USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 89 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.22) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 HIS :FLIP no HD1:sc= -0.0728 F(o=-0.63,f=-0.081) USER MOD Set 2.2: A 87 GLN : amide:sc=-0.00794 X(o=-0.081,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0183 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 0.153 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 69:sc= 1.25 USER MOD Single : A 6 SER OG : rot 73:sc= 1.25 USER MOD Single : A 8 TYR OH : rot 22:sc= 0.393 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 139:sc= -0.0103 (180deg=-0.526) USER MOD Single : A 20 SER OG : rot 93:sc= 1.3 USER MOD Single : A 34 GLN : amide:sc= 0.0477 K(o=0.048,f=-1.1) USER MOD Single : A 44 MET CE :methyl 168:sc= 0 (180deg=-0.0492) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.3) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.433 F(o=-0.99,f=-0.43) USER MOD Single : A 74 TYR OH : rot -147:sc= -0.332 USER MOD Single : A 79 MET CE :methyl -179:sc= -0.936 (180deg=-0.941) USER MOD Single : A 80 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.23) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.714 K(o=0.71,f=-1.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -0:sc= 1.12 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 50:sc= 0.0253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.440 3.803 24.521 1.00 0.00 N ATOM 2 CA GLY A 1 -11.513 2.342 24.473 1.00 0.00 C ATOM 3 C GLY A 1 -10.137 1.767 24.190 1.00 0.00 C ATOM 4 O GLY A 1 -9.397 2.281 23.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.250 4.208 24.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.463 4.119 25.511 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.555 4.121 24.076 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.890 1.956 25.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.214 2.029 23.699 1.00 0.00 H new ATOM 8 N SER A 2 -9.770 0.740 24.953 1.00 0.00 N ATOM 9 CA SER A 2 -8.474 0.080 24.925 1.00 0.00 C ATOM 10 C SER A 2 -8.667 -1.353 25.404 1.00 0.00 C ATOM 11 O SER A 2 -9.019 -1.562 26.570 1.00 0.00 O ATOM 12 CB SER A 2 -7.488 0.799 25.857 1.00 0.00 C ATOM 13 OG SER A 2 -7.106 2.055 25.336 1.00 0.00 O ATOM 0 H SER A 2 -10.402 0.328 25.640 1.00 0.00 H new ATOM 0 HA SER A 2 -8.070 0.100 23.913 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.945 0.934 26.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.603 0.179 26.001 1.00 0.00 H new ATOM 0 HG SER A 2 -7.652 2.263 24.549 1.00 0.00 H new ATOM 19 N SER A 3 -8.468 -2.329 24.527 1.00 0.00 N ATOM 20 CA SER A 3 -8.388 -3.733 24.887 1.00 0.00 C ATOM 21 C SER A 3 -7.626 -4.400 23.733 1.00 0.00 C ATOM 22 O SER A 3 -6.456 -4.079 23.524 1.00 0.00 O ATOM 23 CB SER A 3 -9.812 -4.252 25.182 1.00 0.00 C ATOM 24 OG SER A 3 -9.799 -5.128 26.285 1.00 0.00 O ATOM 0 H SER A 3 -8.356 -2.160 23.527 1.00 0.00 H new ATOM 0 HA SER A 3 -7.842 -3.956 25.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.477 -3.412 25.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.207 -4.767 24.306 1.00 0.00 H new ATOM 0 HG SER A 3 -10.709 -5.447 26.460 1.00 0.00 H new ATOM 30 N GLY A 4 -8.280 -5.193 22.889 1.00 0.00 N ATOM 31 CA GLY A 4 -7.734 -5.703 21.645 1.00 0.00 C ATOM 32 C GLY A 4 -8.880 -6.330 20.881 1.00 0.00 C ATOM 33 O GLY A 4 -9.523 -7.227 21.420 1.00 0.00 O ATOM 0 H GLY A 4 -9.235 -5.506 23.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.279 -4.900 21.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.953 -6.438 21.840 1.00 0.00 H new ATOM 37 N SER A 5 -9.202 -5.819 19.690 1.00 0.00 N ATOM 38 CA SER A 5 -10.203 -6.361 18.777 1.00 0.00 C ATOM 39 C SER A 5 -10.383 -5.462 17.557 1.00 0.00 C ATOM 40 O SER A 5 -10.118 -4.257 17.584 1.00 0.00 O ATOM 41 CB SER A 5 -11.577 -6.499 19.467 1.00 0.00 C ATOM 42 OG SER A 5 -11.693 -7.778 20.057 1.00 0.00 O ATOM 0 H SER A 5 -8.751 -4.981 19.323 1.00 0.00 H new ATOM 0 HA SER A 5 -9.840 -7.342 18.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.691 -5.726 20.228 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.375 -6.351 18.740 1.00 0.00 H new ATOM 0 HG SER A 5 -11.080 -7.844 20.819 1.00 0.00 H new ATOM 48 N SER A 6 -10.982 -6.057 16.535 1.00 0.00 N ATOM 49 CA SER A 6 -11.931 -5.448 15.623 1.00 0.00 C ATOM 50 C SER A 6 -12.946 -6.550 15.248 1.00 0.00 C ATOM 51 O SER A 6 -12.871 -7.673 15.770 1.00 0.00 O ATOM 52 CB SER A 6 -11.161 -4.832 14.441 1.00 0.00 C ATOM 53 OG SER A 6 -10.304 -5.769 13.799 1.00 0.00 O ATOM 0 H SER A 6 -10.806 -7.036 16.310 1.00 0.00 H new ATOM 0 HA SER A 6 -12.493 -4.620 16.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.872 -4.438 13.715 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.569 -3.989 14.797 1.00 0.00 H new ATOM 0 HG SER A 6 -10.843 -6.406 13.285 1.00 0.00 H new ATOM 59 N GLY A 7 -13.877 -6.273 14.336 1.00 0.00 N ATOM 60 CA GLY A 7 -14.345 -7.277 13.388 1.00 0.00 C ATOM 61 C GLY A 7 -13.349 -7.330 12.236 1.00 0.00 C ATOM 62 O GLY A 7 -12.212 -6.875 12.378 1.00 0.00 O ATOM 0 H GLY A 7 -14.321 -5.360 14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.423 -8.251 13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.340 -7.022 13.022 1.00 0.00 H new ATOM 66 N TYR A 8 -13.765 -7.886 11.096 1.00 0.00 N ATOM 67 CA TYR A 8 -12.909 -8.168 9.945 1.00 0.00 C ATOM 68 C TYR A 8 -11.636 -8.932 10.340 1.00 0.00 C ATOM 69 O TYR A 8 -11.472 -9.405 11.467 1.00 0.00 O ATOM 70 CB TYR A 8 -12.699 -6.901 9.076 1.00 0.00 C ATOM 71 CG TYR A 8 -11.970 -5.747 9.708 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.579 -5.807 9.851 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.683 -4.613 10.133 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.894 -4.762 10.472 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.998 -3.551 10.758 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.597 -3.640 10.952 1.00 0.00 C ATOM 77 OH TYR A 8 -9.896 -2.639 11.547 1.00 0.00 O ATOM 0 H TYR A 8 -14.736 -8.160 10.945 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.425 -8.866 9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.155 -7.194 8.178 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.678 -6.546 8.754 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.035 -6.663 9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.751 -4.555 9.982 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.821 -4.814 10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.538 -2.675 11.087 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.961 -2.677 11.256 1.00 0.00 H new ATOM 87 N LYS A 9 -10.776 -9.158 9.358 1.00 0.00 N ATOM 88 CA LYS A 9 -9.420 -9.652 9.509 1.00 0.00 C ATOM 89 C LYS A 9 -8.596 -8.728 8.639 1.00 0.00 C ATOM 90 O LYS A 9 -9.003 -8.479 7.501 1.00 0.00 O ATOM 91 CB LYS A 9 -9.343 -11.100 9.011 1.00 0.00 C ATOM 92 CG LYS A 9 -9.874 -12.098 10.046 1.00 0.00 C ATOM 93 CD LYS A 9 -10.145 -13.476 9.437 1.00 0.00 C ATOM 94 CE LYS A 9 -8.854 -14.149 8.953 1.00 0.00 C ATOM 95 NZ LYS A 9 -8.810 -15.584 9.291 1.00 0.00 N ATOM 0 H LYS A 9 -11.021 -8.992 8.382 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.071 -9.659 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.916 -11.196 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.309 -11.345 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.152 -12.197 10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.793 -11.709 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.631 -14.112 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.837 -13.374 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.768 -14.030 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.996 -13.646 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.920 -15.995 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.866 -15.699 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.613 -16.071 8.844 1.00 0.00 H new ATOM 109 N GLU A 10 -7.508 -8.177 9.165 1.00 0.00 N ATOM 110 CA GLU A 10 -6.528 -7.465 8.360 1.00 0.00 C ATOM 111 C GLU A 10 -5.618 -8.549 7.800 1.00 0.00 C ATOM 112 O GLU A 10 -5.048 -9.357 8.544 1.00 0.00 O ATOM 113 CB GLU A 10 -5.749 -6.433 9.201 1.00 0.00 C ATOM 114 CG GLU A 10 -6.348 -5.045 8.931 1.00 0.00 C ATOM 115 CD GLU A 10 -6.081 -3.970 9.985 1.00 0.00 C ATOM 116 OE1 GLU A 10 -5.037 -4.026 10.671 1.00 0.00 O ATOM 117 OE2 GLU A 10 -6.973 -3.112 10.175 1.00 0.00 O ATOM 0 H GLU A 10 -7.283 -8.212 10.159 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.995 -6.885 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.817 -6.677 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.691 -6.449 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.965 -4.688 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.427 -5.155 8.821 1.00 0.00 H new ATOM 124 N LEU A 11 -5.548 -8.624 6.478 1.00 0.00 N ATOM 125 CA LEU A 11 -4.732 -9.585 5.775 1.00 0.00 C ATOM 126 C LEU A 11 -3.482 -8.836 5.335 1.00 0.00 C ATOM 127 O LEU A 11 -3.530 -7.843 4.610 1.00 0.00 O ATOM 128 CB LEU A 11 -5.448 -10.297 4.619 1.00 0.00 C ATOM 129 CG LEU A 11 -6.938 -10.687 4.718 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.315 -11.337 6.052 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.899 -9.545 4.386 1.00 0.00 C ATOM 0 H LEU A 11 -6.070 -8.003 5.859 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.481 -10.413 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.344 -9.660 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.892 -11.213 4.417 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.057 -11.443 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.377 -11.584 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.731 -12.247 6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.106 -10.644 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.927 -9.896 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.735 -8.719 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.721 -9.205 3.366 1.00 0.00 H new ATOM 143 N ASP A 12 -2.358 -9.282 5.867 1.00 0.00 N ATOM 144 CA ASP A 12 -1.044 -8.714 5.715 1.00 0.00 C ATOM 145 C ASP A 12 -0.393 -9.296 4.475 1.00 0.00 C ATOM 146 O ASP A 12 -0.359 -10.520 4.297 1.00 0.00 O ATOM 147 CB ASP A 12 -0.203 -9.020 6.961 1.00 0.00 C ATOM 148 CG ASP A 12 -0.357 -10.435 7.539 1.00 0.00 C ATOM 149 OD1 ASP A 12 -1.454 -10.762 8.047 1.00 0.00 O ATOM 150 OD2 ASP A 12 0.623 -11.221 7.543 1.00 0.00 O ATOM 0 H ASP A 12 -2.347 -10.112 6.459 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.116 -7.632 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.847 -8.860 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.462 -8.300 7.737 1.00 0.00 H new ATOM 155 N VAL A 13 0.128 -8.410 3.632 1.00 0.00 N ATOM 156 CA VAL A 13 0.869 -8.729 2.425 1.00 0.00 C ATOM 157 C VAL A 13 2.158 -7.887 2.449 1.00 0.00 C ATOM 158 O VAL A 13 2.227 -6.824 3.081 1.00 0.00 O ATOM 159 CB VAL A 13 -0.051 -8.499 1.200 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.700 -8.751 -0.106 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.287 -9.408 1.253 1.00 0.00 C ATOM 0 H VAL A 13 0.039 -7.405 3.782 1.00 0.00 H new ATOM 0 HA VAL A 13 1.174 -9.773 2.361 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.373 -7.458 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.030 -8.582 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.549 -8.070 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.058 -9.780 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.913 -9.223 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.971 -10.451 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.856 -9.196 2.158 1.00 0.00 H new ATOM 171 N HIS A 14 3.243 -8.399 1.872 1.00 0.00 N ATOM 172 CA HIS A 14 4.443 -7.637 1.589 1.00 0.00 C ATOM 173 C HIS A 14 4.784 -7.931 0.146 1.00 0.00 C ATOM 174 O HIS A 14 4.781 -9.109 -0.226 1.00 0.00 O ATOM 175 CB HIS A 14 5.568 -8.028 2.544 1.00 0.00 C ATOM 176 CG HIS A 14 6.878 -7.383 2.186 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.876 -7.960 1.446 1.00 0.00 N flip ATOM 178 CD2 HIS A 14 7.276 -6.106 2.508 1.00 0.00 C flip ATOM 179 CE1 HIS A 14 8.911 -7.024 1.329 1.00 0.00 C flip ATOM 180 NE2 HIS A 14 8.497 -5.929 1.993 1.00 0.00 N flip ATOM 0 H HIS A 14 3.307 -9.376 1.585 1.00 0.00 H new ATOM 0 HA HIS A 14 4.296 -6.567 1.736 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.293 -7.744 3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.686 -9.112 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.708 -5.381 3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.850 -7.154 0.811 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.044 -5.074 2.091 1.00 0.00 H new ATOM 188 N LEU A 15 5.100 -6.904 -0.638 1.00 0.00 N ATOM 189 CA LEU A 15 5.536 -7.090 -2.016 1.00 0.00 C ATOM 190 C LEU A 15 6.879 -6.427 -2.241 1.00 0.00 C ATOM 191 O LEU A 15 7.054 -5.244 -1.970 1.00 0.00 O ATOM 192 CB LEU A 15 4.504 -6.558 -3.024 1.00 0.00 C ATOM 193 CG LEU A 15 3.681 -7.685 -3.664 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.494 -8.094 -2.831 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.225 -7.287 -5.074 1.00 0.00 C ATOM 0 H LEU A 15 5.061 -5.930 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 15 5.634 -8.163 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.833 -5.862 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.018 -5.997 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 15 4.340 -8.551 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.953 -8.894 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.836 -8.446 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.833 -7.238 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.643 -8.099 -5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.610 -6.389 -5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.098 -7.090 -5.697 1.00 0.00 H new ATOM 207 N ARG A 16 7.822 -7.169 -2.808 1.00 0.00 N ATOM 208 CA ARG A 16 9.086 -6.601 -3.283 1.00 0.00 C ATOM 209 C ARG A 16 8.889 -5.950 -4.645 1.00 0.00 C ATOM 210 O ARG A 16 7.950 -6.256 -5.384 1.00 0.00 O ATOM 211 CB ARG A 16 10.185 -7.674 -3.348 1.00 0.00 C ATOM 212 CG ARG A 16 10.670 -8.084 -1.952 1.00 0.00 C ATOM 213 CD ARG A 16 11.973 -7.404 -1.504 1.00 0.00 C ATOM 214 NE ARG A 16 12.661 -8.193 -0.469 1.00 0.00 N ATOM 215 CZ ARG A 16 13.866 -7.907 0.041 1.00 0.00 C ATOM 216 NH1 ARG A 16 14.489 -6.773 -0.252 1.00 0.00 N ATOM 217 NH2 ARG A 16 14.474 -8.778 0.835 1.00 0.00 N ATOM 0 H ARG A 16 7.737 -8.175 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 16 9.407 -5.839 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.805 -8.551 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.027 -7.296 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.888 -7.855 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.814 -9.164 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.632 -7.274 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.752 -6.409 -1.118 1.00 0.00 H new ATOM 0 HE ARG A 16 12.183 -9.021 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.051 -6.097 -0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.406 -6.577 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.024 -9.666 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.392 -8.560 1.223 1.00 0.00 H new ATOM 231 N ARG A 17 9.851 -5.110 -5.019 1.00 0.00 N ATOM 232 CA ARG A 17 10.045 -4.626 -6.375 1.00 0.00 C ATOM 233 C ARG A 17 11.389 -5.197 -6.805 1.00 0.00 C ATOM 234 O ARG A 17 12.430 -4.736 -6.336 1.00 0.00 O ATOM 235 CB ARG A 17 10.017 -3.093 -6.390 1.00 0.00 C ATOM 236 CG ARG A 17 10.089 -2.496 -7.800 1.00 0.00 C ATOM 237 CD ARG A 17 10.355 -0.990 -7.752 1.00 0.00 C ATOM 238 NE ARG A 17 10.180 -0.338 -9.064 1.00 0.00 N ATOM 239 CZ ARG A 17 10.750 0.814 -9.434 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.484 1.507 -8.573 1.00 0.00 N ATOM 241 NH2 ARG A 17 10.600 1.295 -10.662 1.00 0.00 N ATOM 0 H ARG A 17 10.537 -4.738 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 17 9.260 -4.939 -7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.104 -2.749 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.853 -2.716 -5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.879 -2.989 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.153 -2.686 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.681 -0.529 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.371 -0.816 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 17 9.577 -0.803 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.616 1.162 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.916 2.385 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.041 0.784 -11.345 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.044 2.176 -10.923 1.00 0.00 H new ATOM 255 N MET A 18 11.381 -6.251 -7.613 1.00 0.00 N ATOM 256 CA MET A 18 12.585 -6.910 -8.113 1.00 0.00 C ATOM 257 C MET A 18 12.232 -7.403 -9.508 1.00 0.00 C ATOM 258 O MET A 18 12.741 -6.887 -10.503 1.00 0.00 O ATOM 259 CB MET A 18 13.079 -8.024 -7.161 1.00 0.00 C ATOM 260 CG MET A 18 11.997 -8.917 -6.523 1.00 0.00 C ATOM 261 SD MET A 18 12.598 -10.339 -5.574 1.00 0.00 S ATOM 262 CE MET A 18 13.608 -9.526 -4.310 1.00 0.00 C ATOM 0 H MET A 18 10.519 -6.682 -7.947 1.00 0.00 H new ATOM 0 HA MET A 18 13.433 -6.227 -8.160 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.767 -8.664 -7.714 1.00 0.00 H new ATOM 0 HB3 MET A 18 13.652 -7.558 -6.359 1.00 0.00 H new ATOM 0 HG2 MET A 18 11.385 -8.299 -5.866 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.344 -9.284 -7.315 1.00 0.00 H new ATOM 0 HE1 MET A 18 13.447 -10.012 -3.348 1.00 0.00 H new ATOM 0 HE2 MET A 18 14.661 -9.600 -4.583 1.00 0.00 H new ATOM 0 HE3 MET A 18 13.325 -8.476 -4.238 1.00 0.00 H new ATOM 272 N GLU A 19 11.253 -8.301 -9.569 1.00 0.00 N ATOM 273 CA GLU A 19 10.346 -8.503 -10.689 1.00 0.00 C ATOM 274 C GLU A 19 9.448 -7.252 -10.842 1.00 0.00 C ATOM 275 O GLU A 19 9.664 -6.254 -10.149 1.00 0.00 O ATOM 276 CB GLU A 19 9.568 -9.806 -10.397 1.00 0.00 C ATOM 277 CG GLU A 19 9.682 -10.826 -11.540 1.00 0.00 C ATOM 278 CD GLU A 19 8.933 -10.377 -12.788 1.00 0.00 C ATOM 279 OE1 GLU A 19 7.786 -9.903 -12.639 1.00 0.00 O ATOM 280 OE2 GLU A 19 9.464 -10.477 -13.912 1.00 0.00 O ATOM 0 H GLU A 19 11.063 -8.940 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 19 10.858 -8.619 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.945 -10.252 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.517 -9.569 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.733 -10.979 -11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.289 -11.787 -11.208 1.00 0.00 H new ATOM 287 N SER A 20 8.430 -7.309 -11.707 1.00 0.00 N ATOM 288 CA SER A 20 7.781 -6.217 -12.448 1.00 0.00 C ATOM 289 C SER A 20 7.029 -5.153 -11.615 1.00 0.00 C ATOM 290 O SER A 20 6.301 -4.327 -12.177 1.00 0.00 O ATOM 291 CB SER A 20 6.807 -6.850 -13.456 1.00 0.00 C ATOM 292 OG SER A 20 7.411 -7.863 -14.246 1.00 0.00 O ATOM 0 H SER A 20 7.997 -8.206 -11.929 1.00 0.00 H new ATOM 0 HA SER A 20 8.594 -5.658 -12.912 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.959 -7.273 -12.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.413 -6.072 -14.110 1.00 0.00 H new ATOM 0 HG SER A 20 7.276 -8.735 -13.819 1.00 0.00 H new ATOM 298 N GLY A 21 7.191 -5.142 -10.293 1.00 0.00 N ATOM 299 CA GLY A 21 6.898 -3.997 -9.453 1.00 0.00 C ATOM 300 C GLY A 21 5.412 -3.850 -9.175 1.00 0.00 C ATOM 301 O GLY A 21 4.748 -2.979 -9.741 1.00 0.00 O ATOM 0 H GLY A 21 7.537 -5.948 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.434 -4.095 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.266 -3.092 -9.936 1.00 0.00 H new ATOM 305 N PHE A 22 4.945 -4.673 -8.237 1.00 0.00 N ATOM 306 CA PHE A 22 3.616 -4.659 -7.642 1.00 0.00 C ATOM 307 C PHE A 22 2.518 -4.795 -8.696 1.00 0.00 C ATOM 308 O PHE A 22 1.907 -3.817 -9.132 1.00 0.00 O ATOM 309 CB PHE A 22 3.411 -3.470 -6.685 1.00 0.00 C ATOM 310 CG PHE A 22 4.649 -2.826 -6.088 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.601 -3.595 -5.391 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.813 -1.431 -6.171 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.666 -2.962 -4.735 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.842 -0.794 -5.459 1.00 0.00 C ATOM 315 CZ PHE A 22 6.749 -1.561 -4.713 1.00 0.00 C ATOM 0 H PHE A 22 5.527 -5.416 -7.849 1.00 0.00 H new ATOM 0 HA PHE A 22 3.536 -5.546 -7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.857 -2.699 -7.221 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.778 -3.805 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.511 -4.671 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.144 -0.847 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.425 -3.554 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.935 0.282 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.511 -1.074 -4.122 1.00 0.00 H new ATOM 325 N GLY A 23 2.260 -6.036 -9.107 1.00 0.00 N ATOM 326 CA GLY A 23 1.278 -6.360 -10.130 1.00 0.00 C ATOM 327 C GLY A 23 -0.147 -6.312 -9.590 1.00 0.00 C ATOM 328 O GLY A 23 -0.843 -7.318 -9.669 1.00 0.00 O ATOM 0 H GLY A 23 2.737 -6.855 -8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.375 -5.660 -10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.482 -7.355 -10.526 1.00 0.00 H new ATOM 332 N PHE A 24 -0.600 -5.172 -9.067 1.00 0.00 N ATOM 333 CA PHE A 24 -1.995 -4.946 -8.708 1.00 0.00 C ATOM 334 C PHE A 24 -2.450 -3.583 -9.230 1.00 0.00 C ATOM 335 O PHE A 24 -1.642 -2.732 -9.622 1.00 0.00 O ATOM 336 CB PHE A 24 -2.208 -5.090 -7.189 1.00 0.00 C ATOM 337 CG PHE A 24 -1.559 -4.027 -6.315 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.203 -2.791 -6.117 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.347 -4.285 -5.645 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.644 -1.807 -5.289 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.201 -3.312 -4.788 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.447 -2.077 -4.612 1.00 0.00 C ATOM 0 H PHE A 24 0.002 -4.371 -8.879 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.613 -5.709 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.280 -5.088 -6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.829 -6.065 -6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.144 -2.597 -6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.161 -5.227 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.131 -0.850 -5.174 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.123 -3.515 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.021 -1.334 -3.953 1.00 0.00 H new ATOM 352 N ARG A 25 -3.758 -3.365 -9.198 1.00 0.00 N ATOM 353 CA ARG A 25 -4.445 -2.114 -9.484 1.00 0.00 C ATOM 354 C ARG A 25 -5.186 -1.713 -8.207 1.00 0.00 C ATOM 355 O ARG A 25 -5.378 -2.539 -7.319 1.00 0.00 O ATOM 356 CB ARG A 25 -5.413 -2.363 -10.650 1.00 0.00 C ATOM 357 CG ARG A 25 -4.745 -2.664 -12.005 1.00 0.00 C ATOM 358 CD ARG A 25 -4.582 -1.415 -12.863 1.00 0.00 C ATOM 359 NE ARG A 25 -3.354 -0.667 -12.564 1.00 0.00 N ATOM 360 CZ ARG A 25 -3.182 0.633 -12.816 1.00 0.00 C ATOM 361 NH1 ARG A 25 -4.202 1.409 -13.172 1.00 0.00 N ATOM 362 NH2 ARG A 25 -1.965 1.136 -12.716 1.00 0.00 N ATOM 0 H ARG A 25 -4.411 -4.110 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.766 -1.311 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.062 -3.199 -10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.051 -1.487 -10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.767 -3.113 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.342 -3.398 -12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.579 -1.702 -13.915 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.443 -0.763 -12.713 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.580 -1.175 -12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.138 1.013 -13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.048 2.400 -13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.185 0.535 -12.452 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.805 2.126 -12.903 1.00 0.00 H new ATOM 376 N ILE A 26 -5.620 -0.468 -8.097 1.00 0.00 N ATOM 377 CA ILE A 26 -6.258 0.131 -6.925 1.00 0.00 C ATOM 378 C ILE A 26 -7.355 1.048 -7.456 1.00 0.00 C ATOM 379 O ILE A 26 -7.085 1.818 -8.383 1.00 0.00 O ATOM 380 CB ILE A 26 -5.230 0.890 -6.034 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.870 1.213 -6.709 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.004 0.055 -4.768 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.929 2.117 -5.899 1.00 0.00 C ATOM 0 H ILE A 26 -5.533 0.195 -8.867 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.682 -0.634 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.662 1.868 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.355 0.275 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.065 1.689 -7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.287 0.561 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.949 -0.065 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.615 -0.925 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.009 2.280 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.415 3.075 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.694 1.639 -4.948 1.00 0.00 H new ATOM 395 N LEU A 27 -8.587 0.912 -6.952 1.00 0.00 N ATOM 396 CA LEU A 27 -9.736 1.687 -7.420 1.00 0.00 C ATOM 397 C LEU A 27 -10.580 2.148 -6.231 1.00 0.00 C ATOM 398 O LEU A 27 -10.500 1.598 -5.128 1.00 0.00 O ATOM 399 CB LEU A 27 -10.597 0.866 -8.399 1.00 0.00 C ATOM 400 CG LEU A 27 -9.899 0.440 -9.704 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.762 -0.532 -10.514 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.555 1.632 -10.592 1.00 0.00 C ATOM 0 H LEU A 27 -8.813 0.257 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.362 2.562 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.945 -0.030 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.481 1.450 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.977 -0.053 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.237 -0.810 -11.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.957 -1.426 -9.921 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.707 -0.053 -10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.065 1.280 -11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.469 2.164 -10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.886 2.304 -10.055 1.00 0.00 H new ATOM 414 N GLY A 28 -11.427 3.155 -6.451 1.00 0.00 N ATOM 415 CA GLY A 28 -12.161 3.816 -5.384 1.00 0.00 C ATOM 416 C GLY A 28 -11.211 4.505 -4.404 1.00 0.00 C ATOM 417 O GLY A 28 -10.096 4.888 -4.769 1.00 0.00 O ATOM 0 H GLY A 28 -11.620 3.532 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.844 4.551 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.770 3.086 -4.851 1.00 0.00 H new ATOM 421 N GLY A 29 -11.695 4.791 -3.194 1.00 0.00 N ATOM 422 CA GLY A 29 -11.195 5.941 -2.446 1.00 0.00 C ATOM 423 C GLY A 29 -11.390 7.220 -3.254 1.00 0.00 C ATOM 424 O GLY A 29 -10.566 8.131 -3.184 1.00 0.00 O ATOM 0 H GLY A 29 -12.419 4.252 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.719 6.020 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.138 5.804 -2.218 1.00 0.00 H new ATOM 428 N ASP A 30 -12.413 7.234 -4.110 1.00 0.00 N ATOM 429 CA ASP A 30 -12.524 8.193 -5.198 1.00 0.00 C ATOM 430 C ASP A 30 -12.911 9.565 -4.657 1.00 0.00 C ATOM 431 O ASP A 30 -12.493 10.596 -5.182 1.00 0.00 O ATOM 432 CB ASP A 30 -13.568 7.674 -6.186 1.00 0.00 C ATOM 433 CG ASP A 30 -13.304 8.182 -7.591 1.00 0.00 C ATOM 434 OD1 ASP A 30 -12.193 7.943 -8.114 1.00 0.00 O ATOM 435 OD2 ASP A 30 -14.250 8.700 -8.220 1.00 0.00 O ATOM 0 H ASP A 30 -13.190 6.574 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.566 8.303 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.562 6.584 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.562 7.987 -5.865 1.00 0.00 H new ATOM 440 N GLU A 31 -13.665 9.543 -3.559 1.00 0.00 N ATOM 441 CA GLU A 31 -13.898 10.640 -2.641 1.00 0.00 C ATOM 442 C GLU A 31 -13.059 10.389 -1.382 1.00 0.00 C ATOM 443 O GLU A 31 -12.680 9.239 -1.124 1.00 0.00 O ATOM 444 CB GLU A 31 -15.376 10.631 -2.246 1.00 0.00 C ATOM 445 CG GLU A 31 -16.305 11.076 -3.376 1.00 0.00 C ATOM 446 CD GLU A 31 -16.099 12.550 -3.714 1.00 0.00 C ATOM 447 OE1 GLU A 31 -15.897 13.357 -2.774 1.00 0.00 O ATOM 448 OE2 GLU A 31 -16.140 12.905 -4.913 1.00 0.00 O ATOM 0 H GLU A 31 -14.160 8.698 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.632 11.593 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.655 9.626 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.520 11.286 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.121 10.468 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.342 10.909 -3.085 1.00 0.00 H new ATOM 455 N PRO A 32 -12.805 11.414 -0.555 1.00 0.00 N ATOM 456 CA PRO A 32 -12.073 11.285 0.690 1.00 0.00 C ATOM 457 C PRO A 32 -12.974 10.619 1.723 1.00 0.00 C ATOM 458 O PRO A 32 -13.861 11.261 2.282 1.00 0.00 O ATOM 459 CB PRO A 32 -11.635 12.708 1.049 1.00 0.00 C ATOM 460 CG PRO A 32 -12.648 13.630 0.363 1.00 0.00 C ATOM 461 CD PRO A 32 -13.335 12.761 -0.694 1.00 0.00 C ATOM 0 HA PRO A 32 -11.189 10.651 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.635 12.859 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.622 12.908 0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.370 14.023 1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.153 14.487 -0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.416 12.766 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.143 13.149 -1.695 1.00 0.00 H new ATOM 469 N GLY A 33 -12.773 9.318 1.930 1.00 0.00 N ATOM 470 CA GLY A 33 -13.513 8.495 2.870 1.00 0.00 C ATOM 471 C GLY A 33 -14.183 7.272 2.240 1.00 0.00 C ATOM 472 O GLY A 33 -14.937 6.586 2.930 1.00 0.00 O ATOM 0 H GLY A 33 -12.060 8.793 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.835 8.160 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.277 9.107 3.349 1.00 0.00 H new ATOM 476 N GLN A 34 -13.942 6.981 0.958 1.00 0.00 N ATOM 477 CA GLN A 34 -14.417 5.756 0.319 1.00 0.00 C ATOM 478 C GLN A 34 -13.467 4.582 0.611 1.00 0.00 C ATOM 479 O GLN A 34 -12.275 4.799 0.828 1.00 0.00 O ATOM 480 CB GLN A 34 -14.519 5.973 -1.200 1.00 0.00 C ATOM 481 CG GLN A 34 -15.937 6.358 -1.623 1.00 0.00 C ATOM 482 CD GLN A 34 -16.047 6.565 -3.136 1.00 0.00 C ATOM 483 OE1 GLN A 34 -15.368 5.909 -3.930 1.00 0.00 O ATOM 484 NE2 GLN A 34 -16.946 7.428 -3.564 1.00 0.00 N ATOM 0 H GLN A 34 -13.411 7.591 0.336 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.400 5.513 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.824 6.756 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.219 5.062 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.632 5.578 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.233 7.273 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.499 7.963 -2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.089 7.561 -4.565 1.00 0.00 H new ATOM 493 N PRO A 35 -13.944 3.332 0.522 1.00 0.00 N ATOM 494 CA PRO A 35 -13.083 2.163 0.570 1.00 0.00 C ATOM 495 C PRO A 35 -12.235 2.070 -0.698 1.00 0.00 C ATOM 496 O PRO A 35 -12.722 2.277 -1.815 1.00 0.00 O ATOM 497 CB PRO A 35 -14.018 0.971 0.721 1.00 0.00 C ATOM 498 CG PRO A 35 -15.346 1.441 0.129 1.00 0.00 C ATOM 499 CD PRO A 35 -15.326 2.962 0.269 1.00 0.00 C ATOM 0 HA PRO A 35 -12.376 2.205 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.635 0.098 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.130 0.686 1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.440 1.142 -0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.192 1.007 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.696 3.440 -0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.971 3.285 1.086 1.00 0.00 H new ATOM 507 N ILE A 36 -10.968 1.709 -0.519 1.00 0.00 N ATOM 508 CA ILE A 36 -10.004 1.502 -1.593 1.00 0.00 C ATOM 509 C ILE A 36 -9.890 -0.001 -1.758 1.00 0.00 C ATOM 510 O ILE A 36 -9.174 -0.651 -1.004 1.00 0.00 O ATOM 511 CB ILE A 36 -8.666 2.220 -1.273 1.00 0.00 C ATOM 512 CG1 ILE A 36 -8.930 3.735 -1.337 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.543 1.845 -2.258 1.00 0.00 C ATOM 514 CD1 ILE A 36 -7.764 4.640 -0.945 1.00 0.00 C ATOM 0 H ILE A 36 -10.572 1.548 0.407 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.318 1.941 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.327 1.910 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.233 3.987 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.774 3.963 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.630 2.375 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.365 0.771 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.838 2.123 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.069 5.683 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.470 4.430 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.920 4.454 -1.609 1.00 0.00 H new ATOM 526 N LEU A 37 -10.641 -0.571 -2.690 1.00 0.00 N ATOM 527 CA LEU A 37 -10.596 -1.988 -3.003 1.00 0.00 C ATOM 528 C LEU A 37 -9.519 -2.227 -4.055 1.00 0.00 C ATOM 529 O LEU A 37 -9.298 -1.371 -4.919 1.00 0.00 O ATOM 530 CB LEU A 37 -11.968 -2.492 -3.474 1.00 0.00 C ATOM 531 CG LEU A 37 -13.152 -2.153 -2.539 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.372 -2.997 -2.913 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.834 -2.356 -1.057 1.00 0.00 C ATOM 0 H LEU A 37 -11.309 -0.051 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.345 -2.552 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.172 -2.072 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.918 -3.574 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.359 -1.092 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.201 -2.752 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.658 -2.787 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.127 -4.054 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.708 -2.100 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.567 -3.398 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.999 -1.715 -0.773 1.00 0.00 H new ATOM 545 N ILE A 38 -8.843 -3.381 -3.975 1.00 0.00 N ATOM 546 CA ILE A 38 -7.780 -3.728 -4.902 1.00 0.00 C ATOM 547 C ILE A 38 -8.495 -3.770 -6.260 1.00 0.00 C ATOM 548 O ILE A 38 -9.460 -4.520 -6.439 1.00 0.00 O ATOM 549 CB ILE A 38 -7.101 -5.061 -4.521 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.232 -4.906 -3.251 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.246 -5.637 -5.669 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.902 -4.147 -3.413 1.00 0.00 C ATOM 0 H ILE A 38 -9.023 -4.091 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.954 -3.017 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.908 -5.765 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.825 -4.395 -2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.011 -5.902 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.791 -6.574 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.879 -5.819 -6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.464 -4.925 -5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.387 -4.106 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.275 -4.663 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.102 -3.133 -3.761 1.00 0.00 H new ATOM 564 N GLY A 39 -8.100 -2.891 -7.173 1.00 0.00 N ATOM 565 CA GLY A 39 -8.794 -2.603 -8.416 1.00 0.00 C ATOM 566 C GLY A 39 -9.003 -3.862 -9.241 1.00 0.00 C ATOM 567 O GLY A 39 -10.113 -4.162 -9.670 1.00 0.00 O ATOM 0 H GLY A 39 -7.251 -2.337 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.759 -2.145 -8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.221 -1.878 -8.995 1.00 0.00 H new ATOM 571 N ALA A 40 -7.902 -4.569 -9.461 1.00 0.00 N ATOM 572 CA ALA A 40 -7.730 -5.778 -10.240 1.00 0.00 C ATOM 573 C ALA A 40 -6.395 -6.371 -9.770 1.00 0.00 C ATOM 574 O ALA A 40 -5.527 -5.622 -9.297 1.00 0.00 O ATOM 575 CB ALA A 40 -7.679 -5.428 -11.730 1.00 0.00 C ATOM 0 H ALA A 40 -7.016 -4.273 -9.052 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.549 -6.485 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.550 -6.339 -12.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.609 -4.940 -12.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.842 -4.755 -11.917 1.00 0.00 H new ATOM 581 N VAL A 41 -6.187 -7.673 -9.936 1.00 0.00 N ATOM 582 CA VAL A 41 -4.874 -8.288 -9.741 1.00 0.00 C ATOM 583 C VAL A 41 -4.345 -8.652 -11.126 1.00 0.00 C ATOM 584 O VAL A 41 -5.070 -9.237 -11.935 1.00 0.00 O ATOM 585 CB VAL A 41 -4.993 -9.462 -8.745 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.809 -10.433 -8.801 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.099 -8.889 -7.319 1.00 0.00 C ATOM 0 H VAL A 41 -6.918 -8.331 -10.208 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.146 -7.618 -9.283 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.881 -10.029 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.959 -11.232 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.736 -10.860 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.889 -9.898 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.184 -9.707 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.208 -8.302 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.980 -8.252 -7.248 1.00 0.00 H new ATOM 597 N ILE A 42 -3.102 -8.272 -11.433 1.00 0.00 N ATOM 598 CA ILE A 42 -2.459 -8.663 -12.678 1.00 0.00 C ATOM 599 C ILE A 42 -2.264 -10.177 -12.597 1.00 0.00 C ATOM 600 O ILE A 42 -1.535 -10.639 -11.717 1.00 0.00 O ATOM 601 CB ILE A 42 -1.125 -7.918 -12.869 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.255 -6.383 -12.784 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.490 -8.331 -14.203 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.267 -5.729 -13.717 1.00 0.00 C ATOM 0 H ILE A 42 -2.522 -7.690 -10.828 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.068 -8.401 -13.543 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.480 -8.209 -12.040 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.517 -6.120 -11.759 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.276 -5.947 -12.984 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.454 -7.802 -14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.307 -9.406 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.165 -8.079 -15.021 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.262 -4.650 -13.560 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.002 -5.946 -14.752 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.262 -6.122 -13.508 1.00 0.00 H new ATOM 616 N ALA A 43 -2.905 -10.925 -13.499 1.00 0.00 N ATOM 617 CA ALA A 43 -3.058 -12.372 -13.384 1.00 0.00 C ATOM 618 C ALA A 43 -1.746 -13.132 -13.245 1.00 0.00 C ATOM 619 O ALA A 43 -1.699 -14.176 -12.615 1.00 0.00 O ATOM 620 CB ALA A 43 -3.794 -12.905 -14.610 1.00 0.00 C ATOM 0 H ALA A 43 -3.336 -10.536 -14.338 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.621 -12.538 -12.465 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.908 -13.986 -14.524 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.778 -12.440 -14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.222 -12.671 -15.508 1.00 0.00 H new ATOM 626 N MET A 44 -0.672 -12.621 -13.838 1.00 0.00 N ATOM 627 CA MET A 44 0.647 -13.232 -13.775 1.00 0.00 C ATOM 628 C MET A 44 1.650 -12.184 -13.310 1.00 0.00 C ATOM 629 O MET A 44 2.779 -12.141 -13.799 1.00 0.00 O ATOM 630 CB MET A 44 0.980 -13.859 -15.138 1.00 0.00 C ATOM 631 CG MET A 44 0.101 -15.073 -15.439 1.00 0.00 C ATOM 632 SD MET A 44 0.654 -16.566 -14.579 1.00 0.00 S ATOM 633 CE MET A 44 -0.971 -17.218 -14.147 1.00 0.00 C ATOM 0 H MET A 44 -0.696 -11.759 -14.383 1.00 0.00 H new ATOM 0 HA MET A 44 0.683 -14.045 -13.049 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.849 -13.113 -15.922 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.028 -14.157 -15.154 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.927 -14.852 -15.151 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.099 -15.257 -16.513 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.869 -18.245 -13.795 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.411 -16.606 -13.359 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.616 -17.198 -15.025 1.00 0.00 H new ATOM 643 N GLY A 45 1.226 -11.262 -12.444 1.00 0.00 N ATOM 644 CA GLY A 45 2.078 -10.260 -11.825 1.00 0.00 C ATOM 645 C GLY A 45 2.334 -10.637 -10.375 1.00 0.00 C ATOM 646 O GLY A 45 1.702 -11.539 -9.832 1.00 0.00 O ATOM 0 H GLY A 45 0.252 -11.195 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.022 -10.187 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.603 -9.280 -11.879 1.00 0.00 H new ATOM 650 N SER A 46 3.251 -9.931 -9.714 1.00 0.00 N ATOM 651 CA SER A 46 3.706 -10.296 -8.376 1.00 0.00 C ATOM 652 C SER A 46 2.619 -10.279 -7.291 1.00 0.00 C ATOM 653 O SER A 46 2.879 -10.791 -6.209 1.00 0.00 O ATOM 654 CB SER A 46 4.879 -9.394 -7.993 1.00 0.00 C ATOM 655 OG SER A 46 5.957 -9.648 -8.876 1.00 0.00 O ATOM 0 H SER A 46 3.697 -9.094 -10.090 1.00 0.00 H new ATOM 0 HA SER A 46 4.015 -11.340 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.584 -8.346 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.181 -9.585 -6.963 1.00 0.00 H new ATOM 0 HG SER A 46 6.715 -9.073 -8.641 1.00 0.00 H new ATOM 661 N ALA A 47 1.433 -9.705 -7.535 1.00 0.00 N ATOM 662 CA ALA A 47 0.321 -9.819 -6.597 1.00 0.00 C ATOM 663 C ALA A 47 -0.288 -11.217 -6.689 1.00 0.00 C ATOM 664 O ALA A 47 -0.402 -11.880 -5.663 1.00 0.00 O ATOM 665 CB ALA A 47 -0.727 -8.748 -6.882 1.00 0.00 C ATOM 0 H ALA A 47 1.225 -9.160 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 47 0.690 -9.665 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.550 -8.847 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.276 -7.761 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.105 -8.870 -7.897 1.00 0.00 H new ATOM 671 N ASP A 48 -0.625 -11.674 -7.903 1.00 0.00 N ATOM 672 CA ASP A 48 -1.083 -13.047 -8.121 1.00 0.00 C ATOM 673 C ASP A 48 -0.011 -14.009 -7.639 1.00 0.00 C ATOM 674 O ASP A 48 -0.319 -14.936 -6.901 1.00 0.00 O ATOM 675 CB ASP A 48 -1.393 -13.332 -9.594 1.00 0.00 C ATOM 676 CG ASP A 48 -1.922 -14.763 -9.767 1.00 0.00 C ATOM 677 OD1 ASP A 48 -1.121 -15.728 -9.748 1.00 0.00 O ATOM 678 OD2 ASP A 48 -3.159 -14.919 -9.891 1.00 0.00 O ATOM 0 H ASP A 48 -0.588 -11.108 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.008 -13.181 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.131 -12.619 -9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.493 -13.196 -10.194 1.00 0.00 H new ATOM 683 N ARG A 49 1.258 -13.771 -7.988 1.00 0.00 N ATOM 684 CA ARG A 49 2.366 -14.603 -7.553 1.00 0.00 C ATOM 685 C ARG A 49 2.414 -14.743 -6.035 1.00 0.00 C ATOM 686 O ARG A 49 2.580 -15.856 -5.543 1.00 0.00 O ATOM 687 CB ARG A 49 3.682 -14.036 -8.098 1.00 0.00 C ATOM 688 CG ARG A 49 4.573 -15.185 -8.553 1.00 0.00 C ATOM 689 CD ARG A 49 5.996 -14.681 -8.805 1.00 0.00 C ATOM 690 NE ARG A 49 6.796 -15.701 -9.494 1.00 0.00 N ATOM 691 CZ ARG A 49 7.189 -15.679 -10.774 1.00 0.00 C ATOM 692 NH1 ARG A 49 6.965 -14.613 -11.543 1.00 0.00 N ATOM 693 NH2 ARG A 49 7.819 -16.729 -11.279 1.00 0.00 N ATOM 0 H ARG A 49 1.538 -12.991 -8.583 1.00 0.00 H new ATOM 0 HA ARG A 49 2.216 -15.606 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.484 -13.362 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.186 -13.452 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.585 -15.968 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.170 -15.629 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.964 -13.771 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.468 -14.421 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 49 7.082 -16.509 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.488 -13.798 -11.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.271 -14.613 -12.516 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.001 -17.545 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.122 -16.722 -12.253 1.00 0.00 H new ATOM 707 N ASP A 50 2.281 -13.633 -5.302 1.00 0.00 N ATOM 708 CA ASP A 50 2.227 -13.665 -3.843 1.00 0.00 C ATOM 709 C ASP A 50 0.972 -14.393 -3.351 1.00 0.00 C ATOM 710 O ASP A 50 0.994 -15.039 -2.301 1.00 0.00 O ATOM 711 CB ASP A 50 2.280 -12.244 -3.267 1.00 0.00 C ATOM 712 CG ASP A 50 2.523 -12.313 -1.766 1.00 0.00 C ATOM 713 OD1 ASP A 50 3.678 -12.607 -1.376 1.00 0.00 O ATOM 714 OD2 ASP A 50 1.589 -12.143 -0.963 1.00 0.00 O ATOM 0 H ASP A 50 2.209 -12.697 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 50 3.099 -14.216 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.075 -11.674 -3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.345 -11.722 -3.471 1.00 0.00 H new ATOM 719 N GLY A 51 -0.111 -14.325 -4.123 1.00 0.00 N ATOM 720 CA GLY A 51 -1.340 -15.094 -3.993 1.00 0.00 C ATOM 721 C GLY A 51 -2.329 -14.449 -3.038 1.00 0.00 C ATOM 722 O GLY A 51 -3.532 -14.463 -3.307 1.00 0.00 O ATOM 0 H GLY A 51 -0.152 -13.682 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.803 -15.201 -4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.102 -16.098 -3.641 1.00 0.00 H new ATOM 726 N ARG A 52 -1.816 -13.864 -1.955 1.00 0.00 N ATOM 727 CA ARG A 52 -2.605 -13.299 -0.870 1.00 0.00 C ATOM 728 C ARG A 52 -3.443 -12.098 -1.282 1.00 0.00 C ATOM 729 O ARG A 52 -4.381 -11.774 -0.561 1.00 0.00 O ATOM 730 CB ARG A 52 -1.680 -12.894 0.276 1.00 0.00 C ATOM 731 CG ARG A 52 -1.123 -14.099 1.041 1.00 0.00 C ATOM 732 CD ARG A 52 -0.160 -13.642 2.139 1.00 0.00 C ATOM 733 NE ARG A 52 1.105 -13.150 1.574 1.00 0.00 N ATOM 734 CZ ARG A 52 2.314 -13.366 2.089 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.468 -13.805 3.332 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.392 -13.149 1.357 1.00 0.00 N ATOM 0 H ARG A 52 -0.811 -13.770 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.302 -14.077 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.852 -12.307 -0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.225 -12.250 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.942 -14.667 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.606 -14.767 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.627 -12.854 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.041 -14.472 2.817 1.00 0.00 H new ATOM 0 HE ARG A 52 1.052 -12.598 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.650 -13.984 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.404 -13.963 3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.298 -12.816 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.318 -13.314 1.751 1.00 0.00 H new ATOM 750 N LEU A 53 -3.100 -11.400 -2.363 1.00 0.00 N ATOM 751 CA LEU A 53 -3.943 -10.329 -2.869 1.00 0.00 C ATOM 752 C LEU A 53 -4.950 -10.941 -3.813 1.00 0.00 C ATOM 753 O LEU A 53 -4.567 -11.639 -4.754 1.00 0.00 O ATOM 754 CB LEU A 53 -3.125 -9.311 -3.662 1.00 0.00 C ATOM 755 CG LEU A 53 -2.447 -8.255 -2.781 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.381 -7.534 -3.610 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.473 -7.232 -2.292 1.00 0.00 C ATOM 0 H LEU A 53 -2.248 -11.559 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.417 -9.826 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.363 -9.837 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.777 -8.811 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.995 -8.744 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.891 -6.779 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.642 -8.255 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.851 -7.053 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.977 -6.489 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.932 -6.738 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.243 -7.739 -1.710 1.00 0.00 H new ATOM 769 N HIS A 54 -6.204 -10.559 -3.638 1.00 0.00 N ATOM 770 CA HIS A 54 -7.249 -10.688 -4.638 1.00 0.00 C ATOM 771 C HIS A 54 -7.901 -9.327 -4.865 1.00 0.00 C ATOM 772 O HIS A 54 -7.770 -8.408 -4.053 1.00 0.00 O ATOM 773 CB HIS A 54 -8.233 -11.812 -4.261 1.00 0.00 C ATOM 774 CG HIS A 54 -7.883 -13.170 -4.841 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.576 -14.340 -4.616 1.00 0.00 N ATOM 776 CD2 HIS A 54 -6.889 -13.463 -5.743 1.00 0.00 C ATOM 777 CE1 HIS A 54 -8.011 -15.301 -5.362 1.00 0.00 C ATOM 778 NE2 HIS A 54 -6.976 -14.817 -6.074 1.00 0.00 N ATOM 0 H HIS A 54 -6.532 -10.138 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.827 -10.994 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.274 -11.894 -3.175 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.231 -11.533 -4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.163 -12.764 -6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.343 -16.328 -5.388 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.379 -15.332 -6.721 1.00 0.00 H new ATOM 786 N PRO A 55 -8.529 -9.136 -6.034 1.00 0.00 N ATOM 787 CA PRO A 55 -9.264 -7.919 -6.306 1.00 0.00 C ATOM 788 C PRO A 55 -10.497 -7.863 -5.418 1.00 0.00 C ATOM 789 O PRO A 55 -11.089 -8.895 -5.090 1.00 0.00 O ATOM 790 CB PRO A 55 -9.575 -7.949 -7.796 1.00 0.00 C ATOM 791 CG PRO A 55 -9.509 -9.426 -8.178 1.00 0.00 C ATOM 792 CD PRO A 55 -8.576 -10.057 -7.160 1.00 0.00 C ATOM 0 HA PRO A 55 -8.705 -7.011 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.560 -7.530 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.853 -7.361 -8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.497 -9.886 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.131 -9.554 -9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.942 -11.035 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.583 -10.208 -7.582 1.00 0.00 H new ATOM 800 N GLY A 56 -10.899 -6.652 -5.049 1.00 0.00 N ATOM 801 CA GLY A 56 -11.987 -6.427 -4.113 1.00 0.00 C ATOM 802 C GLY A 56 -11.521 -6.445 -2.656 1.00 0.00 C ATOM 803 O GLY A 56 -12.327 -6.139 -1.777 1.00 0.00 O ATOM 0 H GLY A 56 -10.473 -5.793 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.455 -5.467 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.749 -7.193 -4.257 1.00 0.00 H new ATOM 807 N ASP A 57 -10.264 -6.795 -2.372 1.00 0.00 N ATOM 808 CA ASP A 57 -9.707 -6.760 -1.020 1.00 0.00 C ATOM 809 C ASP A 57 -9.546 -5.288 -0.647 1.00 0.00 C ATOM 810 O ASP A 57 -9.008 -4.508 -1.436 1.00 0.00 O ATOM 811 CB ASP A 57 -8.350 -7.486 -0.934 1.00 0.00 C ATOM 812 CG ASP A 57 -8.405 -9.007 -1.135 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.462 -9.529 -1.551 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.416 -9.679 -0.765 1.00 0.00 O ATOM 0 H ASP A 57 -9.601 -7.112 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.375 -7.278 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.681 -7.061 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.908 -7.281 0.041 1.00 0.00 H new ATOM 819 N GLU A 58 -10.046 -4.853 0.508 1.00 0.00 N ATOM 820 CA GLU A 58 -10.006 -3.444 0.873 1.00 0.00 C ATOM 821 C GLU A 58 -8.637 -3.119 1.461 1.00 0.00 C ATOM 822 O GLU A 58 -8.227 -3.761 2.414 1.00 0.00 O ATOM 823 CB GLU A 58 -11.103 -3.147 1.889 1.00 0.00 C ATOM 824 CG GLU A 58 -11.290 -1.626 2.019 1.00 0.00 C ATOM 825 CD GLU A 58 -12.429 -1.236 2.956 1.00 0.00 C ATOM 826 OE1 GLU A 58 -13.559 -1.753 2.796 1.00 0.00 O ATOM 827 OE2 GLU A 58 -12.190 -0.370 3.827 1.00 0.00 O ATOM 0 H GLU A 58 -10.482 -5.457 1.204 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.172 -2.827 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.038 -3.613 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.842 -3.575 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.363 -1.183 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.480 -1.205 1.032 1.00 0.00 H new ATOM 834 N LEU A 59 -7.925 -2.133 0.929 1.00 0.00 N ATOM 835 CA LEU A 59 -6.655 -1.654 1.461 1.00 0.00 C ATOM 836 C LEU A 59 -6.906 -0.775 2.685 1.00 0.00 C ATOM 837 O LEU A 59 -7.874 -0.003 2.735 1.00 0.00 O ATOM 838 CB LEU A 59 -5.828 -0.898 0.394 1.00 0.00 C ATOM 839 CG LEU A 59 -4.815 -1.789 -0.367 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.055 -0.979 -1.414 1.00 0.00 C ATOM 841 CD2 LEU A 59 -3.721 -2.361 0.552 1.00 0.00 C ATOM 0 H LEU A 59 -8.223 -1.631 0.093 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.065 -2.520 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.510 -0.445 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.288 -0.084 0.877 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.417 -2.586 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.350 -1.627 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.760 -0.559 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.511 -0.171 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.039 -2.977 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.167 -1.542 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.181 -2.969 1.331 1.00 0.00 H new ATOM 853 N VAL A 60 -5.980 -0.862 3.635 1.00 0.00 N ATOM 854 CA VAL A 60 -5.942 -0.130 4.895 1.00 0.00 C ATOM 855 C VAL A 60 -4.659 0.689 4.932 1.00 0.00 C ATOM 856 O VAL A 60 -4.725 1.907 5.096 1.00 0.00 O ATOM 857 CB VAL A 60 -5.999 -1.085 6.109 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.334 -0.306 7.388 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.012 -2.213 5.931 1.00 0.00 C ATOM 0 H VAL A 60 -5.182 -1.489 3.537 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.814 0.521 4.956 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.010 -1.537 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.370 -0.993 8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.567 0.448 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.303 0.181 7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.006 -2.850 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.007 -1.790 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.747 -2.805 5.055 1.00 0.00 H new ATOM 869 N TYR A 61 -3.512 0.033 4.735 1.00 0.00 N ATOM 870 CA TYR A 61 -2.186 0.619 4.834 1.00 0.00 C ATOM 871 C TYR A 61 -1.405 0.291 3.571 1.00 0.00 C ATOM 872 O TYR A 61 -1.557 -0.804 3.020 1.00 0.00 O ATOM 873 CB TYR A 61 -1.439 0.050 6.045 1.00 0.00 C ATOM 874 CG TYR A 61 -2.030 0.357 7.407 1.00 0.00 C ATOM 875 CD1 TYR A 61 -1.725 1.582 8.020 1.00 0.00 C ATOM 876 CD2 TYR A 61 -2.831 -0.581 8.086 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.190 1.871 9.316 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.295 -0.309 9.384 1.00 0.00 C ATOM 879 CZ TYR A 61 -2.957 0.908 10.014 1.00 0.00 C ATOM 880 OH TYR A 61 -3.411 1.172 11.271 1.00 0.00 O ATOM 0 H TYR A 61 -3.488 -0.958 4.493 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.282 1.698 4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.382 -1.033 5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.416 0.427 6.024 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.127 2.310 7.492 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.090 -1.514 7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.963 2.822 9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.910 -1.031 9.900 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.921 0.404 11.603 1.00 0.00 H new ATOM 890 N VAL A 62 -0.550 1.222 3.156 1.00 0.00 N ATOM 891 CA VAL A 62 0.345 1.097 2.012 1.00 0.00 C ATOM 892 C VAL A 62 1.667 1.729 2.426 1.00 0.00 C ATOM 893 O VAL A 62 1.696 2.890 2.838 1.00 0.00 O ATOM 894 CB VAL A 62 -0.257 1.768 0.762 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.732 1.749 -0.414 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.540 1.053 0.318 1.00 0.00 C ATOM 0 H VAL A 62 -0.459 2.121 3.628 1.00 0.00 H new ATOM 0 HA VAL A 62 0.497 0.053 1.738 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.480 2.799 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.277 2.230 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.639 2.286 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.983 0.718 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.944 1.546 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.314 0.013 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.275 1.091 1.122 1.00 0.00 H new ATOM 906 N ASP A 63 2.741 0.939 2.379 1.00 0.00 N ATOM 907 CA ASP A 63 4.062 1.238 2.946 1.00 0.00 C ATOM 908 C ASP A 63 3.977 1.614 4.442 1.00 0.00 C ATOM 909 O ASP A 63 4.922 2.124 5.043 1.00 0.00 O ATOM 910 CB ASP A 63 4.827 2.242 2.055 1.00 0.00 C ATOM 911 CG ASP A 63 6.357 2.146 2.179 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.866 1.158 2.761 1.00 0.00 O ATOM 913 OD2 ASP A 63 7.066 2.981 1.567 1.00 0.00 O ATOM 0 H ASP A 63 2.714 0.027 1.922 1.00 0.00 H new ATOM 0 HA ASP A 63 4.666 0.331 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.546 2.077 1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.514 3.254 2.313 1.00 0.00 H new ATOM 918 N GLY A 64 2.839 1.297 5.073 1.00 0.00 N ATOM 919 CA GLY A 64 2.487 1.577 6.456 1.00 0.00 C ATOM 920 C GLY A 64 1.675 2.852 6.648 1.00 0.00 C ATOM 921 O GLY A 64 1.195 3.074 7.755 1.00 0.00 O ATOM 0 H GLY A 64 2.091 0.802 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.919 0.735 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.402 1.650 7.044 1.00 0.00 H new ATOM 925 N ILE A 65 1.474 3.697 5.630 1.00 0.00 N ATOM 926 CA ILE A 65 0.659 4.886 5.777 1.00 0.00 C ATOM 927 C ILE A 65 -0.791 4.441 5.566 1.00 0.00 C ATOM 928 O ILE A 65 -1.100 3.789 4.562 1.00 0.00 O ATOM 929 CB ILE A 65 1.122 5.962 4.773 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.593 6.398 4.988 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.237 7.213 4.908 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.690 5.427 4.529 1.00 0.00 C ATOM 0 H ILE A 65 1.870 3.570 4.698 1.00 0.00 H new ATOM 0 HA ILE A 65 0.752 5.344 6.762 1.00 0.00 H new ATOM 0 HB ILE A 65 1.038 5.514 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.743 7.345 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.736 6.590 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.567 7.971 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.800 6.949 4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.316 7.607 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.669 5.858 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.587 4.483 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.594 5.250 3.458 1.00 0.00 H new ATOM 944 N PRO A 66 -1.689 4.735 6.518 1.00 0.00 N ATOM 945 CA PRO A 66 -3.088 4.388 6.416 1.00 0.00 C ATOM 946 C PRO A 66 -3.723 5.257 5.340 1.00 0.00 C ATOM 947 O PRO A 66 -3.768 6.487 5.450 1.00 0.00 O ATOM 948 CB PRO A 66 -3.711 4.591 7.794 1.00 0.00 C ATOM 949 CG PRO A 66 -2.723 5.504 8.509 1.00 0.00 C ATOM 950 CD PRO A 66 -1.407 5.388 7.775 1.00 0.00 C ATOM 0 HA PRO A 66 -3.245 3.350 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.698 5.047 7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.834 3.645 8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.078 6.535 8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.610 5.209 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.968 6.372 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.688 4.812 8.358 1.00 0.00 H new ATOM 958 N VAL A 67 -4.212 4.611 4.289 1.00 0.00 N ATOM 959 CA VAL A 67 -4.835 5.272 3.153 1.00 0.00 C ATOM 960 C VAL A 67 -6.283 5.683 3.460 1.00 0.00 C ATOM 961 O VAL A 67 -6.911 6.366 2.654 1.00 0.00 O ATOM 962 CB VAL A 67 -4.703 4.377 1.905 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.217 4.084 1.614 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.447 3.034 1.962 1.00 0.00 C ATOM 0 H VAL A 67 -4.185 3.595 4.202 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.313 6.206 2.945 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.176 4.958 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.137 3.451 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.689 5.021 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.773 3.572 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.284 2.488 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.072 2.445 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.514 3.214 2.095 1.00 0.00 H new ATOM 974 N ALA A 68 -6.820 5.290 4.618 1.00 0.00 N ATOM 975 CA ALA A 68 -8.226 5.461 4.940 1.00 0.00 C ATOM 976 C ALA A 68 -8.549 6.941 5.144 1.00 0.00 C ATOM 977 O ALA A 68 -7.977 7.595 6.022 1.00 0.00 O ATOM 978 CB ALA A 68 -8.553 4.649 6.190 1.00 0.00 C ATOM 0 H ALA A 68 -6.281 4.842 5.359 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.839 5.101 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.607 4.772 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.345 3.595 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.941 4.999 7.021 1.00 0.00 H new ATOM 984 N GLY A 69 -9.478 7.480 4.360 1.00 0.00 N ATOM 985 CA GLY A 69 -9.903 8.878 4.406 1.00 0.00 C ATOM 986 C GLY A 69 -9.065 9.784 3.513 1.00 0.00 C ATOM 987 O GLY A 69 -9.416 10.950 3.320 1.00 0.00 O ATOM 0 H GLY A 69 -9.973 6.939 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.948 8.945 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.845 9.236 5.434 1.00 0.00 H new ATOM 991 N LYS A 70 -7.962 9.276 2.963 1.00 0.00 N ATOM 992 CA LYS A 70 -7.203 9.888 1.886 1.00 0.00 C ATOM 993 C LYS A 70 -7.980 9.694 0.588 1.00 0.00 C ATOM 994 O LYS A 70 -9.165 9.373 0.627 1.00 0.00 O ATOM 995 CB LYS A 70 -5.801 9.258 1.851 1.00 0.00 C ATOM 996 CG LYS A 70 -5.157 9.137 3.248 1.00 0.00 C ATOM 997 CD LYS A 70 -5.063 10.512 3.908 1.00 0.00 C ATOM 998 CE LYS A 70 -4.256 10.473 5.201 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.405 11.730 5.961 1.00 0.00 N ATOM 0 H LYS A 70 -7.561 8.391 3.272 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.069 10.960 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.865 8.268 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.155 9.859 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.748 8.466 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.163 8.699 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.602 11.216 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.066 10.882 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.585 9.633 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.204 10.306 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.845 11.675 6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.068 12.527 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.407 11.875 6.200 1.00 0.00 H new ATOM 1013 N THR A 71 -7.354 9.884 -0.561 1.00 0.00 N ATOM 1014 CA THR A 71 -7.994 9.668 -1.852 1.00 0.00 C ATOM 1015 C THR A 71 -7.222 8.614 -2.638 1.00 0.00 C ATOM 1016 O THR A 71 -6.095 8.274 -2.270 1.00 0.00 O ATOM 1017 CB THR A 71 -8.100 11.012 -2.590 1.00 0.00 C ATOM 1018 OG1 THR A 71 -6.864 11.716 -2.557 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.203 11.875 -1.967 1.00 0.00 C ATOM 0 H THR A 71 -6.384 10.193 -0.627 1.00 0.00 H new ATOM 0 HA THR A 71 -9.007 9.285 -1.725 1.00 0.00 H new ATOM 0 HB THR A 71 -8.349 10.802 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.959 12.566 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.267 12.824 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.157 11.353 -2.039 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.970 12.062 -0.919 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.796 8.156 -3.753 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.138 7.383 -4.799 1.00 0.00 C ATOM 1029 C HIS A 72 -5.719 7.918 -5.011 1.00 0.00 C ATOM 1030 O HIS A 72 -4.740 7.219 -4.742 1.00 0.00 O ATOM 1031 CB HIS A 72 -8.004 7.452 -6.074 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.252 7.148 -7.347 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.637 8.074 -8.143 1.00 0.00 N flip ATOM 1034 CD2 HIS A 72 -6.969 5.903 -7.862 1.00 0.00 C flip ATOM 1035 CE1 HIS A 72 -5.957 7.384 -9.143 1.00 0.00 C flip ATOM 1036 NE2 HIS A 72 -6.174 6.076 -8.931 1.00 0.00 N flip ATOM 0 H HIS A 72 -8.781 8.325 -3.957 1.00 0.00 H new ATOM 0 HA HIS A 72 -7.040 6.334 -4.519 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.831 6.749 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.439 8.448 -6.151 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.322 4.958 -7.476 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.368 7.818 -9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.790 5.322 -9.500 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.635 9.190 -5.409 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.437 9.996 -5.628 1.00 0.00 C ATOM 1046 C ARG A 73 -3.393 9.807 -4.531 1.00 0.00 C ATOM 1047 O ARG A 73 -2.216 9.663 -4.845 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.941 11.446 -5.727 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.893 12.552 -5.600 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.250 12.970 -6.914 1.00 0.00 C ATOM 1051 NE ARG A 73 -2.445 14.175 -6.673 1.00 0.00 N ATOM 1052 CZ ARG A 73 -2.171 15.143 -7.546 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -2.524 15.023 -8.816 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -1.544 16.226 -7.114 1.00 0.00 N ATOM 0 H ARG A 73 -6.480 9.727 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.914 9.695 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.446 11.565 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.691 11.598 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.359 13.426 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.111 12.217 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.624 12.167 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.015 13.169 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.054 14.282 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.010 14.184 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.310 15.769 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.282 16.306 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.323 16.981 -7.764 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.799 9.837 -3.264 1.00 0.00 N ATOM 1069 CA TYR A 74 -2.880 9.721 -2.138 1.00 0.00 C ATOM 1070 C TYR A 74 -2.102 8.409 -2.196 1.00 0.00 C ATOM 1071 O TYR A 74 -0.906 8.366 -1.933 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.674 9.843 -0.852 1.00 0.00 C ATOM 1073 CG TYR A 74 -2.826 10.035 0.381 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.420 8.914 1.122 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -2.566 11.331 0.859 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -1.783 9.083 2.360 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -1.932 11.506 2.098 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.547 10.381 2.864 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.015 10.544 4.104 1.00 0.00 O ATOM 0 H TYR A 74 -4.776 9.943 -2.990 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.142 10.522 -2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.362 10.684 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.281 8.946 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.598 7.920 0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.854 12.191 0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.472 8.219 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.737 12.502 2.468 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.378 11.358 4.512 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.770 7.320 -2.555 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.136 6.016 -2.641 1.00 0.00 C ATOM 1091 C VAL A 75 -1.279 5.955 -3.907 1.00 0.00 C ATOM 1092 O VAL A 75 -0.235 5.322 -3.892 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.220 4.930 -2.619 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.562 3.558 -2.479 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.197 5.180 -1.463 1.00 0.00 C ATOM 0 H VAL A 75 -3.762 7.318 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.478 5.846 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.782 4.961 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.331 2.786 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.893 3.387 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.992 3.521 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.961 4.403 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.655 5.162 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.670 6.154 -1.591 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.654 6.632 -4.994 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.803 6.735 -6.179 1.00 0.00 C ATOM 1107 C ILE A 76 0.525 7.417 -5.808 1.00 0.00 C ATOM 1108 O ILE A 76 1.578 6.958 -6.260 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.554 7.440 -7.332 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.936 6.825 -7.639 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.745 7.445 -8.635 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.959 5.310 -7.851 1.00 0.00 C ATOM 0 H ILE A 76 -2.546 7.119 -5.077 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.557 5.739 -6.546 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.695 8.458 -6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.611 7.068 -6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.335 7.304 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.314 7.951 -9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.198 7.969 -8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.543 6.419 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.979 4.987 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.317 5.051 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.597 4.811 -6.952 1.00 0.00 H new ATOM 1124 N ASP A 77 0.488 8.453 -4.961 1.00 0.00 N ATOM 1125 CA ASP A 77 1.678 9.078 -4.376 1.00 0.00 C ATOM 1126 C ASP A 77 2.464 8.056 -3.557 1.00 0.00 C ATOM 1127 O ASP A 77 3.681 7.959 -3.711 1.00 0.00 O ATOM 1128 CB ASP A 77 1.312 10.292 -3.496 1.00 0.00 C ATOM 1129 CG ASP A 77 1.280 11.609 -4.277 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.166 11.866 -5.125 1.00 0.00 O ATOM 1131 OD2 ASP A 77 0.288 12.370 -4.137 1.00 0.00 O ATOM 0 H ASP A 77 -0.384 8.887 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 77 2.298 9.437 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.337 10.122 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.033 10.375 -2.683 1.00 0.00 H new ATOM 1136 N LEU A 78 1.790 7.261 -2.719 1.00 0.00 N ATOM 1137 CA LEU A 78 2.471 6.243 -1.929 1.00 0.00 C ATOM 1138 C LEU A 78 3.151 5.212 -2.811 1.00 0.00 C ATOM 1139 O LEU A 78 4.300 4.888 -2.559 1.00 0.00 O ATOM 1140 CB LEU A 78 1.516 5.456 -1.014 1.00 0.00 C ATOM 1141 CG LEU A 78 1.303 5.921 0.422 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.588 6.463 1.062 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.198 6.933 0.655 1.00 0.00 C ATOM 0 H LEU A 78 0.781 7.306 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 78 3.194 6.799 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.540 5.436 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.874 4.427 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 78 0.982 4.996 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.380 6.780 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.347 5.681 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.951 7.313 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.150 7.181 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.404 7.836 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.755 6.510 0.337 1.00 0.00 H new ATOM 1155 N MET A 79 2.465 4.653 -3.805 1.00 0.00 N ATOM 1156 CA MET A 79 3.047 3.645 -4.679 1.00 0.00 C ATOM 1157 C MET A 79 4.267 4.197 -5.418 1.00 0.00 C ATOM 1158 O MET A 79 5.218 3.451 -5.646 1.00 0.00 O ATOM 1159 CB MET A 79 1.998 3.123 -5.669 1.00 0.00 C ATOM 1160 CG MET A 79 0.832 2.388 -4.996 1.00 0.00 C ATOM 1161 SD MET A 79 1.245 1.072 -3.821 1.00 0.00 S ATOM 1162 CE MET A 79 2.274 0.008 -4.854 1.00 0.00 C ATOM 0 H MET A 79 1.496 4.886 -4.024 1.00 0.00 H new ATOM 0 HA MET A 79 3.381 2.811 -4.062 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.605 3.961 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.482 2.449 -6.376 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.224 3.127 -4.474 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.208 1.957 -5.779 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.594 -0.860 -4.277 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.701 -0.323 -5.720 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.150 0.563 -5.189 1.00 0.00 H new ATOM 1172 N HIS A 80 4.271 5.491 -5.758 1.00 0.00 N ATOM 1173 CA HIS A 80 5.436 6.167 -6.303 1.00 0.00 C ATOM 1174 C HIS A 80 6.581 6.142 -5.286 1.00 0.00 C ATOM 1175 O HIS A 80 7.717 5.845 -5.660 1.00 0.00 O ATOM 1176 CB HIS A 80 5.047 7.600 -6.722 1.00 0.00 C ATOM 1177 CG HIS A 80 4.618 7.697 -8.163 1.00 0.00 C ATOM 1178 ND1 HIS A 80 5.348 7.263 -9.246 1.00 0.00 N ATOM 1179 CD2 HIS A 80 3.420 8.170 -8.625 1.00 0.00 C ATOM 1180 CE1 HIS A 80 4.589 7.431 -10.340 1.00 0.00 C ATOM 1181 NE2 HIS A 80 3.389 7.947 -10.009 1.00 0.00 N ATOM 0 H HIS A 80 3.456 6.096 -5.659 1.00 0.00 H new ATOM 0 HA HIS A 80 5.791 5.648 -7.193 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.237 7.952 -6.083 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.895 8.264 -6.556 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.642 8.630 -8.033 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.897 7.187 -11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.611 8.138 -10.641 1.00 0.00 H new ATOM 1189 N HIS A 81 6.293 6.441 -4.022 1.00 0.00 N ATOM 1190 CA HIS A 81 7.230 6.376 -2.909 1.00 0.00 C ATOM 1191 C HIS A 81 7.781 4.964 -2.728 1.00 0.00 C ATOM 1192 O HIS A 81 8.987 4.746 -2.835 1.00 0.00 O ATOM 1193 CB HIS A 81 6.513 6.851 -1.631 1.00 0.00 C ATOM 1194 CG HIS A 81 7.258 7.968 -0.991 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.395 7.845 -0.239 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.972 9.288 -1.151 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.816 9.087 0.042 1.00 0.00 C ATOM 1198 NE2 HIS A 81 8.001 10.004 -0.523 1.00 0.00 N ATOM 0 H HIS A 81 5.363 6.747 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 81 8.080 7.026 -3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.502 7.176 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.421 6.021 -0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.117 9.704 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.686 9.321 0.637 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.112 11.018 -0.498 1.00 0.00 H new ATOM 1206 N ALA A 82 6.897 3.996 -2.498 1.00 0.00 N ATOM 1207 CA ALA A 82 7.227 2.621 -2.191 1.00 0.00 C ATOM 1208 C ALA A 82 8.067 2.007 -3.311 1.00 0.00 C ATOM 1209 O ALA A 82 9.020 1.272 -3.053 1.00 0.00 O ATOM 1210 CB ALA A 82 5.936 1.839 -1.965 1.00 0.00 C ATOM 0 H ALA A 82 5.891 4.163 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 82 7.826 2.580 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.175 0.801 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.385 2.279 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.325 1.878 -2.867 1.00 0.00 H new ATOM 1216 N ALA A 83 7.790 2.359 -4.574 1.00 0.00 N ATOM 1217 CA ALA A 83 8.591 1.912 -5.701 1.00 0.00 C ATOM 1218 C ALA A 83 10.072 2.273 -5.502 1.00 0.00 C ATOM 1219 O ALA A 83 10.938 1.466 -5.852 1.00 0.00 O ATOM 1220 CB ALA A 83 8.047 2.417 -7.032 1.00 0.00 C ATOM 0 H ALA A 83 7.007 2.959 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 83 8.522 0.825 -5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.679 2.057 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.031 2.049 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.042 3.507 -7.033 1.00 0.00 H new ATOM 1226 N ARG A 84 10.388 3.411 -4.877 1.00 0.00 N ATOM 1227 CA ARG A 84 11.760 3.783 -4.533 1.00 0.00 C ATOM 1228 C ARG A 84 12.320 2.910 -3.411 1.00 0.00 C ATOM 1229 O ARG A 84 13.456 2.460 -3.546 1.00 0.00 O ATOM 1230 CB ARG A 84 11.857 5.270 -4.149 1.00 0.00 C ATOM 1231 CG ARG A 84 11.194 6.193 -5.184 1.00 0.00 C ATOM 1232 CD ARG A 84 11.966 7.508 -5.294 1.00 0.00 C ATOM 1233 NE ARG A 84 11.358 8.450 -6.241 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.322 8.386 -7.576 1.00 0.00 C ATOM 1235 NH1 ARG A 84 11.889 7.378 -8.233 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.714 9.353 -8.251 1.00 0.00 N ATOM 0 H ARG A 84 9.694 4.103 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 84 12.365 3.616 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.386 5.422 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.906 5.546 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.164 5.699 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.162 6.392 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.021 7.974 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.989 7.298 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 84 10.902 9.262 -5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.362 6.636 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.851 7.347 -9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.283 10.131 -7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.678 9.319 -9.270 1.00 0.00 H new ATOM 1250 N ASN A 85 11.528 2.610 -2.372 1.00 0.00 N ATOM 1251 CA ASN A 85 11.884 1.810 -1.190 1.00 0.00 C ATOM 1252 C ASN A 85 12.263 0.367 -1.526 1.00 0.00 C ATOM 1253 O ASN A 85 12.693 -0.395 -0.661 1.00 0.00 O ATOM 1254 CB ASN A 85 10.685 1.769 -0.212 1.00 0.00 C ATOM 1255 CG ASN A 85 10.936 2.475 1.107 1.00 0.00 C ATOM 1256 OD1 ASN A 85 12.069 2.698 1.528 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.882 2.866 1.800 1.00 0.00 N ATOM 0 H ASN A 85 10.563 2.939 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 85 12.755 2.293 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.820 2.223 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.429 0.729 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.007 3.354 2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.943 2.680 1.448 1.00 0.00 H new ATOM 1264 N GLY A 86 12.028 -0.045 -2.765 1.00 0.00 N ATOM 1265 CA GLY A 86 12.395 -1.347 -3.294 1.00 0.00 C ATOM 1266 C GLY A 86 11.434 -2.466 -2.871 1.00 0.00 C ATOM 1267 O GLY A 86 11.641 -3.633 -3.222 1.00 0.00 O ATOM 0 H GLY A 86 11.558 0.543 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.424 -1.294 -4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.402 -1.597 -2.960 1.00 0.00 H new ATOM 1271 N GLN A 87 10.386 -2.135 -2.118 1.00 0.00 N ATOM 1272 CA GLN A 87 9.318 -3.009 -1.679 1.00 0.00 C ATOM 1273 C GLN A 87 8.117 -2.136 -1.296 1.00 0.00 C ATOM 1274 O GLN A 87 8.155 -0.919 -1.487 1.00 0.00 O ATOM 1275 CB GLN A 87 9.836 -3.912 -0.543 1.00 0.00 C ATOM 1276 CG GLN A 87 10.504 -3.194 0.650 1.00 0.00 C ATOM 1277 CD GLN A 87 11.468 -4.110 1.408 1.00 0.00 C ATOM 1278 OE1 GLN A 87 12.328 -4.760 0.818 1.00 0.00 O ATOM 1279 NE2 GLN A 87 11.357 -4.205 2.725 1.00 0.00 N ATOM 0 H GLN A 87 10.259 -1.181 -1.779 1.00 0.00 H new ATOM 0 HA GLN A 87 8.984 -3.685 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.000 -4.499 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.554 -4.615 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.045 -2.319 0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.734 -2.834 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.644 -3.666 3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.985 -4.817 3.247 1.00 0.00 H new ATOM 1288 N VAL A 88 7.034 -2.752 -0.836 1.00 0.00 N ATOM 1289 CA VAL A 88 5.847 -2.104 -0.320 1.00 0.00 C ATOM 1290 C VAL A 88 5.215 -3.072 0.675 1.00 0.00 C ATOM 1291 O VAL A 88 5.027 -4.259 0.394 1.00 0.00 O ATOM 1292 CB VAL A 88 4.921 -1.691 -1.492 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.320 -2.867 -2.274 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.784 -0.769 -1.031 1.00 0.00 C ATOM 0 H VAL A 88 6.963 -3.769 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 88 6.066 -1.174 0.205 1.00 0.00 H new ATOM 0 HB VAL A 88 5.585 -1.155 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.686 -2.486 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.123 -3.468 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.724 -3.484 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.161 -0.505 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.178 -1.283 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.204 0.137 -0.595 1.00 0.00 H new ATOM 1304 N ASN A 89 4.882 -2.576 1.859 1.00 0.00 N ATOM 1305 CA ASN A 89 3.957 -3.266 2.746 1.00 0.00 C ATOM 1306 C ASN A 89 2.552 -2.945 2.250 1.00 0.00 C ATOM 1307 O ASN A 89 2.297 -1.807 1.850 1.00 0.00 O ATOM 1308 CB ASN A 89 4.130 -2.724 4.174 1.00 0.00 C ATOM 1309 CG ASN A 89 2.859 -2.886 5.010 1.00 0.00 C ATOM 1310 OD1 ASN A 89 2.019 -1.994 5.062 1.00 0.00 O ATOM 1311 ND2 ASN A 89 2.664 -4.035 5.626 1.00 0.00 N ATOM 0 H ASN A 89 5.240 -1.695 2.228 1.00 0.00 H new ATOM 0 HA ASN A 89 4.137 -4.341 2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.953 -3.246 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.403 -1.670 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.806 -4.191 6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.371 -4.768 5.574 1.00 0.00 H new ATOM 1318 N LEU A 90 1.637 -3.912 2.293 1.00 0.00 N ATOM 1319 CA LEU A 90 0.243 -3.720 1.919 1.00 0.00 C ATOM 1320 C LEU A 90 -0.554 -4.423 3.004 1.00 0.00 C ATOM 1321 O LEU A 90 -0.330 -5.606 3.246 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.061 -4.323 0.532 1.00 0.00 C ATOM 1323 CG LEU A 90 0.873 -3.835 -0.602 1.00 0.00 C ATOM 1324 CD1 LEU A 90 1.133 -4.946 -1.622 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.302 -2.585 -1.273 1.00 0.00 C ATOM 0 H LEU A 90 1.850 -4.863 2.593 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.010 -2.663 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.008 -5.409 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.091 -4.085 0.265 1.00 0.00 H new ATOM 0 HG LEU A 90 1.833 -3.569 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.792 -4.573 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.604 -5.794 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.188 -5.264 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.974 -2.259 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.676 -2.814 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.200 -1.790 -0.534 1.00 0.00 H new ATOM 1337 N THR A 91 -1.445 -3.714 3.681 1.00 0.00 N ATOM 1338 CA THR A 91 -2.344 -4.327 4.646 1.00 0.00 C ATOM 1339 C THR A 91 -3.734 -4.128 4.071 1.00 0.00 C ATOM 1340 O THR A 91 -4.172 -2.981 3.940 1.00 0.00 O ATOM 1341 CB THR A 91 -2.151 -3.684 6.025 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.770 -3.670 6.358 1.00 0.00 O ATOM 1343 CG2 THR A 91 -2.940 -4.412 7.124 1.00 0.00 C ATOM 0 H THR A 91 -1.565 -2.706 3.578 1.00 0.00 H new ATOM 0 HA THR A 91 -2.156 -5.389 4.803 1.00 0.00 H new ATOM 0 HB THR A 91 -2.535 -2.665 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.650 -3.257 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.770 -3.919 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.003 -4.386 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.607 -5.448 7.186 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.392 -5.217 3.682 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.783 -5.199 3.260 1.00 0.00 C ATOM 1353 C VAL A 92 -6.635 -5.662 4.456 1.00 0.00 C ATOM 1354 O VAL A 92 -6.087 -6.139 5.449 1.00 0.00 O ATOM 1355 CB VAL A 92 -5.977 -6.033 1.963 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.196 -5.478 0.760 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.569 -7.498 2.117 1.00 0.00 C ATOM 0 H VAL A 92 -3.967 -6.144 3.652 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.112 -4.197 2.986 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.049 -5.960 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.376 -6.107 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.527 -4.461 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.130 -5.472 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.730 -8.022 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.515 -7.556 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.171 -7.963 2.898 1.00 0.00 H new ATOM 1367 N ARG A 93 -7.963 -5.531 4.433 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.851 -6.086 5.451 1.00 0.00 C ATOM 1369 C ARG A 93 -10.192 -6.430 4.843 1.00 0.00 C ATOM 1370 O ARG A 93 -10.615 -5.791 3.883 1.00 0.00 O ATOM 1371 CB ARG A 93 -8.981 -5.156 6.658 1.00 0.00 C ATOM 1372 CG ARG A 93 -9.960 -4.000 6.492 1.00 0.00 C ATOM 1373 CD ARG A 93 -9.930 -3.048 7.693 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.092 -1.645 7.294 1.00 0.00 N ATOM 1375 CZ ARG A 93 -9.959 -0.579 8.088 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -9.725 -0.703 9.388 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.046 0.626 7.546 1.00 0.00 N ATOM 0 H ARG A 93 -8.457 -5.029 3.695 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.410 -7.009 5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.288 -5.748 7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -7.997 -4.746 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.718 -3.447 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.969 -4.394 6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.723 -3.320 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.986 -3.166 8.224 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.329 -1.467 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.642 -1.630 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.628 0.129 9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.211 0.724 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.948 1.456 8.130 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.859 -7.455 5.368 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.097 -7.973 4.791 1.00 0.00 C ATOM 1393 C ARG A 94 -12.971 -8.480 5.927 1.00 0.00 C ATOM 1394 O ARG A 94 -12.502 -9.283 6.742 1.00 0.00 O ATOM 1395 CB ARG A 94 -11.770 -9.078 3.770 1.00 0.00 C ATOM 1396 CG ARG A 94 -10.974 -8.548 2.555 1.00 0.00 C ATOM 1397 CD ARG A 94 -10.455 -9.689 1.680 1.00 0.00 C ATOM 1398 NE ARG A 94 -11.490 -10.299 0.841 1.00 0.00 N ATOM 1399 CZ ARG A 94 -11.299 -11.364 0.053 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -10.149 -12.032 0.028 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -12.306 -11.782 -0.696 1.00 0.00 N ATOM 0 H ARG A 94 -10.556 -7.950 6.207 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.639 -7.194 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.196 -9.863 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.698 -9.532 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.611 -7.893 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.135 -7.946 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.656 -9.312 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.017 -10.456 2.319 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.421 -9.883 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.375 -11.737 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.041 -12.839 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.202 -11.295 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.187 -12.591 -1.305 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.202 -7.972 6.033 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.186 -8.336 7.054 1.00 0.00 C ATOM 1417 C LYS A 95 -15.385 -9.843 7.120 1.00 0.00 C ATOM 1418 O LYS A 95 -15.247 -10.537 6.112 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.471 -7.534 6.800 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.283 -7.301 8.083 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.524 -8.194 8.208 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.622 -7.753 7.228 1.00 0.00 C ATOM 1423 NZ LYS A 95 -20.886 -7.406 7.912 1.00 0.00 N ATOM 0 H LYS A 95 -14.553 -7.268 5.384 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.828 -8.069 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.213 -6.572 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.088 -8.064 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.638 -7.471 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.594 -6.257 8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.251 -9.231 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.905 -8.153 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.272 -6.891 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.808 -8.553 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.594 -7.115 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.237 -8.234 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.718 -6.624 8.577 1.00 0.00 H new ATOM 1437 N VAL A 96 -15.626 -10.358 8.322 1.00 0.00 N ATOM 1438 CA VAL A 96 -15.770 -11.791 8.545 1.00 0.00 C ATOM 1439 C VAL A 96 -17.251 -12.105 8.608 1.00 0.00 C ATOM 1440 O VAL A 96 -17.981 -11.530 9.418 1.00 0.00 O ATOM 1441 CB VAL A 96 -15.021 -12.229 9.813 1.00 0.00 C ATOM 1442 CG1 VAL A 96 -15.143 -13.739 10.043 1.00 0.00 C ATOM 1443 CG2 VAL A 96 -13.535 -11.869 9.761 1.00 0.00 C ATOM 0 H VAL A 96 -15.727 -9.794 9.166 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.322 -12.354 7.726 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.490 -11.689 10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -14.602 -14.014 10.948 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.194 -14.006 10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -14.720 -14.272 9.191 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.048 -12.199 10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.071 -12.362 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.426 -10.789 9.660 1.00 0.00 H new ATOM 1453 N LEU A 97 -17.700 -12.995 7.728 1.00 0.00 N ATOM 1454 CA LEU A 97 -19.114 -13.259 7.537 1.00 0.00 C ATOM 1455 C LEU A 97 -19.368 -14.724 7.215 1.00 0.00 C ATOM 1456 O LEU A 97 -20.249 -15.326 7.821 1.00 0.00 O ATOM 1457 CB LEU A 97 -19.621 -12.322 6.436 1.00 0.00 C ATOM 1458 CG LEU A 97 -21.163 -12.222 6.446 1.00 0.00 C ATOM 1459 CD1 LEU A 97 -21.612 -10.759 6.518 1.00 0.00 C ATOM 1460 CD2 LEU A 97 -21.761 -12.895 5.209 1.00 0.00 C ATOM 0 H LEU A 97 -17.090 -13.551 7.129 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.663 -13.064 8.458 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -19.190 -11.330 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.285 -12.684 5.465 1.00 0.00 H new ATOM 0 HG LEU A 97 -21.525 -12.742 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.701 -10.712 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.224 -10.304 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.230 -10.218 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -22.847 -12.812 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -21.384 -12.406 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.478 -13.948 5.195 1.00 0.00 H new ATOM 1472 N SER A 98 -18.620 -15.318 6.282 1.00 0.00 N ATOM 1473 CA SER A 98 -18.544 -16.758 6.001 1.00 0.00 C ATOM 1474 C SER A 98 -17.264 -17.005 5.195 1.00 0.00 C ATOM 1475 O SER A 98 -16.694 -16.043 4.671 1.00 0.00 O ATOM 1476 CB SER A 98 -19.773 -17.232 5.216 1.00 0.00 C ATOM 1477 OG SER A 98 -20.933 -17.120 6.014 1.00 0.00 O ATOM 0 H SER A 98 -18.015 -14.777 5.665 1.00 0.00 H new ATOM 0 HA SER A 98 -18.524 -17.320 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.887 -16.637 4.310 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.637 -18.267 4.902 1.00 0.00 H new ATOM 0 HG SER A 98 -20.691 -16.765 6.895 1.00 0.00 H new ATOM 1483 N GLY A 99 -16.802 -18.253 5.096 1.00 0.00 N ATOM 1484 CA GLY A 99 -15.469 -18.579 4.608 1.00 0.00 C ATOM 1485 C GLY A 99 -15.523 -19.482 3.385 1.00 0.00 C ATOM 1486 O GLY A 99 -15.667 -18.948 2.282 1.00 0.00 O ATOM 0 H GLY A 99 -17.352 -19.072 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.938 -17.660 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.902 -19.071 5.399 1.00 0.00 H new ATOM 1490 N PRO A 100 -15.387 -20.809 3.558 1.00 0.00 N ATOM 1491 CA PRO A 100 -15.399 -21.776 2.473 1.00 0.00 C ATOM 1492 C PRO A 100 -16.763 -21.763 1.786 1.00 0.00 C ATOM 1493 O PRO A 100 -17.766 -22.165 2.379 1.00 0.00 O ATOM 1494 CB PRO A 100 -15.061 -23.129 3.112 1.00 0.00 C ATOM 1495 CG PRO A 100 -15.519 -22.965 4.561 1.00 0.00 C ATOM 1496 CD PRO A 100 -15.255 -21.486 4.840 1.00 0.00 C ATOM 0 HA PRO A 100 -14.672 -21.548 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.583 -23.948 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -13.995 -23.347 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -16.573 -23.217 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.957 -23.610 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -15.967 -21.092 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.259 -21.339 5.259 1.00 0.00 H new ATOM 1504 N SER A 101 -16.806 -21.270 0.553 1.00 0.00 N ATOM 1505 CA SER A 101 -18.014 -21.182 -0.249 1.00 0.00 C ATOM 1506 C SER A 101 -18.191 -22.502 -1.005 1.00 0.00 C ATOM 1507 O SER A 101 -18.097 -22.539 -2.233 1.00 0.00 O ATOM 1508 CB SER A 101 -17.920 -19.969 -1.186 1.00 0.00 C ATOM 1509 OG SER A 101 -17.569 -18.807 -0.453 1.00 0.00 O ATOM 0 H SER A 101 -15.979 -20.912 0.075 1.00 0.00 H new ATOM 0 HA SER A 101 -18.894 -21.032 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 101 -17.177 -20.156 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.874 -19.815 -1.690 1.00 0.00 H new ATOM 0 HG SER A 101 -17.511 -18.041 -1.062 1.00 0.00 H new ATOM 1515 N SER A 102 -18.395 -23.605 -0.283 1.00 0.00 N ATOM 1516 CA SER A 102 -18.685 -24.899 -0.883 1.00 0.00 C ATOM 1517 C SER A 102 -20.145 -24.891 -1.354 1.00 0.00 C ATOM 1518 O SER A 102 -21.027 -25.439 -0.692 1.00 0.00 O ATOM 1519 CB SER A 102 -18.333 -26.016 0.114 1.00 0.00 C ATOM 1520 OG SER A 102 -18.859 -25.764 1.407 1.00 0.00 O ATOM 0 H SER A 102 -18.363 -23.621 0.736 1.00 0.00 H new ATOM 0 HA SER A 102 -18.073 -25.095 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.720 -26.966 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.249 -26.116 0.177 1.00 0.00 H new ATOM 0 HG SER A 102 -19.810 -25.538 1.335 1.00 0.00 H new ATOM 1526 N GLY A 103 -20.432 -24.214 -2.463 1.00 0.00 N ATOM 1527 CA GLY A 103 -21.781 -23.962 -2.931 1.00 0.00 C ATOM 1528 C GLY A 103 -21.765 -22.654 -3.673 1.00 0.00 C ATOM 1529 O GLY A 103 -22.451 -21.716 -3.222 1.00 0.00 O ATOM 0 H GLY A 103 -19.714 -23.819 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.118 -24.768 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.476 -23.919 -2.092 1.00 0.00 H new TER 1533 GLY A 103