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.805 -2.098 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.236 -1.945 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.615 -4.002 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.100 -4.291 -0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.212 -3.212 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.062 -1.916 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.358 -1.067 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.260 -2.490 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.741 -0.643 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.991 -1.906 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.118 -0.527 -0.542 1.00 0.00 H new ATOM 343 N VAL A 25 -12.519 -2.527 -3.420 1.00 0.00 N ATOM 344 CA VAL A 25 -11.375 -1.710 -3.919 1.00 0.00 C ATOM 345 C VAL A 25 -11.855 -0.291 -4.203 1.00 0.00 C ATOM 346 O VAL A 25 -12.817 -0.072 -4.910 1.00 0.00 O ATOM 347 CB VAL A 25 -10.819 -2.341 -5.200 1.00 0.00 C ATOM 348 CG1 VAL A 25 -9.788 -1.398 -5.826 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.147 -3.672 -4.853 1.00 0.00 C ATOM 0 H VAL A 25 -13.132 -2.893 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.588 -1.678 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.630 -2.512 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.392 -1.846 -6.737 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.263 -0.447 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.974 -1.229 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.749 -4.126 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.334 -3.496 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.879 -4.342 -4.402 1.00 0.00 H new ATOM 359 N ILE A 26 -11.179 0.673 -3.644 1.00 0.00 N ATOM 360 CA ILE A 26 -11.556 2.103 -3.849 1.00 0.00 C ATOM 361 C ILE A 26 -10.587 2.732 -4.847 1.00 0.00 C ATOM 362 O ILE A 26 -10.738 3.872 -5.236 1.00 0.00 O ATOM 363 CB ILE A 26 -11.481 2.841 -2.508 1.00 0.00 C ATOM 364 CG1 ILE A 26 -10.108 2.616 -1.856 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.579 2.312 -1.581 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.979 3.499 -0.609 1.00 0.00 C ATOM 0 H ILE A 26 -10.367 0.530 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.572 2.173 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.621 3.909 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.991 1.567 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.315 2.852 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.531 2.833 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.554 2.482 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.435 1.244 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.004 3.338 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.077 4.547 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.764 3.241 0.102 1.00 0.00 H new ATOM 378 N GLY A 27 -9.597 1.992 -5.266 1.00 0.00 N ATOM 379 CA GLY A 27 -8.614 2.540 -6.248 1.00 0.00 C ATOM 380 C GLY A 27 -7.465 1.553 -6.457 1.00 0.00 C ATOM 381 O GLY A 27 -7.470 0.446 -5.958 1.00 0.00 O ATOM 0 H GLY A 27 -9.425 1.031 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.110 2.737 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.224 3.492 -5.889 1.00 0.00 H new ATOM 385 N SER A 28 -6.476 1.968 -7.200 1.00 0.00 N ATOM 386 CA SER A 28 -5.301 1.091 -7.471 1.00 0.00 C ATOM 387 C SER A 28 -4.079 1.949 -7.778 1.00 0.00 C ATOM 388 O SER A 28 -4.185 3.115 -8.102 1.00 0.00 O ATOM 389 CB SER A 28 -5.594 0.187 -8.667 1.00 0.00 C ATOM 390 OG SER A 28 -6.057 0.971 -9.757 1.00 0.00 O ATOM 0 H SER A 28 -6.431 2.889 -7.636 1.00 0.00 H new ATOM 0 HA SER A 28 -5.106 0.478 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.694 -0.356 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.343 -0.557 -8.398 1.00 0.00 H new ATOM 0 HG SER A 28 -6.242 0.389 -10.523 1.00 0.00 H new ATOM 396 N LEU A 29 -2.914 1.366 -7.673 1.00 0.00 N ATOM 397 CA LEU A 29 -1.642 2.112 -7.943 1.00 0.00 C ATOM 398 C LEU A 29 -0.800 1.354 -8.962 1.00 0.00 C ATOM 399 O LEU A 29 -0.862 0.145 -9.076 1.00 0.00 O ATOM 400 CB LEU A 29 -0.845 2.253 -6.645 1.00 0.00 C ATOM 401 CG LEU A 29 -1.670 3.023 -5.607 1.00 0.00 C ATOM 402 CD1 LEU A 29 -0.895 3.081 -4.288 1.00 0.00 C ATOM 403 CD2 LEU A 29 -1.938 4.454 -6.109 1.00 0.00 C ATOM 0 H LEU A 29 -2.785 0.390 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.888 3.098 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.586 1.267 -6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.092 2.776 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.622 2.515 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.478 3.628 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.711 2.068 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.057 3.588 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.525 4.996 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.990 4.968 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.490 4.413 -7.048 1.00 0.00 H new ATOM 415 N SER A 30 -0.015 2.078 -9.704 1.00 0.00 N ATOM 416 CA SER A 30 0.854 1.458 -10.742 1.00 0.00 C ATOM 417 C SER A 30 2.011 0.714 -10.086 1.00 0.00 C ATOM 418 O SER A 30 2.287 0.866 -8.913 1.00 0.00 O ATOM 419 CB SER A 30 1.411 2.553 -11.655 1.00 0.00 C ATOM 420 OG SER A 30 2.332 3.356 -10.927 1.00 0.00 O ATOM 0 H SER A 30 0.064 3.093 -9.635 1.00 0.00 H new ATOM 0 HA SER A 30 0.262 0.752 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.905 2.105 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.598 3.170 -12.038 1.00 0.00 H new ATOM 0 HG SER A 30 2.104 3.333 -9.974 1.00 0.00 H new ATOM 426 N GLY A 31 2.676 -0.101 -10.848 1.00 0.00 N ATOM 427 CA GLY A 31 3.820 -0.891 -10.316 1.00 0.00 C ATOM 428 C GLY A 31 4.989 0.027 -9.964 1.00 0.00 C ATOM 429 O GLY A 31 5.044 1.172 -10.363 1.00 0.00 O ATOM 0 H GLY A 31 2.473 -0.258 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.506 -1.445 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.137 -1.626 -11.056 1.00 0.00 H new ATOM 433 N ASN A 32 5.921 -0.497 -9.217 1.00 0.00 N ATOM 434 CA ASN A 32 7.126 0.281 -8.799 1.00 0.00 C ATOM 435 C ASN A 32 6.701 1.559 -8.070 1.00 0.00 C ATOM 436 O ASN A 32 7.527 2.361 -7.682 1.00 0.00 O ATOM 437 CB ASN A 32 7.965 0.639 -10.030 1.00 0.00 C ATOM 438 CG ASN A 32 8.656 -0.618 -10.564 1.00 0.00 C ATOM 439 OD1 ASN A 32 8.769 -1.608 -9.865 1.00 0.00 O ATOM 440 ND2 ASN A 32 9.129 -0.621 -11.779 1.00 0.00 N ATOM 0 H ASN A 32 5.899 -1.456 -8.869 1.00 0.00 H new ATOM 0 HA ASN A 32 7.724 -0.329 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.329 1.073 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.709 1.392 -9.769 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.593 -1.453 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.034 0.208 -12.365 1.00 0.00 H new ATOM 447 N THR A 33 5.425 1.748 -7.874 1.00 0.00 N ATOM 448 CA THR A 33 4.939 2.973 -7.166 1.00 0.00 C ATOM 449 C THR A 33 5.286 2.902 -5.681 1.00 0.00 C ATOM 450 O THR A 33 5.125 1.887 -5.031 1.00 0.00 O ATOM 451 CB THR A 33 3.421 3.104 -7.337 1.00 0.00 C ATOM 452 OG1 THR A 33 3.104 3.085 -8.721 1.00 0.00 O ATOM 453 CG2 THR A 33 2.949 4.424 -6.724 1.00 0.00 C ATOM 0 H THR A 33 4.692 1.105 -8.174 1.00 0.00 H new ATOM 0 HA THR A 33 5.429 3.845 -7.600 1.00 0.00 H new ATOM 0 HB THR A 33 2.923 2.274 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.256 2.185 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.870 4.516 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.197 4.442 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.443 5.256 -7.226 1.00 0.00 H new ATOM 461 N LYS A 34 5.761 3.994 -5.150 1.00 0.00 N ATOM 462 CA LYS A 34 6.134 4.051 -3.707 1.00 0.00 C ATOM 463 C LYS A 34 4.926 4.464 -2.876 1.00 0.00 C ATOM 464 O LYS A 34 4.127 5.281 -3.286 1.00 0.00 O ATOM 465 CB LYS A 34 7.263 5.070 -3.516 1.00 0.00 C ATOM 466 CG LYS A 34 8.557 4.517 -4.120 1.00 0.00 C ATOM 467 CD LYS A 34 9.694 5.523 -3.909 1.00 0.00 C ATOM 468 CE LYS A 34 11.013 4.921 -4.403 1.00 0.00 C ATOM 469 NZ LYS A 34 10.926 4.663 -5.868 1.00 0.00 N ATOM 0 H LYS A 34 5.909 4.863 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 34 6.470 3.067 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.000 6.014 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.404 5.278 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.810 3.564 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.420 4.325 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.480 6.446 -4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.773 5.781 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.837 5.602 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.222 3.993 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.880 4.499 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.336 3.823 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.501 5.486 -6.341 1.00 0.00 H new ATOM 483 N VAL A 35 4.794 3.896 -1.706 1.00 0.00 N ATOM 484 CA VAL A 35 3.637 4.230 -0.811 1.00 0.00 C ATOM 485 C VAL A 35 4.144 4.653 0.565 1.00 0.00 C ATOM 486 O VAL A 35 4.958 3.993 1.178 1.00 0.00 O ATOM 487 CB VAL A 35 2.725 3.008 -0.682 1.00 0.00 C ATOM 488 CG1 VAL A 35 2.157 2.657 -2.057 1.00 0.00 C ATOM 489 CG2 VAL A 35 3.512 1.809 -0.137 1.00 0.00 C ATOM 0 H VAL A 35 5.443 3.207 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 35 3.073 5.057 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 35 1.915 3.242 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.506 1.787 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.584 3.501 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.975 2.432 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.850 0.948 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.330 1.571 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.916 2.055 0.845 1.00 0.00 H new ATOM 499 N THR A 36 3.652 5.763 1.042 1.00 0.00 N ATOM 500 CA THR A 36 4.075 6.281 2.377 1.00 0.00 C ATOM 501 C THR A 36 3.329 5.539 3.476 1.00 0.00 C ATOM 502 O THR A 36 2.117 5.482 3.493 1.00 0.00 O ATOM 503 CB THR A 36 3.762 7.779 2.461 1.00 0.00 C ATOM 504 OG1 THR A 36 4.417 8.457 1.396 1.00 0.00 O ATOM 505 CG2 THR A 36 4.257 8.327 3.799 1.00 0.00 C ATOM 0 H THR A 36 2.966 6.342 0.558 1.00 0.00 H new ATOM 0 HA THR A 36 5.146 6.125 2.505 1.00 0.00 H new ATOM 0 HB THR A 36 2.686 7.934 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.217 9.415 1.446 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.035 9.392 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.756 7.805 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.333 8.175 3.878 1.00 0.00 H new ATOM 513 N ILE A 37 4.062 4.978 4.399 1.00 0.00 N ATOM 514 CA ILE A 37 3.441 4.220 5.529 1.00 0.00 C ATOM 515 C ILE A 37 3.506 5.048 6.803 1.00 0.00 C ATOM 516 O ILE A 37 4.550 5.529 7.196 1.00 0.00 O ATOM 517 CB ILE A 37 4.199 2.906 5.739 1.00 0.00 C ATOM 518 CG1 ILE A 37 4.101 2.050 4.474 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.582 2.149 6.916 1.00 0.00 C ATOM 520 CD1 ILE A 37 5.072 0.871 4.573 1.00 0.00 C ATOM 0 H ILE A 37 5.081 5.012 4.420 1.00 0.00 H new ATOM 0 HA ILE A 37 2.399 4.009 5.289 1.00 0.00 H new ATOM 0 HB ILE A 37 5.247 3.120 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.082 1.685 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.334 2.653 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.119 1.213 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.652 2.758 7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.535 1.936 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.000 0.263 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.090 1.246 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.818 0.263 5.441 1.00 0.00 H new ATOM 532 N VAL A 38 2.383 5.205 7.450 1.00 0.00 N ATOM 533 CA VAL A 38 2.321 5.989 8.722 1.00 0.00 C ATOM 534 C VAL A 38 1.729 5.099 9.813 1.00 0.00 C ATOM 535 O VAL A 38 1.455 5.544 10.909 1.00 0.00 O ATOM 536 CB VAL A 38 1.442 7.229 8.519 1.00 0.00 C ATOM 537 CG1 VAL A 38 2.050 8.106 7.421 1.00 0.00 C ATOM 538 CG2 VAL A 38 0.021 6.818 8.115 1.00 0.00 C ATOM 0 H VAL A 38 1.490 4.817 7.147 1.00 0.00 H new ATOM 0 HA VAL A 38 3.320 6.313 9.014 1.00 0.00 H new ATOM 0 HB VAL A 38 1.394 7.785 9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.428 8.989 7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.053 8.414 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.103 7.540 6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.590 7.710 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.057 6.253 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.415 6.199 8.899 1.00 0.00 H new ATOM 548 N GLY A 39 1.537 3.840 9.519 1.00 0.00 N ATOM 549 CA GLY A 39 0.968 2.908 10.540 1.00 0.00 C ATOM 550 C GLY A 39 0.999 1.469 10.023 1.00 0.00 C ATOM 551 O GLY A 39 1.261 1.207 8.863 1.00 0.00 O ATOM 0 H GLY A 39 1.749 3.416 8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.538 2.981 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.057 3.196 10.773 1.00 0.00 H new ATOM 555 N GLU A 40 0.727 0.536 10.894 1.00 0.00 N ATOM 556 CA GLU A 40 0.724 -0.911 10.509 1.00 0.00 C ATOM 557 C GLU A 40 -0.572 -1.563 10.983 1.00 0.00 C ATOM 558 O GLU A 40 -1.186 -1.138 11.940 1.00 0.00 O ATOM 559 CB GLU A 40 1.920 -1.616 11.161 1.00 0.00 C ATOM 560 CG GLU A 40 3.217 -1.093 10.537 1.00 0.00 C ATOM 561 CD GLU A 40 4.421 -1.733 11.232 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.210 -2.539 12.122 1.00 0.00 O ATOM 563 OE2 GLU A 40 5.536 -1.404 10.861 1.00 0.00 O ATOM 0 H GLU A 40 0.503 0.715 11.873 1.00 0.00 H new ATOM 0 HA GLU A 40 0.798 -0.998 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.921 -1.436 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.843 -2.694 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.237 -1.321 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.265 -0.008 10.631 1.00 0.00 H new ATOM 570 N GLU A 41 -0.990 -2.595 10.303 1.00 0.00 N ATOM 571 CA GLU A 41 -2.249 -3.294 10.689 1.00 0.00 C ATOM 572 C GLU A 41 -2.196 -4.758 10.241 1.00 0.00 C ATOM 573 O GLU A 41 -2.300 -5.077 9.073 1.00 0.00 O ATOM 574 CB GLU A 41 -3.438 -2.592 10.031 1.00 0.00 C ATOM 575 CG GLU A 41 -4.749 -3.203 10.542 1.00 0.00 C ATOM 576 CD GLU A 41 -4.923 -2.881 12.029 1.00 0.00 C ATOM 577 OE1 GLU A 41 -4.276 -1.957 12.497 1.00 0.00 O ATOM 578 OE2 GLU A 41 -5.695 -3.568 12.676 1.00 0.00 O ATOM 0 H GLU A 41 -0.511 -2.986 9.492 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.361 -3.263 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.412 -1.525 10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.377 -2.692 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.591 -2.809 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.741 -4.283 10.392 1.00 0.00 H new ATOM 585 N GLY A 42 -2.057 -5.641 11.187 1.00 0.00 N ATOM 586 CA GLY A 42 -2.021 -7.103 10.891 1.00 0.00 C ATOM 587 C GLY A 42 -1.033 -7.417 9.775 1.00 0.00 C ATOM 588 O GLY A 42 0.060 -6.895 9.722 1.00 0.00 O ATOM 0 H GLY A 42 -1.965 -5.408 12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.743 -7.652 11.791 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.016 -7.443 10.605 1.00 0.00 H new ATOM 592 N ALA A 43 -1.426 -8.289 8.889 1.00 0.00 N ATOM 593 CA ALA A 43 -0.543 -8.690 7.759 1.00 0.00 C ATOM 594 C ALA A 43 -0.694 -7.683 6.621 1.00 0.00 C ATOM 595 O ALA A 43 -0.376 -7.969 5.482 1.00 0.00 O ATOM 596 CB ALA A 43 -0.948 -10.086 7.276 1.00 0.00 C ATOM 0 H ALA A 43 -2.337 -8.748 8.901 1.00 0.00 H new ATOM 0 HA ALA A 43 0.496 -8.709 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.305 -10.385 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.842 -10.799 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.985 -10.069 6.942 1.00 0.00 H new ATOM 602 N PHE A 44 -1.176 -6.506 6.924 1.00 0.00 N ATOM 603 CA PHE A 44 -1.356 -5.455 5.871 1.00 0.00 C ATOM 604 C PHE A 44 -0.693 -4.159 6.324 1.00 0.00 C ATOM 605 O PHE A 44 -0.590 -3.872 7.500 1.00 0.00 O ATOM 606 CB PHE A 44 -2.848 -5.202 5.646 1.00 0.00 C ATOM 607 CG PHE A 44 -3.523 -6.477 5.193 1.00 0.00 C ATOM 608 CD1 PHE A 44 -3.926 -7.428 6.138 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.744 -6.706 3.830 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.552 -8.608 5.720 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.371 -7.886 3.413 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.775 -8.836 4.357 1.00 0.00 C ATOM 0 H PHE A 44 -1.456 -6.223 7.863 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.898 -5.797 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.308 -4.844 6.567 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.985 -4.422 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.754 -7.251 7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.431 -5.973 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.863 -9.342 6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.543 -8.063 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.259 -9.746 4.034 1.00 0.00 H new ATOM 622 N TYR A 45 -0.244 -3.375 5.384 1.00 0.00 N ATOM 623 CA TYR A 45 0.428 -2.080 5.715 1.00 0.00 C ATOM 624 C TYR A 45 -0.529 -0.920 5.471 1.00 0.00 C ATOM 625 O TYR A 45 -1.301 -0.910 4.533 1.00 0.00 O ATOM 626 CB TYR A 45 1.675 -1.906 4.845 1.00 0.00 C ATOM 627 CG TYR A 45 2.758 -2.849 5.324 1.00 0.00 C ATOM 628 CD1 TYR A 45 3.316 -2.675 6.597 1.00 0.00 C ATOM 629 CD2 TYR A 45 3.205 -3.890 4.502 1.00 0.00 C ATOM 630 CE1 TYR A 45 4.319 -3.541 7.047 1.00 0.00 C ATOM 631 CE2 TYR A 45 4.209 -4.755 4.952 1.00 0.00 C ATOM 632 CZ TYR A 45 4.766 -4.581 6.224 1.00 0.00 C ATOM 633 OH TYR A 45 5.755 -5.435 6.667 1.00 0.00 O ATOM 0 H TYR A 45 -0.313 -3.576 4.386 1.00 0.00 H new ATOM 0 HA TYR A 45 0.718 -2.091 6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.435 -2.110 3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.026 -0.875 4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.972 -1.872 7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.775 -4.026 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.748 -3.407 8.029 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.554 -5.558 4.317 1.00 0.00 H new ATOM 0 HH TYR A 45 5.947 -6.101 5.974 1.00 0.00 H new ATOM 643 N LYS A 46 -0.473 0.058 6.333 1.00 0.00 N ATOM 644 CA LYS A 46 -1.367 1.248 6.211 1.00 0.00 C ATOM 645 C LYS A 46 -0.641 2.350 5.449 1.00 0.00 C ATOM 646 O LYS A 46 0.418 2.797 5.837 1.00 0.00 O ATOM 647 CB LYS A 46 -1.723 1.742 7.616 1.00 0.00 C ATOM 648 CG LYS A 46 -2.692 2.922 7.521 1.00 0.00 C ATOM 649 CD LYS A 46 -3.095 3.359 8.932 1.00 0.00 C ATOM 650 CE LYS A 46 -4.087 4.520 8.854 1.00 0.00 C ATOM 651 NZ LYS A 46 -3.405 5.718 8.290 1.00 0.00 N ATOM 0 H LYS A 46 0.164 0.084 7.129 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.276 0.979 5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.175 0.934 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.819 2.044 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.223 3.751 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.575 2.637 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.543 2.522 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.212 3.661 9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.937 4.245 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.479 4.745 9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.968 6.568 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.462 5.814 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.308 5.610 7.260 1.00 0.00 H new ATOM 665 N ILE A 47 -1.222 2.789 4.365 1.00 0.00 N ATOM 666 CA ILE A 47 -0.602 3.872 3.539 1.00 0.00 C ATOM 667 C ILE A 47 -1.616 4.977 3.268 1.00 0.00 C ATOM 668 O ILE A 47 -2.811 4.766 3.282 1.00 0.00 O ATOM 669 CB ILE A 47 -0.104 3.291 2.211 1.00 0.00 C ATOM 670 CG1 ILE A 47 -1.251 2.572 1.487 1.00 0.00 C ATOM 671 CG2 ILE A 47 1.033 2.303 2.480 1.00 0.00 C ATOM 672 CD1 ILE A 47 -0.819 2.228 0.059 1.00 0.00 C ATOM 0 H ILE A 47 -2.112 2.440 4.010 1.00 0.00 H new ATOM 0 HA ILE A 47 0.240 4.293 4.088 1.00 0.00 H new ATOM 0 HB ILE A 47 0.259 4.103 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.522 1.663 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.137 3.207 1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.387 1.890 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.853 2.819 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.670 1.495 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.634 1.718 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.570 3.144 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.055 1.577 0.090 1.00 0.00 H new ATOM 684 N GLU A 48 -1.127 6.160 3.024 1.00 0.00 N ATOM 685 CA GLU A 48 -2.029 7.319 2.752 1.00 0.00 C ATOM 686 C GLU A 48 -2.440 7.324 1.283 1.00 0.00 C ATOM 687 O GLU A 48 -1.632 7.514 0.398 1.00 0.00 O ATOM 688 CB GLU A 48 -1.294 8.620 3.094 1.00 0.00 C ATOM 689 CG GLU A 48 -1.083 8.696 4.609 1.00 0.00 C ATOM 690 CD GLU A 48 -0.275 9.948 4.958 1.00 0.00 C ATOM 691 OE1 GLU A 48 0.078 10.677 4.045 1.00 0.00 O ATOM 692 OE2 GLU A 48 -0.021 10.156 6.133 1.00 0.00 O ATOM 0 H GLU A 48 -0.131 6.378 3.001 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.925 7.235 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.334 8.656 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.871 9.479 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.046 8.720 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.560 7.806 4.958 1.00 0.00 H new ATOM 699 N TYR A 49 -3.706 7.121 1.028 1.00 0.00 N ATOM 700 CA TYR A 49 -4.217 7.111 -0.379 1.00 0.00 C ATOM 701 C TYR A 49 -4.997 8.394 -0.649 1.00 0.00 C ATOM 702 O TYR A 49 -6.036 8.644 -0.069 1.00 0.00 O ATOM 703 CB TYR A 49 -5.131 5.898 -0.579 1.00 0.00 C ATOM 704 CG TYR A 49 -5.618 5.872 -2.009 1.00 0.00 C ATOM 705 CD1 TYR A 49 -4.790 5.369 -3.020 1.00 0.00 C ATOM 706 CD2 TYR A 49 -6.894 6.355 -2.327 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.237 5.348 -4.347 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.341 6.333 -3.652 1.00 0.00 C ATOM 709 CZ TYR A 49 -6.512 5.831 -4.662 1.00 0.00 C ATOM 710 OH TYR A 49 -6.954 5.810 -5.971 1.00 0.00 O ATOM 0 H TYR A 49 -4.417 6.960 1.741 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.378 7.050 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.591 4.979 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.978 5.949 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.806 4.997 -2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.533 6.745 -1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.598 4.959 -5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.326 6.703 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.860 6.180 -6.016 1.00 0.00 H new ATOM 720 N LYS A 50 -4.483 9.199 -1.540 1.00 0.00 N ATOM 721 CA LYS A 50 -5.140 10.490 -1.906 1.00 0.00 C ATOM 722 C LYS A 50 -5.682 11.176 -0.655 1.00 0.00 C ATOM 723 O LYS A 50 -5.019 11.987 -0.045 1.00 0.00 O ATOM 724 CB LYS A 50 -6.293 10.224 -2.878 1.00 0.00 C ATOM 725 CG LYS A 50 -5.731 9.784 -4.234 1.00 0.00 C ATOM 726 CD LYS A 50 -6.886 9.525 -5.207 1.00 0.00 C ATOM 727 CE LYS A 50 -6.329 9.180 -6.592 1.00 0.00 C ATOM 728 NZ LYS A 50 -5.564 7.901 -6.520 1.00 0.00 N ATOM 0 H LYS A 50 -3.615 9.012 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.403 11.139 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.949 9.452 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.896 11.124 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.071 10.554 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.132 8.881 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.506 8.707 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.525 10.406 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.144 9.088 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.682 9.983 -6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.273 7.616 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.720 8.034 -5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.165 7.160 -6.106 1.00 0.00 H new ATOM 742 N GLY A 51 -6.885 10.853 -0.276 1.00 0.00 N ATOM 743 CA GLY A 51 -7.509 11.468 0.935 1.00 0.00 C ATOM 744 C GLY A 51 -7.744 10.376 1.980 1.00 0.00 C ATOM 745 O GLY A 51 -7.564 10.587 3.162 1.00 0.00 O ATOM 0 H GLY A 51 -7.476 10.177 -0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.860 12.244 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.452 11.947 0.671 1.00 0.00 H new ATOM 749 N SER A 52 -8.156 9.217 1.543 1.00 0.00 N ATOM 750 CA SER A 52 -8.432 8.090 2.486 1.00 0.00 C ATOM 751 C SER A 52 -7.174 7.261 2.707 1.00 0.00 C ATOM 752 O SER A 52 -6.183 7.416 2.026 1.00 0.00 O ATOM 753 CB SER A 52 -9.531 7.199 1.904 1.00 0.00 C ATOM 754 OG SER A 52 -9.218 6.875 0.554 1.00 0.00 O ATOM 0 H SER A 52 -8.316 8.998 0.560 1.00 0.00 H new ATOM 0 HA SER A 52 -8.755 8.502 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.625 6.288 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.492 7.711 1.952 1.00 0.00 H new ATOM 0 HG SER A 52 -9.990 6.441 0.134 1.00 0.00 H new ATOM 760 N HIS A 53 -7.217 6.379 3.668 1.00 0.00 N ATOM 761 CA HIS A 53 -6.034 5.518 3.976 1.00 0.00 C ATOM 762 C HIS A 53 -6.179 4.167 3.283 1.00 0.00 C ATOM 763 O HIS A 53 -7.023 3.360 3.619 1.00 0.00 O ATOM 764 CB HIS A 53 -5.940 5.317 5.487 1.00 0.00 C ATOM 765 CG HIS A 53 -5.646 6.636 6.145 1.00 0.00 C ATOM 766 ND1 HIS A 53 -6.643 7.433 6.684 1.00 0.00 N ATOM 767 CD2 HIS A 53 -4.470 7.312 6.354 1.00 0.00 C ATOM 768 CE1 HIS A 53 -6.054 8.533 7.189 1.00 0.00 C ATOM 769 NE2 HIS A 53 -4.729 8.510 7.014 1.00 0.00 N ATOM 0 H HIS A 53 -8.030 6.215 4.261 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.127 6.003 3.614 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.874 4.907 5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.156 4.597 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.492 6.967 6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.587 9.336 7.676 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.053 9.218 7.302 1.00 0.00 H new ATOM 777 N GLY A 54 -5.349 3.933 2.311 1.00 0.00 N ATOM 778 CA GLY A 54 -5.391 2.653 1.550 1.00 0.00 C ATOM 779 C GLY A 54 -4.655 1.563 2.313 1.00 0.00 C ATOM 780 O GLY A 54 -3.652 1.799 2.949 1.00 0.00 O ATOM 0 H GLY A 54 -4.628 4.586 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.426 2.355 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.937 2.790 0.569 1.00 0.00 H new ATOM 784 N TYR A 55 -5.155 0.360 2.232 1.00 0.00 N ATOM 785 CA TYR A 55 -4.506 -0.794 2.930 1.00 0.00 C ATOM 786 C TYR A 55 -4.092 -1.842 1.904 1.00 0.00 C ATOM 787 O TYR A 55 -4.828 -2.174 0.997 1.00 0.00 O ATOM 788 CB TYR A 55 -5.488 -1.402 3.929 1.00 0.00 C ATOM 789 CG TYR A 55 -5.718 -0.420 5.052 1.00 0.00 C ATOM 790 CD1 TYR A 55 -6.617 0.640 4.887 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.022 -0.566 6.259 1.00 0.00 C ATOM 792 CE1 TYR A 55 -6.825 1.551 5.929 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.230 0.345 7.301 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.132 1.403 7.135 1.00 0.00 C ATOM 795 OH TYR A 55 -6.337 2.301 8.164 1.00 0.00 O ATOM 0 H TYR A 55 -5.996 0.122 1.706 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.621 -0.448 3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.431 -1.636 3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.093 -2.338 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.151 0.755 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.325 -1.381 6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.520 2.368 5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.695 0.232 8.232 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.779 2.053 8.930 1.00 0.00 H new ATOM 805 N VAL A 56 -2.903 -2.358 2.053 1.00 0.00 N ATOM 806 CA VAL A 56 -2.390 -3.392 1.103 1.00 0.00 C ATOM 807 C VAL A 56 -1.678 -4.508 1.867 1.00 0.00 C ATOM 808 O VAL A 56 -1.200 -4.328 2.969 1.00 0.00 O ATOM 809 CB VAL A 56 -1.405 -2.743 0.129 1.00 0.00 C ATOM 810 CG1 VAL A 56 -2.155 -1.770 -0.780 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.323 -1.984 0.907 1.00 0.00 C ATOM 0 H VAL A 56 -2.256 -2.106 2.800 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.232 -3.816 0.555 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.934 -3.519 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.454 -1.307 -1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.918 -2.310 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.629 -0.998 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.374 -1.525 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.789 -1.209 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.215 -2.678 1.552 1.00 0.00 H new ATOM 821 N ALA A 57 -1.614 -5.662 1.265 1.00 0.00 N ATOM 822 CA ALA A 57 -0.946 -6.833 1.905 1.00 0.00 C ATOM 823 C ALA A 57 0.570 -6.693 1.802 1.00 0.00 C ATOM 824 O ALA A 57 1.092 -6.046 0.917 1.00 0.00 O ATOM 825 CB ALA A 57 -1.393 -8.122 1.208 1.00 0.00 C ATOM 0 H ALA A 57 -2.003 -5.848 0.340 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.227 -6.872 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.905 -8.977 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.474 -8.228 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.119 -8.080 0.154 1.00 0.00 H new ATOM 831 N LYS A 58 1.271 -7.310 2.712 1.00 0.00 N ATOM 832 CA LYS A 58 2.761 -7.241 2.700 1.00 0.00 C ATOM 833 C LYS A 58 3.303 -8.029 1.507 1.00 0.00 C ATOM 834 O LYS A 58 4.445 -7.878 1.121 1.00 0.00 O ATOM 835 CB LYS A 58 3.317 -7.842 4.005 1.00 0.00 C ATOM 836 CG LYS A 58 2.799 -9.275 4.214 1.00 0.00 C ATOM 837 CD LYS A 58 3.632 -9.968 5.303 1.00 0.00 C ATOM 838 CE LYS A 58 3.414 -9.275 6.650 1.00 0.00 C ATOM 839 NZ LYS A 58 3.902 -10.157 7.750 1.00 0.00 N ATOM 0 H LYS A 58 0.873 -7.864 3.470 1.00 0.00 H new ATOM 0 HA LYS A 58 3.071 -6.199 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.407 -7.846 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.025 -7.219 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.748 -9.255 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.862 -9.835 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.349 -11.018 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.689 -9.940 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.944 -8.323 6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.356 -9.054 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.753 -9.685 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.377 -11.055 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.916 -10.347 7.619 1.00 0.00 H new ATOM 853 N GLU A 59 2.496 -8.881 0.944 1.00 0.00 N ATOM 854 CA GLU A 59 2.944 -9.715 -0.212 1.00 0.00 C ATOM 855 C GLU A 59 3.246 -8.819 -1.414 1.00 0.00 C ATOM 856 O GLU A 59 4.139 -9.092 -2.190 1.00 0.00 O ATOM 857 CB GLU A 59 1.824 -10.705 -0.578 1.00 0.00 C ATOM 858 CG GLU A 59 0.652 -9.956 -1.226 1.00 0.00 C ATOM 859 CD GLU A 59 -0.575 -10.871 -1.291 1.00 0.00 C ATOM 860 OE1 GLU A 59 -0.930 -11.428 -0.265 1.00 0.00 O ATOM 861 OE2 GLU A 59 -1.141 -10.998 -2.364 1.00 0.00 O ATOM 0 H GLU A 59 1.532 -9.040 1.237 1.00 0.00 H new ATOM 0 HA GLU A 59 3.848 -10.260 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.206 -11.462 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.483 -11.227 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.419 -9.060 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.927 -9.629 -2.229 1.00 0.00 H new ATOM 868 N TYR A 60 2.501 -7.760 -1.577 1.00 0.00 N ATOM 869 CA TYR A 60 2.730 -6.845 -2.736 1.00 0.00 C ATOM 870 C TYR A 60 3.694 -5.739 -2.312 1.00 0.00 C ATOM 871 O TYR A 60 4.180 -4.985 -3.130 1.00 0.00 O ATOM 872 CB TYR A 60 1.395 -6.216 -3.158 1.00 0.00 C ATOM 873 CG TYR A 60 0.435 -7.307 -3.583 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.706 -8.063 -4.731 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.722 -7.562 -2.835 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.178 -9.074 -5.128 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.606 -8.572 -3.234 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.333 -9.329 -4.380 1.00 0.00 C ATOM 879 OH TYR A 60 -2.201 -10.327 -4.771 1.00 0.00 O ATOM 0 H TYR A 60 1.740 -7.486 -0.956 1.00 0.00 H new ATOM 0 HA TYR A 60 3.150 -7.405 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.972 -5.646 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.554 -5.516 -3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.596 -7.866 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.932 -6.979 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.032 -9.657 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.498 -8.767 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.233 -11.022 -4.081 1.00 0.00 H new ATOM 889 N ILE A 61 3.977 -5.645 -1.038 1.00 0.00 N ATOM 890 CA ILE A 61 4.920 -4.590 -0.536 1.00 0.00 C ATOM 891 C ILE A 61 6.217 -5.233 -0.061 1.00 0.00 C ATOM 892 O ILE A 61 6.235 -6.054 0.833 1.00 0.00 O ATOM 893 CB ILE A 61 4.270 -3.835 0.627 1.00 0.00 C ATOM 894 CG1 ILE A 61 2.902 -3.285 0.192 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.178 -2.678 1.049 1.00 0.00 C ATOM 896 CD1 ILE A 61 3.044 -2.462 -1.096 1.00 0.00 C ATOM 0 H ILE A 61 3.595 -6.256 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 61 5.141 -3.895 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 61 4.130 -4.515 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.206 -4.108 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.483 -2.664 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.718 -2.138 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.145 -3.070 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.318 -2.000 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.068 -2.079 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.724 -1.628 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.442 -3.094 -1.890 1.00 0.00 H new ATOM 908 N LYS A 62 7.310 -4.843 -0.660 1.00 0.00 N ATOM 909 CA LYS A 62 8.640 -5.397 -0.266 1.00 0.00 C ATOM 910 C LYS A 62 9.737 -4.355 -0.499 1.00 0.00 C ATOM 911 O LYS A 62 9.503 -3.294 -1.047 1.00 0.00 O ATOM 912 CB LYS A 62 8.943 -6.652 -1.088 1.00 0.00 C ATOM 913 CG LYS A 62 8.891 -6.335 -2.588 1.00 0.00 C ATOM 914 CD LYS A 62 9.340 -7.569 -3.387 1.00 0.00 C ATOM 915 CE LYS A 62 8.244 -8.641 -3.360 1.00 0.00 C ATOM 916 NZ LYS A 62 8.509 -9.653 -4.418 1.00 0.00 N ATOM 0 H LYS A 62 7.339 -4.157 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 62 8.613 -5.654 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.928 -7.037 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.221 -7.433 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.879 -6.050 -2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.537 -5.487 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.557 -7.286 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.262 -7.969 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.215 -9.122 -2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.268 -8.182 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.681 -9.727 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.338 -9.364 -4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.694 -10.576 -3.977 1.00 0.00 H new ATOM 930 N ASP A 63 10.931 -4.671 -0.069 1.00 0.00 N ATOM 931 CA ASP A 63 12.094 -3.746 -0.230 1.00 0.00 C ATOM 932 C ASP A 63 11.777 -2.408 0.444 1.00 0.00 C ATOM 933 O ASP A 63 11.969 -1.353 -0.125 1.00 0.00 O ATOM 934 CB ASP A 63 12.394 -3.537 -1.719 1.00 0.00 C ATOM 935 CG ASP A 63 12.997 -4.817 -2.311 1.00 0.00 C ATOM 936 OD1 ASP A 63 13.440 -5.656 -1.543 1.00 0.00 O ATOM 937 OD2 ASP A 63 13.001 -4.936 -3.525 1.00 0.00 O ATOM 0 H ASP A 63 11.154 -5.550 0.397 1.00 0.00 H new ATOM 0 HA ASP A 63 12.974 -4.182 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.479 -3.275 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.086 -2.705 -1.847 1.00 0.00 H new ATOM 942 N ILE A 64 11.291 -2.457 1.655 1.00 0.00 N ATOM 943 CA ILE A 64 10.943 -1.204 2.392 1.00 0.00 C ATOM 944 C ILE A 64 12.215 -0.473 2.811 1.00 0.00 C ATOM 945 O ILE A 64 13.121 -1.045 3.378 1.00 0.00 O ATOM 946 CB ILE A 64 10.118 -1.557 3.634 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.778 -2.158 3.195 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.865 -0.290 4.452 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.058 -2.759 4.404 1.00 0.00 C ATOM 0 H ILE A 64 11.118 -3.319 2.172 1.00 0.00 H new ATOM 0 HA ILE A 64 10.361 -0.554 1.739 1.00 0.00 H new ATOM 0 HB ILE A 64 10.661 -2.280 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.157 -1.389 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.944 -2.926 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.278 -0.539 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.818 0.141 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.318 0.432 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.106 -3.185 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.677 -3.541 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.878 -1.980 5.144 1.00 0.00 H new ATOM 961 N LYS A 65 12.281 0.798 2.516 1.00 0.00 N ATOM 962 CA LYS A 65 13.495 1.604 2.863 1.00 0.00 C ATOM 963 C LYS A 65 13.216 2.475 4.082 1.00 0.00 C ATOM 964 O LYS A 65 12.149 3.031 4.243 1.00 0.00 O ATOM 965 CB LYS A 65 13.858 2.496 1.672 1.00 0.00 C ATOM 966 CG LYS A 65 13.970 1.658 0.388 1.00 0.00 C ATOM 967 CD LYS A 65 15.207 0.755 0.454 1.00 0.00 C ATOM 968 CE LYS A 65 15.379 0.018 -0.873 1.00 0.00 C ATOM 969 NZ LYS A 65 16.606 -0.826 -0.811 1.00 0.00 N ATOM 0 H LYS A 65 11.541 1.319 2.046 1.00 0.00 H new ATOM 0 HA LYS A 65 14.321 0.931 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.100 3.269 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.802 3.005 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.074 1.051 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.035 2.315 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.094 1.352 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.102 0.038 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.506 -0.603 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.456 0.733 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.727 -1.330 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.435 -0.222 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.514 -1.516 -0.039 1.00 0.00 H new ATOM 983 N ASP A 66 14.192 2.583 4.943 1.00 0.00 N ATOM 984 CA ASP A 66 14.048 3.404 6.184 1.00 0.00 C ATOM 985 C ASP A 66 14.667 4.782 5.964 1.00 0.00 C ATOM 986 O ASP A 66 15.862 4.926 5.797 1.00 0.00 O ATOM 987 CB ASP A 66 14.753 2.700 7.347 1.00 0.00 C ATOM 988 CG ASP A 66 13.962 1.449 7.743 1.00 0.00 C ATOM 989 OD1 ASP A 66 12.875 1.270 7.220 1.00 0.00 O ATOM 990 OD2 ASP A 66 14.457 0.697 8.565 1.00 0.00 O ATOM 0 H ASP A 66 15.100 2.129 4.838 1.00 0.00 H new ATOM 0 HA ASP A 66 12.990 3.521 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.768 2.425 7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.836 3.375 8.198 1.00 0.00 H new ATOM 995 N GLU A 67 13.849 5.792 5.963 1.00 0.00 N ATOM 996 CA GLU A 67 14.343 7.185 5.752 1.00 0.00 C ATOM 997 C GLU A 67 14.831 7.759 7.085 1.00 0.00 C ATOM 998 O GLU A 67 15.385 8.838 7.137 1.00 0.00 O ATOM 999 CB GLU A 67 13.187 8.040 5.213 1.00 0.00 C ATOM 1000 CG GLU A 67 12.788 7.553 3.810 1.00 0.00 C ATOM 1001 CD GLU A 67 11.851 6.345 3.912 1.00 0.00 C ATOM 1002 OE1 GLU A 67 11.632 5.874 5.016 1.00 0.00 O ATOM 1003 OE2 GLU A 67 11.365 5.914 2.879 1.00 0.00 O ATOM 0 H GLU A 67 12.841 5.714 6.101 1.00 0.00 H new ATOM 0 HA GLU A 67 15.168 7.186 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.332 7.978 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.485 9.088 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.296 8.358 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.680 7.283 3.244 1.00 0.00 H new ATOM 1010 N VAL A 68 14.625 7.040 8.151 1.00 0.00 N ATOM 1011 CA VAL A 68 15.061 7.519 9.503 1.00 0.00 C ATOM 1012 C VAL A 68 16.534 7.171 9.738 1.00 0.00 C ATOM 1013 O VAL A 68 16.981 6.074 9.471 1.00 0.00 O ATOM 1014 CB VAL A 68 14.198 6.854 10.579 1.00 0.00 C ATOM 1015 CG1 VAL A 68 14.734 7.224 11.964 1.00 0.00 C ATOM 1016 CG2 VAL A 68 12.751 7.341 10.444 1.00 0.00 C ATOM 0 H VAL A 68 14.168 6.128 8.149 1.00 0.00 H new ATOM 0 HA VAL A 68 14.943 8.601 9.553 1.00 0.00 H new ATOM 0 HB VAL A 68 14.231 5.772 10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.120 6.751 12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.763 6.879 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.701 8.306 12.090 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.135 6.869 11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.718 8.423 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.369 7.078 9.458 1.00 0.00 H new ATOM 1026 N LEU A 69 17.286 8.118 10.233 1.00 0.00 N ATOM 1027 CA LEU A 69 18.741 7.889 10.488 1.00 0.00 C ATOM 1028 C LEU A 69 18.923 6.824 11.566 1.00 0.00 C ATOM 1029 O LEU A 69 18.270 6.831 12.589 1.00 0.00 O ATOM 1030 CB LEU A 69 19.389 9.198 10.953 1.00 0.00 C ATOM 1031 CG LEU A 69 19.103 10.313 9.939 1.00 0.00 C ATOM 1032 CD1 LEU A 69 19.738 11.618 10.429 1.00 0.00 C ATOM 1033 CD2 LEU A 69 19.694 9.935 8.571 1.00 0.00 C ATOM 0 H LEU A 69 16.952 9.051 10.475 1.00 0.00 H new ATOM 0 HA LEU A 69 19.215 7.549 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.001 9.478 11.933 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.465 9.062 11.063 1.00 0.00 H new ATOM 0 HG LEU A 69 18.026 10.445 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.537 12.413 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.315 11.888 11.397 1.00 0.00 H new ATOM 0 HD13 LEU A 69 20.815 11.483 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 19.489 10.730 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.772 9.800 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.241 9.006 8.223 1.00 0.00 H new ATOM 1045 N GLU A 70 19.819 5.909 11.323 1.00 0.00 N ATOM 1046 CA GLU A 70 20.083 4.814 12.300 1.00 0.00 C ATOM 1047 C GLU A 70 20.863 5.352 13.497 1.00 0.00 C ATOM 1048 O GLU A 70 21.730 6.190 13.368 1.00 0.00 O ATOM 1049 CB GLU A 70 20.885 3.706 11.612 1.00 0.00 C ATOM 1050 CG GLU A 70 20.055 3.098 10.476 1.00 0.00 C ATOM 1051 CD GLU A 70 18.863 2.328 11.053 1.00 0.00 C ATOM 1052 OE1 GLU A 70 18.819 2.152 12.260 1.00 0.00 O ATOM 1053 OE2 GLU A 70 18.010 1.931 10.277 1.00 0.00 O ATOM 0 H GLU A 70 20.388 5.872 10.477 1.00 0.00 H new ATOM 0 HA GLU A 70 19.134 4.412 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 21.818 4.110 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 70 21.151 2.934 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 70 19.702 3.886 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 70 20.675 2.430 9.878 1.00 0.00 H new ATOM 1060 N HIS A 71 20.538 4.867 14.662 1.00 0.00 N ATOM 1061 CA HIS A 71 21.220 5.328 15.905 1.00 0.00 C ATOM 1062 C HIS A 71 22.650 4.792 15.960 1.00 0.00 C ATOM 1063 O HIS A 71 22.958 3.739 15.442 1.00 0.00 O ATOM 1064 CB HIS A 71 20.438 4.832 17.123 1.00 0.00 C ATOM 1065 CG HIS A 71 21.147 5.260 18.381 1.00 0.00 C ATOM 1066 ND1 HIS A 71 21.121 6.570 18.831 1.00 0.00 N ATOM 1067 CD2 HIS A 71 21.907 4.567 19.290 1.00 0.00 C ATOM 1068 CE1 HIS A 71 21.847 6.625 19.962 1.00 0.00 C ATOM 1069 NE2 HIS A 71 22.348 5.430 20.287 1.00 0.00 N ATOM 0 H HIS A 71 19.818 4.160 14.809 1.00 0.00 H new ATOM 0 HA HIS A 71 21.256 6.417 15.907 1.00 0.00 H new ATOM 0 HB2 HIS A 71 19.426 5.235 17.108 1.00 0.00 H new ATOM 0 HB3 HIS A 71 20.349 3.746 17.094 1.00 0.00 H new ATOM 0 HD2 HIS A 71 22.129 3.511 19.239 1.00 0.00 H new ATOM 0 HE1 HIS A 71 22.006 7.525 20.537 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.929 5.200 21.093 1.00 0.00 H new ATOM 1077 N HIS A 72 23.522 5.534 16.584 1.00 0.00 N ATOM 1078 CA HIS A 72 24.951 5.118 16.687 1.00 0.00 C ATOM 1079 C HIS A 72 25.094 3.915 17.620 1.00 0.00 C ATOM 1080 O HIS A 72 24.470 3.833 18.656 1.00 0.00 O ATOM 1081 CB HIS A 72 25.780 6.290 17.226 1.00 0.00 C ATOM 1082 CG HIS A 72 25.716 7.438 16.254 1.00 0.00 C ATOM 1083 ND1 HIS A 72 26.447 7.447 15.076 1.00 0.00 N ATOM 1084 CD2 HIS A 72 25.012 8.616 16.267 1.00 0.00 C ATOM 1085 CE1 HIS A 72 26.167 8.598 14.435 1.00 0.00 C ATOM 1086 NE2 HIS A 72 25.297 9.346 15.118 1.00 0.00 N ATOM 0 H HIS A 72 23.303 6.423 17.033 1.00 0.00 H new ATOM 0 HA HIS A 72 25.310 4.834 15.698 1.00 0.00 H new ATOM 0 HB2 HIS A 72 25.400 6.601 18.199 1.00 0.00 H new ATOM 0 HB3 HIS A 72 26.815 5.981 17.372 1.00 0.00 H new ATOM 0 HD2 HIS A 72 24.338 8.929 17.051 1.00 0.00 H new ATOM 0 HE1 HIS A 72 26.594 8.881 13.484 1.00 0.00 H new ATOM 0 HE2 HIS A 72 24.922 10.257 14.854 1.00 0.00 H new ATOM 1094 N HIS A 73 25.924 2.987 17.235 1.00 0.00 N ATOM 1095 CA HIS A 73 26.150 1.763 18.055 1.00 0.00 C ATOM 1096 C HIS A 73 24.806 1.192 18.499 1.00 0.00 C ATOM 1097 O HIS A 73 24.391 1.348 19.630 1.00 0.00 O ATOM 1098 CB HIS A 73 27.008 2.110 19.272 1.00 0.00 C ATOM 1099 CG HIS A 73 28.374 2.540 18.810 1.00 0.00 C ATOM 1100 ND1 HIS A 73 29.292 1.645 18.280 1.00 0.00 N ATOM 1101 CD2 HIS A 73 28.995 3.765 18.794 1.00 0.00 C ATOM 1102 CE1 HIS A 73 30.403 2.339 17.970 1.00 0.00 C ATOM 1103 NE2 HIS A 73 30.275 3.636 18.264 1.00 0.00 N ATOM 0 H HIS A 73 26.465 3.025 16.371 1.00 0.00 H new ATOM 0 HA HIS A 73 26.673 1.015 17.459 1.00 0.00 H new ATOM 0 HB2 HIS A 73 26.538 2.908 19.847 1.00 0.00 H new ATOM 0 HB3 HIS A 73 27.090 1.246 19.932 1.00 0.00 H new ATOM 0 HD2 HIS A 73 28.556 4.689 19.141 1.00 0.00 H new ATOM 0 HE1 HIS A 73 31.290 1.901 17.536 1.00 0.00 H new ATOM 0 HE2 HIS A 73 30.967 4.373 18.129 1.00 0.00 H new ATOM 1111 N HIS A 74 24.128 0.530 17.602 1.00 0.00 N ATOM 1112 CA HIS A 74 22.803 -0.066 17.932 1.00 0.00 C ATOM 1113 C HIS A 74 22.981 -1.111 19.031 1.00 0.00 C ATOM 1114 O HIS A 74 22.203 -1.183 19.961 1.00 0.00 O ATOM 1115 CB HIS A 74 22.222 -0.738 16.685 1.00 0.00 C ATOM 1116 CG HIS A 74 20.884 -1.330 17.025 1.00 0.00 C ATOM 1117 ND1 HIS A 74 19.764 -0.544 17.241 1.00 0.00 N ATOM 1118 CD2 HIS A 74 20.471 -2.629 17.206 1.00 0.00 C ATOM 1119 CE1 HIS A 74 18.742 -1.366 17.539 1.00 0.00 C ATOM 1120 NE2 HIS A 74 19.119 -2.648 17.531 1.00 0.00 N ATOM 0 H HIS A 74 24.440 0.375 16.643 1.00 0.00 H new ATOM 0 HA HIS A 74 22.125 0.716 18.274 1.00 0.00 H new ATOM 0 HB2 HIS A 74 22.118 -0.011 15.880 1.00 0.00 H new ATOM 0 HB3 HIS A 74 22.897 -1.515 16.327 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.101 -3.501 17.110 1.00 0.00 H new ATOM 0 HE1 HIS A 74 17.739 -1.031 17.758 1.00 0.00 H new ATOM 0 HE2 HIS A 74 18.539 -3.465 17.722 1.00 0.00 H new ATOM 1128 N HIS A 75 23.999 -1.919 18.927 1.00 0.00 N ATOM 1129 CA HIS A 75 24.246 -2.970 19.960 1.00 0.00 C ATOM 1130 C HIS A 75 25.750 -3.200 20.119 1.00 0.00 C ATOM 1131 O HIS A 75 26.500 -3.219 19.165 1.00 0.00 O ATOM 1132 CB HIS A 75 23.575 -4.278 19.530 1.00 0.00 C ATOM 1133 CG HIS A 75 23.520 -5.221 20.703 1.00 0.00 C ATOM 1134 ND1 HIS A 75 24.498 -6.178 20.935 1.00 0.00 N ATOM 1135 CD2 HIS A 75 22.611 -5.361 21.722 1.00 0.00 C ATOM 1136 CE1 HIS A 75 24.156 -6.843 22.054 1.00 0.00 C ATOM 1137 NE2 HIS A 75 23.014 -6.385 22.573 1.00 0.00 N ATOM 0 H HIS A 75 24.677 -1.898 18.165 1.00 0.00 H new ATOM 0 HA HIS A 75 23.830 -2.640 20.912 1.00 0.00 H new ATOM 0 HB2 HIS A 75 22.569 -4.079 19.162 1.00 0.00 H new ATOM 0 HB3 HIS A 75 24.131 -4.732 18.710 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.718 -4.766 21.845 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.735 -7.649 22.480 1.00 0.00 H new ATOM 0 HE2 HIS A 75 22.539 -6.715 23.413 1.00 0.00 H new ATOM 1145 N HIS A 76 26.182 -3.380 21.336 1.00 0.00 N ATOM 1146 CA HIS A 76 27.628 -3.620 21.610 1.00 0.00 C ATOM 1147 C HIS A 76 27.802 -4.057 23.068 1.00 0.00 C ATOM 1148 O HIS A 76 26.827 -4.495 23.658 1.00 0.00 O ATOM 1149 CB HIS A 76 28.417 -2.333 21.365 1.00 0.00 C ATOM 1150 CG HIS A 76 27.946 -1.258 22.308 1.00 0.00 C ATOM 1151 ND1 HIS A 76 26.895 -0.410 21.997 1.00 0.00 N ATOM 1152 CD2 HIS A 76 28.380 -0.875 23.553 1.00 0.00 C ATOM 1153 CE1 HIS A 76 26.734 0.435 23.033 1.00 0.00 C ATOM 1154 NE2 HIS A 76 27.613 0.196 24.008 1.00 0.00 N ATOM 1155 OXT HIS A 76 28.910 -3.949 23.570 1.00 0.00 O ATOM 0 H HIS A 76 25.587 -3.371 22.164 1.00 0.00 H new ATOM 0 HA HIS A 76 27.999 -4.402 20.947 1.00 0.00 H new ATOM 0 HB2 HIS A 76 29.482 -2.515 21.510 1.00 0.00 H new ATOM 0 HB3 HIS A 76 28.287 -2.007 20.333 1.00 0.00 H new ATOM 0 HD2 HIS A 76 29.192 -1.334 24.097 1.00 0.00 H new ATOM 0 HE1 HIS A 76 25.985 1.212 23.070 1.00 0.00 H new ATOM 0 HE2 HIS A 76 27.704 0.691 24.895 1.00 0.00 H new TER 1163 HIS A 76