USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 778 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 49 ASN : amide:sc= -0.0589 K(o=-1.4,f=-2.3) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.33! X(o=-1.4!,f=-1.4) USER MOD Single : A 1 THR N :NH3+ -168:sc= 0.464 (180deg=-0.241) USER MOD Single : A 1 THR OG1 : rot 35:sc= 0.807 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.3!) USER MOD Single : A 5 THR OG1 : rot 7:sc= 0.377 USER MOD Single : A 12 ASN : amide:sc= -0.0688 K(o=-0.069,f=-2!) USER MOD Single : A 25 CYS SG : rot 41:sc= 0.179 USER MOD Single : A 26 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.392 USER MOD Single : A 29 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.4) USER MOD Single : A 35 HIS : no HD1:sc= -2.35! K(o=-2.4!,f=-0.64) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.368! USER MOD Single : A 47 SER OG : rot 180:sc= -0.669! USER MOD Single : A 57 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.3!) USER MOD Single : A 61 HIS : no HD1:sc= -4.28! C(o=-4.3!,f=-10!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.023 K(o=-0.023,f=-1.7!) USER MOD Single : A 73 SER OG : rot 110:sc= -1.83 USER MOD Single : A 74 CYS SG : rot 170:sc= -1.07! USER MOD Single : A 77 THR OG1 : rot 100:sc= 0.0969 USER MOD Single : A 83 MET CE :methyl -137:sc= -2.63! (180deg=-4.25!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.785 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.66) USER MOD Single : A 99 HIS : no HD1:sc=-0.00283 X(o=-0.0028,f=-0.12) USER MOD Single : A 100 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-4.5!) USER MOD Single : A 101 HIS : no HE2:sc= -0.0683 K(o=-0.068,f=-1.8) USER MOD Single : A 102 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 54.266 -0.374 -1.480 1.00 0.00 N ATOM 2 CA THR A 1 54.605 0.952 -2.072 1.00 0.00 C ATOM 3 C THR A 1 53.864 2.051 -1.316 1.00 0.00 C ATOM 4 O THR A 1 52.635 2.105 -1.335 1.00 0.00 O ATOM 5 CB THR A 1 54.185 0.975 -3.545 1.00 0.00 C ATOM 6 OG1 THR A 1 52.799 0.674 -3.643 1.00 0.00 O ATOM 7 CG2 THR A 1 54.990 -0.059 -4.334 1.00 0.00 C ATOM 0 H1 THR A 1 54.915 -1.096 -1.852 1.00 0.00 H new ATOM 0 H2 THR A 1 54.358 -0.326 -0.445 1.00 0.00 H new ATOM 0 H3 THR A 1 53.288 -0.626 -1.730 1.00 0.00 H new ATOM 0 HA THR A 1 55.679 1.120 -1.997 1.00 0.00 H new ATOM 0 HB THR A 1 54.376 1.965 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 1 52.326 1.057 -2.875 1.00 0.00 H new ATOM 0 HG21 THR A 1 54.685 -0.036 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 1 56.052 0.174 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 1 54.807 -1.052 -3.924 1.00 0.00 H new ATOM 17 N ALA A 2 54.616 2.932 -0.656 1.00 0.00 N ATOM 18 CA ALA A 2 54.017 4.039 0.096 1.00 0.00 C ATOM 19 C ALA A 2 54.767 5.338 -0.176 1.00 0.00 C ATOM 20 O ALA A 2 54.153 6.396 -0.316 1.00 0.00 O ATOM 21 CB ALA A 2 54.043 3.738 1.598 1.00 0.00 C ATOM 0 H ALA A 2 55.635 2.903 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 2 52.983 4.151 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.595 4.569 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.478 2.827 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.074 3.604 1.924 1.00 0.00 H new ATOM 27 N LYS A 3 56.093 5.253 -0.265 1.00 0.00 N ATOM 28 CA LYS A 3 56.907 6.432 -0.534 1.00 0.00 C ATOM 29 C LYS A 3 58.366 6.044 -0.709 1.00 0.00 C ATOM 30 O LYS A 3 58.904 5.273 0.078 1.00 0.00 O ATOM 31 CB LYS A 3 56.797 7.440 0.620 1.00 0.00 C ATOM 32 CG LYS A 3 57.398 6.852 1.898 1.00 0.00 C ATOM 33 CD LYS A 3 57.120 7.790 3.076 1.00 0.00 C ATOM 34 CE LYS A 3 57.982 7.362 4.263 1.00 0.00 C ATOM 35 NZ LYS A 3 57.732 8.264 5.422 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.621 4.387 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 3 56.538 6.888 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 3 57.315 8.362 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 3 55.751 7.699 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 3 56.970 5.869 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 3 58.472 6.713 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 3 57.345 8.820 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.064 7.755 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 3 57.754 6.332 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 3 59.036 7.393 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 58.321 7.968 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 57.971 9.241 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.729 8.214 5.691 1.00 0.00 H new ATOM 49 N ASN A 4 59.023 6.620 -1.710 1.00 0.00 N ATOM 50 CA ASN A 4 60.438 6.369 -1.938 1.00 0.00 C ATOM 51 C ASN A 4 61.100 7.706 -2.205 1.00 0.00 C ATOM 52 O ASN A 4 60.882 8.315 -3.250 1.00 0.00 O ATOM 53 CB ASN A 4 60.637 5.415 -3.116 1.00 0.00 C ATOM 54 CG ASN A 4 59.747 5.819 -4.290 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.369 6.982 -4.418 1.00 0.00 O ATOM 56 ND2 ASN A 4 59.382 4.918 -5.160 1.00 0.00 N ATOM 0 H ASN A 4 58.596 7.264 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 4 60.886 5.893 -1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.682 5.423 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.403 4.396 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 4 58.784 5.179 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 4 59.694 3.953 -5.056 1.00 0.00 H new ATOM 63 N THR A 5 61.892 8.188 -1.252 1.00 0.00 N ATOM 64 CA THR A 5 62.544 9.483 -1.417 1.00 0.00 C ATOM 65 C THR A 5 63.858 9.534 -0.641 1.00 0.00 C ATOM 66 O THR A 5 63.865 9.575 0.587 1.00 0.00 O ATOM 67 CB THR A 5 61.595 10.580 -0.906 1.00 0.00 C ATOM 68 OG1 THR A 5 60.522 10.735 -1.827 1.00 0.00 O ATOM 69 CG2 THR A 5 62.342 11.912 -0.763 1.00 0.00 C ATOM 0 H THR A 5 62.096 7.712 -0.373 1.00 0.00 H new ATOM 0 HA THR A 5 62.769 9.639 -2.472 1.00 0.00 H new ATOM 0 HB THR A 5 61.209 10.289 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.577 10.038 -2.514 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.655 12.677 -0.400 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.162 11.795 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.740 12.212 -1.732 1.00 0.00 H new ATOM 77 N VAL A 6 64.963 9.526 -1.373 1.00 0.00 N ATOM 78 CA VAL A 6 66.277 9.565 -0.742 1.00 0.00 C ATOM 79 C VAL A 6 66.481 10.888 -0.012 1.00 0.00 C ATOM 80 O VAL A 6 66.217 11.961 -0.554 1.00 0.00 O ATOM 81 CB VAL A 6 67.383 9.364 -1.783 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.408 10.548 -2.753 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.737 9.259 -1.078 1.00 0.00 C ATOM 0 H VAL A 6 64.978 9.493 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 6 66.329 8.753 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 6 67.186 8.447 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.197 10.398 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.446 10.623 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.599 11.468 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.523 9.116 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.928 10.175 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.726 8.411 -0.393 1.00 0.00 H new ATOM 93 N VAL A 7 66.975 10.794 1.221 1.00 0.00 N ATOM 94 CA VAL A 7 67.248 11.975 2.038 1.00 0.00 C ATOM 95 C VAL A 7 68.729 12.307 1.956 1.00 0.00 C ATOM 96 O VAL A 7 69.120 13.475 1.927 1.00 0.00 O ATOM 97 CB VAL A 7 66.862 11.711 3.496 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.165 12.954 4.343 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.366 11.387 3.577 1.00 0.00 C ATOM 0 H VAL A 7 67.195 9.909 1.678 1.00 0.00 H new ATOM 0 HA VAL A 7 66.659 12.813 1.665 1.00 0.00 H new ATOM 0 HB VAL A 7 67.438 10.867 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.889 12.764 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.229 13.182 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.592 13.801 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.090 11.199 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.790 12.230 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.153 10.501 2.979 1.00 0.00 H new ATOM 109 N ARG A 8 69.549 11.260 1.913 1.00 0.00 N ATOM 110 CA ARG A 8 70.999 11.420 1.827 1.00 0.00 C ATOM 111 C ARG A 8 71.611 10.341 0.952 1.00 0.00 C ATOM 112 O ARG A 8 71.398 9.148 1.171 1.00 0.00 O ATOM 113 CB ARG A 8 71.628 11.360 3.237 1.00 0.00 C ATOM 114 CG ARG A 8 73.099 10.885 3.165 1.00 0.00 C ATOM 115 CD ARG A 8 73.772 11.088 4.520 1.00 0.00 C ATOM 116 NE ARG A 8 73.146 10.241 5.526 1.00 0.00 N ATOM 117 CZ ARG A 8 73.528 10.289 6.797 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.791 10.433 7.092 1.00 0.00 N ATOM 119 NH2 ARG A 8 72.643 10.192 7.750 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.234 10.290 1.936 1.00 0.00 H new ATOM 0 HA ARG A 8 71.205 12.392 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.582 12.345 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.053 10.682 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.138 9.833 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.634 11.442 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 8 74.834 10.852 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.698 12.134 4.818 1.00 0.00 H new ATOM 0 HE ARG A 8 72.402 9.600 5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.483 10.509 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.086 10.470 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 8 71.656 10.079 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 8 72.938 10.229 8.726 1.00 0.00 H new ATOM 133 N GLY A 9 72.418 10.770 -0.002 1.00 0.00 N ATOM 134 CA GLY A 9 73.114 9.847 -0.868 1.00 0.00 C ATOM 135 C GLY A 9 74.463 9.519 -0.249 1.00 0.00 C ATOM 136 O GLY A 9 74.793 10.012 0.830 1.00 0.00 O ATOM 0 H GLY A 9 72.605 11.754 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.528 8.938 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.249 10.285 -1.857 1.00 0.00 H new ATOM 140 N LEU A 10 75.246 8.705 -0.928 1.00 0.00 N ATOM 141 CA LEU A 10 76.559 8.345 -0.428 1.00 0.00 C ATOM 142 C LEU A 10 77.437 9.587 -0.426 1.00 0.00 C ATOM 143 O LEU A 10 77.065 10.610 -1.003 1.00 0.00 O ATOM 144 CB LEU A 10 77.156 7.262 -1.324 1.00 0.00 C ATOM 145 CG LEU A 10 76.240 6.022 -1.298 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.514 5.155 -2.533 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.493 5.192 -0.029 1.00 0.00 C ATOM 0 H LEU A 10 74.999 8.282 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 10 76.490 7.957 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.258 7.632 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.156 6.998 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 10 75.202 6.355 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.866 4.279 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.315 5.734 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.556 4.836 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.838 4.321 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.532 4.864 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.288 5.801 0.851 1.00 0.00 H new ATOM 159 N GLU A 11 78.593 9.517 0.225 1.00 0.00 N ATOM 160 CA GLU A 11 79.487 10.670 0.282 1.00 0.00 C ATOM 161 C GLU A 11 80.940 10.211 0.317 1.00 0.00 C ATOM 162 O GLU A 11 81.220 9.016 0.405 1.00 0.00 O ATOM 163 CB GLU A 11 79.170 11.512 1.526 1.00 0.00 C ATOM 164 CG GLU A 11 78.838 10.588 2.702 1.00 0.00 C ATOM 165 CD GLU A 11 77.417 10.045 2.565 1.00 0.00 C ATOM 166 OE1 GLU A 11 76.542 10.816 2.209 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.227 8.868 2.822 1.00 0.00 O ATOM 0 H GLU A 11 78.930 8.688 0.714 1.00 0.00 H new ATOM 0 HA GLU A 11 79.336 11.279 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.022 12.144 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.329 12.176 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.548 9.762 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.937 11.133 3.641 1.00 0.00 H new ATOM 174 N ASN A 12 81.859 11.166 0.243 1.00 0.00 N ATOM 175 CA ASN A 12 83.273 10.837 0.265 1.00 0.00 C ATOM 176 C ASN A 12 83.625 10.168 1.583 1.00 0.00 C ATOM 177 O ASN A 12 83.136 10.562 2.641 1.00 0.00 O ATOM 178 CB ASN A 12 84.117 12.099 0.085 1.00 0.00 C ATOM 179 CG ASN A 12 83.935 12.651 -1.320 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.885 11.887 -2.281 1.00 0.00 O ATOM 181 ND2 ASN A 12 83.833 13.938 -1.497 1.00 0.00 N ATOM 0 H ASN A 12 81.651 12.162 0.168 1.00 0.00 H new ATOM 0 HA ASN A 12 83.486 10.153 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 12 83.825 12.849 0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 12 85.168 11.872 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.711 14.315 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 12 83.875 14.568 -0.696 1.00 0.00 H new ATOM 188 N VAL A 13 84.484 9.159 1.511 1.00 0.00 N ATOM 189 CA VAL A 13 84.916 8.436 2.706 1.00 0.00 C ATOM 190 C VAL A 13 86.434 8.272 2.694 1.00 0.00 C ATOM 191 O VAL A 13 87.018 7.881 1.685 1.00 0.00 O ATOM 192 CB VAL A 13 84.220 7.065 2.777 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.866 6.208 3.869 1.00 0.00 C ATOM 194 CG2 VAL A 13 82.733 7.255 3.113 1.00 0.00 C ATOM 0 H VAL A 13 84.896 8.821 0.641 1.00 0.00 H new ATOM 0 HA VAL A 13 84.636 9.008 3.591 1.00 0.00 H new ATOM 0 HB VAL A 13 84.322 6.569 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.368 5.239 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.922 6.063 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.768 6.711 4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.244 6.282 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.639 7.758 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.260 7.860 2.340 1.00 0.00 H new ATOM 204 N GLU A 14 87.062 8.558 3.834 1.00 0.00 N ATOM 205 CA GLU A 14 88.514 8.428 3.975 1.00 0.00 C ATOM 206 C GLU A 14 88.828 7.185 4.793 1.00 0.00 C ATOM 207 O GLU A 14 87.956 6.657 5.481 1.00 0.00 O ATOM 208 CB GLU A 14 89.093 9.664 4.671 1.00 0.00 C ATOM 209 CG GLU A 14 89.008 10.872 3.733 1.00 0.00 C ATOM 210 CD GLU A 14 89.567 12.112 4.424 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.756 12.127 4.702 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 88.800 13.030 4.662 1.00 0.00 O ATOM 0 H GLU A 14 86.587 8.882 4.676 1.00 0.00 H new ATOM 0 HA GLU A 14 88.963 8.342 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.544 9.866 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.130 9.482 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.567 10.672 2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 14 87.972 11.044 3.442 1.00 0.00 H new ATOM 219 N ALA A 15 90.063 6.701 4.716 1.00 0.00 N ATOM 220 CA ALA A 15 90.428 5.502 5.466 1.00 0.00 C ATOM 221 C ALA A 15 91.929 5.417 5.718 1.00 0.00 C ATOM 222 O ALA A 15 92.709 6.268 5.287 1.00 0.00 O ATOM 223 CB ALA A 15 89.956 4.255 4.709 1.00 0.00 C ATOM 0 H ALA A 15 90.813 7.107 4.157 1.00 0.00 H new ATOM 0 HA ALA A 15 89.936 5.558 6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.230 3.362 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.873 4.290 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 15 90.429 4.225 3.727 1.00 0.00 H new ATOM 229 N LEU A 16 92.306 4.355 6.421 1.00 0.00 N ATOM 230 CA LEU A 16 93.704 4.086 6.759 1.00 0.00 C ATOM 231 C LEU A 16 94.083 2.670 6.357 1.00 0.00 C ATOM 232 O LEU A 16 93.348 1.714 6.612 1.00 0.00 O ATOM 233 CB LEU A 16 93.925 4.286 8.268 1.00 0.00 C ATOM 234 CG LEU A 16 94.110 5.788 8.575 1.00 0.00 C ATOM 235 CD1 LEU A 16 93.605 6.105 9.987 1.00 0.00 C ATOM 236 CD2 LEU A 16 95.595 6.165 8.487 1.00 0.00 C ATOM 0 H LEU A 16 91.654 3.655 6.774 1.00 0.00 H new ATOM 0 HA LEU A 16 94.338 4.783 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 16 93.074 3.894 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 16 94.803 3.728 8.593 1.00 0.00 H new ATOM 0 HG LEU A 16 93.540 6.360 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 16 93.741 7.167 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 16 92.547 5.854 10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 16 94.168 5.520 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 16 95.715 7.226 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 16 96.162 5.580 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 16 95.964 5.957 7.483 1.00 0.00 H new ATOM 248 N GLU A 17 95.241 2.552 5.730 1.00 0.00 N ATOM 249 CA GLU A 17 95.741 1.250 5.286 1.00 0.00 C ATOM 250 C GLU A 17 95.459 0.176 6.339 1.00 0.00 C ATOM 251 O GLU A 17 95.896 0.288 7.485 1.00 0.00 O ATOM 252 CB GLU A 17 97.249 1.352 5.037 1.00 0.00 C ATOM 253 CG GLU A 17 97.792 0.034 4.471 1.00 0.00 C ATOM 254 CD GLU A 17 97.264 -0.192 3.058 1.00 0.00 C ATOM 255 OE1 GLU A 17 96.675 0.726 2.512 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 97.463 -1.279 2.542 1.00 0.00 O ATOM 0 H GLU A 17 95.856 3.337 5.514 1.00 0.00 H new ATOM 0 HA GLU A 17 95.231 0.967 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.454 2.165 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.762 1.593 5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 98.882 0.056 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.497 -0.795 5.114 1.00 0.00 H new ATOM 263 N GLY A 18 94.722 -0.858 5.941 1.00 0.00 N ATOM 264 CA GLY A 18 94.386 -1.945 6.857 1.00 0.00 C ATOM 265 C GLY A 18 93.307 -1.515 7.846 1.00 0.00 C ATOM 266 O GLY A 18 93.325 -1.919 9.010 1.00 0.00 O ATOM 0 H GLY A 18 94.349 -0.966 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 18 94.040 -2.809 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.278 -2.256 7.400 1.00 0.00 H new ATOM 270 N GLY A 19 92.377 -0.679 7.382 1.00 0.00 N ATOM 271 CA GLY A 19 91.293 -0.180 8.236 1.00 0.00 C ATOM 272 C GLY A 19 89.923 -0.616 7.718 1.00 0.00 C ATOM 273 O GLY A 19 89.789 -1.667 7.090 1.00 0.00 O ATOM 0 H GLY A 19 92.351 -0.333 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.432 -0.547 9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.336 0.908 8.281 1.00 0.00 H new ATOM 277 N GLU A 20 88.904 0.203 7.999 1.00 0.00 N ATOM 278 CA GLU A 20 87.532 -0.089 7.573 1.00 0.00 C ATOM 279 C GLU A 20 86.882 1.148 6.959 1.00 0.00 C ATOM 280 O GLU A 20 87.522 2.191 6.816 1.00 0.00 O ATOM 281 CB GLU A 20 86.701 -0.562 8.772 1.00 0.00 C ATOM 282 CG GLU A 20 86.801 0.454 9.917 1.00 0.00 C ATOM 283 CD GLU A 20 88.194 0.411 10.541 1.00 0.00 C ATOM 284 OE1 GLU A 20 88.784 -0.657 10.553 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 88.654 1.449 10.988 1.00 0.00 O ATOM 0 H GLU A 20 89.004 1.074 8.520 1.00 0.00 H new ATOM 0 HA GLU A 20 87.568 -0.877 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.659 -0.686 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.055 -1.536 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 86.593 1.456 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.048 0.234 10.674 1.00 0.00 H new ATOM 292 N ALA A 21 85.601 1.027 6.601 1.00 0.00 N ATOM 293 CA ALA A 21 84.864 2.152 6.008 1.00 0.00 C ATOM 294 C ALA A 21 83.378 2.046 6.336 1.00 0.00 C ATOM 295 O ALA A 21 82.847 0.947 6.455 1.00 0.00 O ATOM 296 CB ALA A 21 85.041 2.155 4.489 1.00 0.00 C ATOM 0 H ALA A 21 85.055 0.172 6.709 1.00 0.00 H new ATOM 0 HA ALA A 21 85.261 3.078 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.491 2.993 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.099 2.254 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.660 1.221 4.076 1.00 0.00 H new ATOM 302 N LEU A 22 82.706 3.192 6.493 1.00 0.00 N ATOM 303 CA LEU A 22 81.274 3.192 6.821 1.00 0.00 C ATOM 304 C LEU A 22 80.492 4.175 5.960 1.00 0.00 C ATOM 305 O LEU A 22 80.784 5.370 5.949 1.00 0.00 O ATOM 306 CB LEU A 22 81.072 3.573 8.294 1.00 0.00 C ATOM 307 CG LEU A 22 81.941 2.678 9.214 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.287 3.356 9.499 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.219 2.437 10.546 1.00 0.00 C ATOM 0 H LEU A 22 83.122 4.119 6.400 1.00 0.00 H new ATOM 0 HA LEU A 22 80.903 2.185 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.334 4.620 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.021 3.466 8.562 1.00 0.00 H new ATOM 0 HG LEU A 22 82.110 1.728 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.887 2.716 10.146 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.817 3.522 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 22 83.115 4.312 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.837 1.807 11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 22 81.040 3.392 11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.267 1.941 10.359 1.00 0.00 H new ATOM 321 N PHE A 23 79.475 3.670 5.257 1.00 0.00 N ATOM 322 CA PHE A 23 78.624 4.515 4.412 1.00 0.00 C ATOM 323 C PHE A 23 77.208 4.560 4.981 1.00 0.00 C ATOM 324 O PHE A 23 76.481 3.563 4.938 1.00 0.00 O ATOM 325 CB PHE A 23 78.572 3.950 2.986 1.00 0.00 C ATOM 326 CG PHE A 23 79.856 4.269 2.265 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.938 3.386 2.336 1.00 0.00 C ATOM 328 CD2 PHE A 23 79.963 5.451 1.524 1.00 0.00 C ATOM 329 CE1 PHE A 23 82.129 3.686 1.665 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.151 5.751 0.851 1.00 0.00 C ATOM 331 CZ PHE A 23 82.235 4.868 0.922 1.00 0.00 C ATOM 0 H PHE A 23 79.220 2.682 5.255 1.00 0.00 H new ATOM 0 HA PHE A 23 79.043 5.521 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.420 2.871 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.726 4.376 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 23 80.855 2.474 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.127 6.132 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 23 82.966 3.006 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.232 6.662 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.154 5.099 0.403 1.00 0.00 H new ATOM 341 N GLU A 24 76.832 5.711 5.539 1.00 0.00 N ATOM 342 CA GLU A 24 75.507 5.873 6.142 1.00 0.00 C ATOM 343 C GLU A 24 74.584 6.679 5.245 1.00 0.00 C ATOM 344 O GLU A 24 74.798 7.871 5.018 1.00 0.00 O ATOM 345 CB GLU A 24 75.641 6.579 7.492 1.00 0.00 C ATOM 346 CG GLU A 24 76.289 5.622 8.484 1.00 0.00 C ATOM 347 CD GLU A 24 76.552 6.327 9.810 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.257 7.507 9.901 1.00 0.00 O ATOM 349 OE2 GLU A 24 77.046 5.675 10.714 1.00 0.00 O1- ATOM 0 H GLU A 24 77.422 6.542 5.586 1.00 0.00 H new ATOM 0 HA GLU A 24 75.075 4.881 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.245 7.481 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.661 6.891 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.640 4.761 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.225 5.243 8.075 1.00 0.00 H new ATOM 356 N CYS A 25 73.544 6.013 4.744 1.00 0.00 N ATOM 357 CA CYS A 25 72.559 6.652 3.870 1.00 0.00 C ATOM 358 C CYS A 25 71.157 6.511 4.469 1.00 0.00 C ATOM 359 O CYS A 25 70.832 5.493 5.079 1.00 0.00 O ATOM 360 CB CYS A 25 72.619 6.008 2.467 1.00 0.00 C ATOM 361 SG CYS A 25 73.296 4.332 2.599 1.00 0.00 S ATOM 0 H CYS A 25 73.361 5.027 4.929 1.00 0.00 H new ATOM 0 HA CYS A 25 72.788 7.714 3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.622 5.975 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.240 6.611 1.805 1.00 0.00 H new ATOM 0 HG CYS A 25 72.809 3.749 3.654 1.00 0.00 H new ATOM 367 N GLN A 26 70.336 7.547 4.287 1.00 0.00 N ATOM 368 CA GLN A 26 68.964 7.555 4.808 1.00 0.00 C ATOM 369 C GLN A 26 67.970 7.535 3.647 1.00 0.00 C ATOM 370 O GLN A 26 67.955 8.447 2.818 1.00 0.00 O ATOM 371 CB GLN A 26 68.749 8.820 5.645 1.00 0.00 C ATOM 372 CG GLN A 26 69.635 8.775 6.891 1.00 0.00 C ATOM 373 CD GLN A 26 69.465 10.058 7.701 1.00 0.00 C ATOM 374 OE1 GLN A 26 69.739 11.149 7.200 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.030 9.992 8.930 1.00 0.00 N ATOM 0 H GLN A 26 70.596 8.394 3.782 1.00 0.00 H new ATOM 0 HA GLN A 26 68.806 6.673 5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 26 68.985 9.704 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.702 8.901 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.372 7.912 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.679 8.654 6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 26 68.804 9.087 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 26 68.916 10.845 9.477 1.00 0.00 H new ATOM 384 N LEU A 27 67.144 6.483 3.580 1.00 0.00 N ATOM 385 CA LEU A 27 66.156 6.346 2.499 1.00 0.00 C ATOM 386 C LEU A 27 64.738 6.310 3.077 1.00 0.00 C ATOM 387 O LEU A 27 64.461 5.558 4.013 1.00 0.00 O ATOM 388 CB LEU A 27 66.441 5.050 1.723 1.00 0.00 C ATOM 389 CG LEU A 27 65.719 5.049 0.360 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.271 3.896 -0.490 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.192 4.885 0.537 1.00 0.00 C ATOM 0 H LEU A 27 67.139 5.719 4.256 1.00 0.00 H new ATOM 0 HA LEU A 27 66.232 7.201 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.515 4.943 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.116 4.192 2.311 1.00 0.00 H new ATOM 0 HG LEU A 27 65.897 6.003 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.768 3.884 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.342 4.034 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.095 2.950 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 27 63.710 4.888 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 27 63.983 3.942 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.804 5.710 1.135 1.00 0.00 H new ATOM 403 N SER A 28 63.846 7.123 2.508 1.00 0.00 N ATOM 404 CA SER A 28 62.456 7.179 2.967 1.00 0.00 C ATOM 405 C SER A 28 61.617 6.119 2.254 1.00 0.00 C ATOM 406 O SER A 28 61.090 6.360 1.176 1.00 0.00 O ATOM 407 CB SER A 28 61.880 8.575 2.693 1.00 0.00 C ATOM 408 OG SER A 28 60.856 8.856 3.636 1.00 0.00 O ATOM 0 H SER A 28 64.060 7.749 1.732 1.00 0.00 H new ATOM 0 HA SER A 28 62.428 6.980 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.668 9.325 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.480 8.623 1.680 1.00 0.00 H new ATOM 0 HG SER A 28 60.488 9.748 3.464 1.00 0.00 H new ATOM 414 N GLN A 29 61.497 4.956 2.883 1.00 0.00 N ATOM 415 CA GLN A 29 60.731 3.839 2.334 1.00 0.00 C ATOM 416 C GLN A 29 60.779 2.637 3.286 1.00 0.00 C ATOM 417 O GLN A 29 61.638 1.768 3.136 1.00 0.00 O ATOM 418 CB GLN A 29 61.323 3.403 0.985 1.00 0.00 C ATOM 419 CG GLN A 29 60.330 2.496 0.254 1.00 0.00 C ATOM 420 CD GLN A 29 60.991 1.894 -0.980 1.00 0.00 C ATOM 421 OE1 GLN A 29 60.404 1.897 -2.064 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.183 1.374 -0.883 1.00 0.00 N ATOM 0 H GLN A 29 61.927 4.759 3.787 1.00 0.00 H new ATOM 0 HA GLN A 29 59.701 4.171 2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.547 4.278 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.264 2.875 1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 29 59.991 1.702 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.448 3.067 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.667 1.372 0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 29 62.631 0.969 -1.705 1.00 0.00 H new ATOM 431 N PRO A 30 59.882 2.543 4.237 1.00 0.00 N ATOM 432 CA PRO A 30 59.856 1.389 5.177 1.00 0.00 C ATOM 433 C PRO A 30 59.369 0.130 4.455 1.00 0.00 C ATOM 434 O PRO A 30 58.698 -0.724 5.035 1.00 0.00 O ATOM 435 CB PRO A 30 58.898 1.818 6.314 1.00 0.00 C ATOM 436 CG PRO A 30 58.414 3.211 5.973 1.00 0.00 C ATOM 437 CD PRO A 30 58.812 3.504 4.519 1.00 0.00 C ATOM 0 HA PRO A 30 60.842 1.142 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.060 1.126 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.411 1.811 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.333 3.280 6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.858 3.945 6.646 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.969 3.371 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.158 4.531 4.400 1.00 0.00 H new ATOM 445 N GLU A 31 59.725 0.043 3.176 1.00 0.00 N ATOM 446 CA GLU A 31 59.355 -1.078 2.334 1.00 0.00 C ATOM 447 C GLU A 31 60.420 -1.236 1.256 1.00 0.00 C ATOM 448 O GLU A 31 61.181 -0.302 0.998 1.00 0.00 O ATOM 449 CB GLU A 31 57.978 -0.831 1.708 1.00 0.00 C ATOM 450 CG GLU A 31 57.572 -2.039 0.860 1.00 0.00 C ATOM 451 CD GLU A 31 56.143 -1.881 0.359 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.437 -1.043 0.893 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 55.774 -2.606 -0.551 1.00 0.00 O ATOM 0 H GLU A 31 60.280 0.753 2.698 1.00 0.00 H new ATOM 0 HA GLU A 31 59.294 -1.993 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.238 -0.658 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.004 0.067 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.251 -2.142 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.658 -2.951 1.451 1.00 0.00 H new ATOM 460 N VAL A 32 60.482 -2.400 0.615 1.00 0.00 N ATOM 461 CA VAL A 32 61.468 -2.625 -0.440 1.00 0.00 C ATOM 462 C VAL A 32 60.809 -3.301 -1.641 1.00 0.00 C ATOM 463 O VAL A 32 60.184 -4.353 -1.503 1.00 0.00 O ATOM 464 CB VAL A 32 62.620 -3.486 0.108 1.00 0.00 C ATOM 465 CG1 VAL A 32 62.913 -3.087 1.559 1.00 0.00 C ATOM 466 CG2 VAL A 32 62.255 -4.979 0.058 1.00 0.00 C ATOM 0 H VAL A 32 59.870 -3.194 0.804 1.00 0.00 H new ATOM 0 HA VAL A 32 61.872 -1.668 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 32 63.502 -3.318 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 32 63.729 -3.697 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.197 -2.035 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 62.022 -3.245 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 63.083 -5.569 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 32 61.365 -5.156 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.058 -5.271 -0.973 1.00 0.00 H new ATOM 476 N ALA A 33 60.959 -2.700 -2.819 1.00 0.00 N ATOM 477 CA ALA A 33 60.382 -3.262 -4.043 1.00 0.00 C ATOM 478 C ALA A 33 61.484 -3.760 -4.967 1.00 0.00 C ATOM 479 O ALA A 33 61.348 -4.795 -5.618 1.00 0.00 O ATOM 480 CB ALA A 33 59.560 -2.198 -4.772 1.00 0.00 C ATOM 0 H ALA A 33 61.472 -1.829 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 33 59.738 -4.097 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.135 -2.625 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.755 -1.852 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.203 -1.357 -5.033 1.00 0.00 H new ATOM 486 N ALA A 34 62.580 -3.017 -5.013 1.00 0.00 N ATOM 487 CA ALA A 34 63.706 -3.393 -5.854 1.00 0.00 C ATOM 488 C ALA A 34 64.923 -2.549 -5.509 1.00 0.00 C ATOM 489 O ALA A 34 64.849 -1.320 -5.492 1.00 0.00 O ATOM 490 CB ALA A 34 63.343 -3.205 -7.328 1.00 0.00 C ATOM 0 H ALA A 34 62.713 -2.156 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 34 63.942 -4.442 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.191 -3.489 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.486 -3.832 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.092 -2.160 -7.511 1.00 0.00 H new ATOM 496 N HIS A 35 66.046 -3.204 -5.239 1.00 0.00 N ATOM 497 CA HIS A 35 67.268 -2.481 -4.905 1.00 0.00 C ATOM 498 C HIS A 35 68.506 -3.301 -5.253 1.00 0.00 C ATOM 499 O HIS A 35 68.641 -4.453 -4.847 1.00 0.00 O ATOM 500 CB HIS A 35 67.277 -2.114 -3.414 1.00 0.00 C ATOM 501 CG HIS A 35 66.760 -3.258 -2.577 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.426 -3.088 -1.243 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.519 -4.584 -2.854 1.00 0.00 C ATOM 504 CE1 HIS A 35 66.009 -4.277 -0.770 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.045 -5.222 -1.711 1.00 0.00 N ATOM 0 H HIS A 35 66.137 -4.220 -5.244 1.00 0.00 H new ATOM 0 HA HIS A 35 67.291 -1.566 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.290 -1.860 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.662 -1.230 -3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 35 66.674 -5.058 -3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 35 65.685 -4.445 0.246 1.00 0.00 H new ATOM 0 HE2 HIS A 35 65.782 -6.203 -1.614 1.00 0.00 H new ATOM 513 N THR A 36 69.420 -2.685 -6.003 1.00 0.00 N ATOM 514 CA THR A 36 70.662 -3.350 -6.403 1.00 0.00 C ATOM 515 C THR A 36 71.865 -2.559 -5.892 1.00 0.00 C ATOM 516 O THR A 36 71.963 -1.358 -6.119 1.00 0.00 O ATOM 517 CB THR A 36 70.738 -3.450 -7.927 1.00 0.00 C ATOM 518 OG1 THR A 36 69.600 -4.146 -8.419 1.00 0.00 O ATOM 519 CG2 THR A 36 72.009 -4.206 -8.316 1.00 0.00 C ATOM 0 H THR A 36 69.325 -1.729 -6.346 1.00 0.00 H new ATOM 0 HA THR A 36 70.674 -4.352 -5.973 1.00 0.00 H new ATOM 0 HB THR A 36 70.759 -2.449 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.651 -4.207 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.070 -4.281 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.881 -3.670 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.984 -5.206 -7.884 1.00 0.00 H new ATOM 527 N TRP A 37 72.789 -3.248 -5.216 1.00 0.00 N ATOM 528 CA TRP A 37 74.000 -2.601 -4.689 1.00 0.00 C ATOM 529 C TRP A 37 75.232 -3.151 -5.408 1.00 0.00 C ATOM 530 O TRP A 37 75.468 -4.357 -5.405 1.00 0.00 O ATOM 531 CB TRP A 37 74.120 -2.861 -3.175 1.00 0.00 C ATOM 532 CG TRP A 37 75.005 -1.830 -2.531 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.261 -1.512 -2.931 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.727 -0.991 -1.369 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.761 -0.528 -2.102 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.856 -0.173 -1.124 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.616 -0.855 -0.517 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.885 0.743 -0.074 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.640 0.068 0.544 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.772 0.866 0.765 1.00 0.00 C ATOM 0 H TRP A 37 72.725 -4.247 -5.020 1.00 0.00 H new ATOM 0 HA TRP A 37 73.933 -1.527 -4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.131 -2.837 -2.717 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.527 -3.857 -3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.786 -1.957 -3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.688 -0.114 -2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.739 -1.464 -0.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.760 1.354 0.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.782 0.163 1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.785 1.574 1.581 1.00 0.00 H new ATOM 551 N LEU A 38 76.022 -2.260 -6.014 1.00 0.00 N ATOM 552 CA LEU A 38 77.237 -2.680 -6.722 1.00 0.00 C ATOM 553 C LEU A 38 78.347 -1.629 -6.636 1.00 0.00 C ATOM 554 O LEU A 38 78.234 -0.541 -7.203 1.00 0.00 O ATOM 555 CB LEU A 38 76.930 -2.957 -8.204 1.00 0.00 C ATOM 556 CG LEU A 38 76.120 -4.254 -8.367 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.743 -4.425 -9.843 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.953 -5.473 -7.907 1.00 0.00 C ATOM 0 H LEU A 38 75.846 -1.255 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 38 77.584 -3.591 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.373 -2.121 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.862 -3.034 -8.764 1.00 0.00 H new ATOM 0 HG LEU A 38 75.221 -4.192 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.168 -5.343 -9.968 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.143 -3.574 -10.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.649 -4.480 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.365 -6.383 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.859 -5.543 -8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.223 -5.354 -6.858 1.00 0.00 H new ATOM 570 N LEU A 39 79.440 -1.990 -5.961 1.00 0.00 N ATOM 571 CA LEU A 39 80.601 -1.118 -5.836 1.00 0.00 C ATOM 572 C LEU A 39 81.597 -1.663 -6.841 1.00 0.00 C ATOM 573 O LEU A 39 81.332 -1.632 -8.044 1.00 0.00 O ATOM 574 CB LEU A 39 81.159 -1.148 -4.383 1.00 0.00 C ATOM 575 CG LEU A 39 80.725 -2.427 -3.649 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.444 -3.638 -4.247 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.092 -2.322 -2.166 1.00 0.00 C ATOM 0 H LEU A 39 79.542 -2.889 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 39 80.367 -0.072 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.247 -1.090 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.805 -0.274 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 39 79.647 -2.546 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.132 -4.541 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.191 -3.726 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.521 -3.510 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.783 -3.231 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.170 -2.197 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.585 -1.464 -1.726 1.00 0.00 H new ATOM 589 N ASP A 40 82.684 -2.254 -6.377 1.00 0.00 N ATOM 590 CA ASP A 40 83.596 -2.883 -7.293 1.00 0.00 C ATOM 591 C ASP A 40 82.777 -3.918 -8.054 1.00 0.00 C ATOM 592 O ASP A 40 81.628 -4.181 -7.699 1.00 0.00 O ATOM 593 CB ASP A 40 84.779 -3.543 -6.564 1.00 0.00 C ATOM 594 CG ASP A 40 84.292 -4.683 -5.670 1.00 0.00 C ATOM 595 OD1 ASP A 40 83.133 -5.047 -5.774 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.091 -5.176 -4.891 1.00 0.00 O ATOM 0 H ASP A 40 82.946 -2.308 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 40 84.038 -2.147 -7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.494 -3.925 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.303 -2.800 -5.962 1.00 0.00 H new ATOM 601 N ASP A 41 83.326 -4.446 -9.107 1.00 0.00 N ATOM 602 CA ASP A 41 82.597 -5.395 -9.934 1.00 0.00 C ATOM 603 C ASP A 41 82.277 -6.698 -9.194 1.00 0.00 C ATOM 604 O ASP A 41 82.287 -7.769 -9.801 1.00 0.00 O ATOM 605 CB ASP A 41 83.422 -5.713 -11.182 1.00 0.00 C ATOM 606 CG ASP A 41 84.707 -6.438 -10.789 1.00 0.00 C ATOM 607 OD1 ASP A 41 85.023 -6.445 -9.609 1.00 0.00 O ATOM 608 OD2 ASP A 41 85.352 -6.979 -11.670 1.00 0.00 O1- ATOM 0 H ASP A 41 84.274 -4.244 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 41 81.648 -4.932 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.840 -6.332 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.662 -4.792 -11.713 1.00 0.00 H new ATOM 613 N GLU A 42 81.961 -6.616 -7.885 1.00 0.00 N ATOM 614 CA GLU A 42 81.603 -7.823 -7.114 1.00 0.00 C ATOM 615 C GLU A 42 80.352 -7.553 -6.254 1.00 0.00 C ATOM 616 O GLU A 42 80.237 -6.479 -5.666 1.00 0.00 O ATOM 617 CB GLU A 42 82.763 -8.246 -6.195 1.00 0.00 C ATOM 618 CG GLU A 42 83.852 -8.941 -7.017 1.00 0.00 C ATOM 619 CD GLU A 42 85.045 -9.271 -6.126 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.674 -8.344 -5.645 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 85.310 -10.447 -5.938 1.00 0.00 O ATOM 0 H GLU A 42 81.946 -5.748 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 42 81.396 -8.626 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.177 -7.372 -5.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.397 -8.918 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.456 -9.854 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.167 -8.296 -7.838 1.00 0.00 H new ATOM 628 N PRO A 43 79.420 -8.489 -6.144 1.00 0.00 N ATOM 629 CA PRO A 43 78.200 -8.274 -5.309 1.00 0.00 C ATOM 630 C PRO A 43 78.597 -7.972 -3.861 1.00 0.00 C ATOM 631 O PRO A 43 79.596 -8.500 -3.373 1.00 0.00 O ATOM 632 CB PRO A 43 77.395 -9.593 -5.401 1.00 0.00 C ATOM 633 CG PRO A 43 78.157 -10.527 -6.314 1.00 0.00 C ATOM 634 CD PRO A 43 79.430 -9.810 -6.801 1.00 0.00 C ATOM 0 HA PRO A 43 77.610 -7.426 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.273 -10.037 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.395 -9.406 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.418 -11.443 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.537 -10.815 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.324 -10.374 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.431 -9.708 -7.886 1.00 0.00 H new ATOM 642 N VAL A 44 77.838 -7.107 -3.177 1.00 0.00 N ATOM 643 CA VAL A 44 78.189 -6.761 -1.798 1.00 0.00 C ATOM 644 C VAL A 44 77.557 -7.708 -0.788 1.00 0.00 C ATOM 645 O VAL A 44 76.474 -7.462 -0.259 1.00 0.00 O ATOM 646 CB VAL A 44 77.767 -5.327 -1.457 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.564 -4.854 -0.235 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.042 -4.403 -2.643 1.00 0.00 C ATOM 0 H VAL A 44 77.004 -6.648 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 44 79.273 -6.851 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 44 76.700 -5.303 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.272 -3.834 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.357 -5.510 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.630 -4.881 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.739 -3.387 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 44 79.107 -4.417 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.477 -4.746 -3.510 1.00 0.00 H new ATOM 658 N ARG A 45 78.288 -8.761 -0.501 1.00 0.00 N ATOM 659 CA ARG A 45 77.894 -9.754 0.481 1.00 0.00 C ATOM 660 C ARG A 45 79.194 -10.282 1.070 1.00 0.00 C ATOM 661 O ARG A 45 79.737 -9.724 2.011 1.00 0.00 O ATOM 662 CB ARG A 45 77.063 -10.861 -0.196 1.00 0.00 C ATOM 663 CG ARG A 45 76.649 -11.942 0.819 1.00 0.00 C ATOM 664 CD ARG A 45 75.430 -11.478 1.626 1.00 0.00 C ATOM 665 NE ARG A 45 74.332 -11.107 0.736 1.00 0.00 N ATOM 666 CZ ARG A 45 73.377 -10.273 1.135 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.577 -8.984 1.080 1.00 0.00 N ATOM 668 NH2 ARG A 45 72.245 -10.742 1.586 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.184 -8.957 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 45 77.261 -9.343 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.174 -10.425 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.643 -11.315 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.416 -12.870 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 77.479 -12.155 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.108 -12.274 2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 45 75.703 -10.627 2.249 1.00 0.00 H new ATOM 0 HE ARG A 45 74.298 -11.494 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 45 74.464 -8.620 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.846 -8.341 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 45 72.093 -11.749 1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 45 71.513 -10.101 1.892 1.00 0.00 H new ATOM 682 N THR A 46 79.693 -11.337 0.464 1.00 0.00 N ATOM 683 CA THR A 46 80.959 -11.939 0.863 1.00 0.00 C ATOM 684 C THR A 46 80.959 -12.375 2.333 1.00 0.00 C ATOM 685 O THR A 46 80.115 -13.176 2.739 1.00 0.00 O ATOM 686 CB THR A 46 82.101 -10.947 0.584 1.00 0.00 C ATOM 687 OG1 THR A 46 82.212 -10.021 1.657 1.00 0.00 O ATOM 688 CG2 THR A 46 81.808 -10.187 -0.714 1.00 0.00 C ATOM 0 H THR A 46 79.238 -11.806 -0.319 1.00 0.00 H new ATOM 0 HA THR A 46 81.107 -12.844 0.274 1.00 0.00 H new ATOM 0 HB THR A 46 83.037 -11.497 0.487 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.331 -9.885 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.616 -9.483 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.730 -10.894 -1.540 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.869 -9.642 -0.613 1.00 0.00 H new ATOM 696 N SER A 47 81.933 -11.892 3.121 1.00 0.00 N ATOM 697 CA SER A 47 82.054 -12.296 4.532 1.00 0.00 C ATOM 698 C SER A 47 82.146 -11.079 5.462 1.00 0.00 C ATOM 699 O SER A 47 81.641 -10.013 5.151 1.00 0.00 O ATOM 700 CB SER A 47 83.318 -13.154 4.679 1.00 0.00 C ATOM 701 OG SER A 47 84.376 -12.364 5.209 1.00 0.00 O ATOM 0 H SER A 47 82.642 -11.228 2.810 1.00 0.00 H new ATOM 0 HA SER A 47 81.165 -12.860 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 47 83.120 -14.001 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.606 -13.562 3.710 1.00 0.00 H new ATOM 0 HG SER A 47 85.181 -12.915 5.303 1.00 0.00 H new ATOM 707 N GLU A 48 82.769 -11.254 6.625 1.00 0.00 N ATOM 708 CA GLU A 48 82.885 -10.154 7.582 1.00 0.00 C ATOM 709 C GLU A 48 83.725 -9.008 7.004 1.00 0.00 C ATOM 710 O GLU A 48 83.455 -7.839 7.268 1.00 0.00 O ATOM 711 CB GLU A 48 83.524 -10.637 8.894 1.00 0.00 C ATOM 712 CG GLU A 48 82.641 -11.710 9.559 1.00 0.00 C ATOM 713 CD GLU A 48 82.947 -13.090 8.976 1.00 0.00 C ATOM 714 OE1 GLU A 48 83.716 -13.158 8.032 1.00 0.00 O ATOM 715 OE2 GLU A 48 82.412 -14.059 9.488 1.00 0.00 O1- ATOM 0 H GLU A 48 83.195 -12.131 6.925 1.00 0.00 H new ATOM 0 HA GLU A 48 81.878 -9.790 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 48 84.515 -11.045 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 83.657 -9.795 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 48 82.814 -11.717 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 48 81.589 -11.469 9.407 1.00 0.00 H new ATOM 722 N ASN A 49 84.751 -9.353 6.226 1.00 0.00 N ATOM 723 CA ASN A 49 85.632 -8.343 5.629 1.00 0.00 C ATOM 724 C ASN A 49 84.890 -7.509 4.581 1.00 0.00 C ATOM 725 O ASN A 49 85.504 -6.752 3.830 1.00 0.00 O ATOM 726 CB ASN A 49 86.834 -9.021 4.965 1.00 0.00 C ATOM 727 CG ASN A 49 87.584 -9.884 5.974 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.976 -9.404 7.037 1.00 0.00 O ATOM 729 ND2 ASN A 49 87.811 -11.141 5.700 1.00 0.00 N ATOM 0 H ASN A 49 84.993 -10.316 5.994 1.00 0.00 H new ATOM 0 HA ASN A 49 85.970 -7.684 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.497 -9.636 4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.504 -8.266 4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.314 -11.726 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.485 -11.538 4.818 1.00 0.00 H new ATOM 736 N ALA A 50 83.574 -7.663 4.534 1.00 0.00 N ATOM 737 CA ALA A 50 82.740 -6.935 3.577 1.00 0.00 C ATOM 738 C ALA A 50 81.339 -7.529 3.623 1.00 0.00 C ATOM 739 O ALA A 50 81.188 -8.725 3.421 1.00 0.00 O ATOM 740 CB ALA A 50 83.336 -7.059 2.165 1.00 0.00 C ATOM 0 H ALA A 50 83.055 -8.289 5.150 1.00 0.00 H new ATOM 0 HA ALA A 50 82.699 -5.876 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.711 -6.515 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.342 -6.640 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.378 -8.110 1.879 1.00 0.00 H new ATOM 746 N GLU A 51 80.325 -6.688 3.847 1.00 0.00 N ATOM 747 CA GLU A 51 78.933 -7.151 3.894 1.00 0.00 C ATOM 748 C GLU A 51 78.018 -5.984 4.240 1.00 0.00 C ATOM 749 O GLU A 51 78.406 -5.097 5.005 1.00 0.00 O ATOM 750 CB GLU A 51 78.758 -8.257 4.954 1.00 0.00 C ATOM 751 CG GLU A 51 77.293 -8.706 5.012 1.00 0.00 C ATOM 752 CD GLU A 51 77.146 -9.863 5.995 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.105 -10.142 6.697 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.076 -10.447 6.037 1.00 0.00 O1- ATOM 0 H GLU A 51 80.440 -5.686 3.998 1.00 0.00 H new ATOM 0 HA GLU A 51 78.674 -7.555 2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.397 -9.106 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.072 -7.888 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.660 -7.873 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.958 -9.013 4.021 1.00 0.00 H new ATOM 761 N VAL A 52 76.799 -5.979 3.698 1.00 0.00 N ATOM 762 CA VAL A 52 75.846 -4.914 3.985 1.00 0.00 C ATOM 763 C VAL A 52 74.971 -5.328 5.170 1.00 0.00 C ATOM 764 O VAL A 52 74.752 -6.518 5.400 1.00 0.00 O ATOM 765 CB VAL A 52 74.973 -4.661 2.745 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.395 -3.241 2.789 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.834 -4.821 1.488 1.00 0.00 C ATOM 0 H VAL A 52 76.453 -6.697 3.062 1.00 0.00 H new ATOM 0 HA VAL A 52 76.379 -3.997 4.236 1.00 0.00 H new ATOM 0 HB VAL A 52 74.152 -5.377 2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.778 -3.072 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.786 -3.124 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.210 -2.517 2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.223 -4.643 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.653 -4.102 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.240 -5.832 1.451 1.00 0.00 H new ATOM 777 N VAL A 53 74.486 -4.349 5.924 1.00 0.00 N ATOM 778 CA VAL A 53 73.649 -4.623 7.090 1.00 0.00 C ATOM 779 C VAL A 53 72.546 -3.575 7.215 1.00 0.00 C ATOM 780 O VAL A 53 72.729 -2.417 6.840 1.00 0.00 O ATOM 781 CB VAL A 53 74.529 -4.636 8.344 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.450 -3.418 8.324 1.00 0.00 C ATOM 783 CG2 VAL A 53 73.660 -4.597 9.607 1.00 0.00 C ATOM 0 H VAL A 53 74.657 -3.358 5.751 1.00 0.00 H new ATOM 0 HA VAL A 53 73.172 -5.596 6.975 1.00 0.00 H new ATOM 0 HB VAL A 53 75.121 -5.551 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 53 76.079 -3.422 9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 53 76.080 -3.453 7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 53 74.850 -2.508 8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 53 74.300 -4.607 10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 53 73.057 -3.689 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 53 73.004 -5.468 9.625 1.00 0.00 H new ATOM 793 N PHE A 54 71.391 -4.002 7.726 1.00 0.00 N ATOM 794 CA PHE A 54 70.238 -3.109 7.881 1.00 0.00 C ATOM 795 C PHE A 54 70.065 -2.640 9.324 1.00 0.00 C ATOM 796 O PHE A 54 70.291 -3.390 10.274 1.00 0.00 O ATOM 797 CB PHE A 54 68.950 -3.834 7.442 1.00 0.00 C ATOM 798 CG PHE A 54 68.781 -3.746 5.942 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.790 -4.211 5.096 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.617 -3.181 5.402 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.638 -4.117 3.708 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.465 -3.083 4.014 1.00 0.00 C ATOM 803 CZ PHE A 54 68.476 -3.551 3.167 1.00 0.00 C ATOM 0 H PHE A 54 71.227 -4.959 8.040 1.00 0.00 H new ATOM 0 HA PHE A 54 70.422 -2.236 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.991 -4.879 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 54 68.087 -3.389 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 54 70.688 -4.643 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 54 66.837 -2.821 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 54 70.416 -4.481 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.569 -2.647 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 68.360 -3.476 2.096 1.00 0.00 H new ATOM 813 N PHE A 55 69.607 -1.397 9.456 1.00 0.00 N ATOM 814 CA PHE A 55 69.328 -0.796 10.755 1.00 0.00 C ATOM 815 C PHE A 55 68.001 -0.048 10.684 1.00 0.00 C ATOM 816 O PHE A 55 67.679 0.565 9.666 1.00 0.00 O ATOM 817 CB PHE A 55 70.441 0.180 11.154 1.00 0.00 C ATOM 818 CG PHE A 55 71.659 -0.587 11.605 1.00 0.00 C ATOM 819 CD1 PHE A 55 71.752 -1.019 12.933 1.00 0.00 C ATOM 820 CD2 PHE A 55 72.693 -0.860 10.704 1.00 0.00 C ATOM 821 CE1 PHE A 55 72.882 -1.726 13.361 1.00 0.00 C ATOM 822 CE2 PHE A 55 73.823 -1.568 11.132 1.00 0.00 C ATOM 823 CZ PHE A 55 73.916 -2.001 12.461 1.00 0.00 C ATOM 0 H PHE A 55 69.420 -0.780 8.666 1.00 0.00 H new ATOM 0 HA PHE A 55 69.276 -1.587 11.504 1.00 0.00 H new ATOM 0 HB2 PHE A 55 70.696 0.820 10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 55 70.094 0.833 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 55 70.952 -0.807 13.627 1.00 0.00 H new ATOM 0 HD2 PHE A 55 72.620 -0.525 9.680 1.00 0.00 H new ATOM 0 HE1 PHE A 55 72.955 -2.059 14.386 1.00 0.00 H new ATOM 0 HE2 PHE A 55 74.623 -1.780 10.438 1.00 0.00 H new ATOM 0 HZ PHE A 55 74.787 -2.548 12.791 1.00 0.00 H new ATOM 833 N GLU A 56 67.241 -0.100 11.768 1.00 0.00 N ATOM 834 CA GLU A 56 65.956 0.579 11.822 1.00 0.00 C ATOM 835 C GLU A 56 65.083 0.175 10.619 1.00 0.00 C ATOM 836 O GLU A 56 64.323 0.973 10.078 1.00 0.00 O ATOM 837 CB GLU A 56 66.186 2.096 11.878 1.00 0.00 C ATOM 838 CG GLU A 56 64.884 2.828 12.233 1.00 0.00 C ATOM 839 CD GLU A 56 65.182 4.284 12.569 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.345 4.602 12.762 1.00 0.00 O ATOM 841 OE2 GLU A 56 64.244 5.060 12.639 1.00 0.00 O1- ATOM 0 H GLU A 56 67.491 -0.604 12.619 1.00 0.00 H new ATOM 0 HA GLU A 56 65.419 0.281 12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.952 2.326 12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.557 2.449 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.187 2.774 11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.403 2.341 13.081 1.00 0.00 H new ATOM 848 N ASN A 57 65.207 -1.092 10.227 1.00 0.00 N ATOM 849 CA ASN A 57 64.431 -1.650 9.112 1.00 0.00 C ATOM 850 C ASN A 57 64.843 -1.077 7.747 1.00 0.00 C ATOM 851 O ASN A 57 64.002 -0.915 6.863 1.00 0.00 O ATOM 852 CB ASN A 57 62.934 -1.397 9.349 1.00 0.00 C ATOM 853 CG ASN A 57 62.094 -2.308 8.456 1.00 0.00 C ATOM 854 OD1 ASN A 57 62.597 -3.296 7.922 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.830 -2.034 8.272 1.00 0.00 N ATOM 0 H ASN A 57 65.842 -1.759 10.667 1.00 0.00 H new ATOM 0 HA ASN A 57 64.638 -2.720 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 57 62.689 -1.577 10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 57 62.697 -0.354 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.257 -2.640 7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 57 60.416 -1.214 8.716 1.00 0.00 H new ATOM 862 N GLY A 58 66.139 -0.813 7.561 1.00 0.00 N ATOM 863 CA GLY A 58 66.639 -0.308 6.271 1.00 0.00 C ATOM 864 C GLY A 58 66.612 1.207 6.179 1.00 0.00 C ATOM 865 O GLY A 58 67.135 1.788 5.229 1.00 0.00 O ATOM 0 H GLY A 58 66.857 -0.937 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.660 -0.658 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 58 66.037 -0.727 5.465 1.00 0.00 H new ATOM 869 N LEU A 59 66.012 1.845 7.159 1.00 0.00 N ATOM 870 CA LEU A 59 65.936 3.293 7.159 1.00 0.00 C ATOM 871 C LEU A 59 67.346 3.881 7.185 1.00 0.00 C ATOM 872 O LEU A 59 67.562 5.034 6.802 1.00 0.00 O ATOM 873 CB LEU A 59 65.132 3.745 8.378 1.00 0.00 C ATOM 874 CG LEU A 59 64.554 5.156 8.164 1.00 0.00 C ATOM 875 CD1 LEU A 59 63.270 5.085 7.322 1.00 0.00 C ATOM 876 CD2 LEU A 59 64.221 5.780 9.527 1.00 0.00 C ATOM 0 H LEU A 59 65.573 1.392 7.960 1.00 0.00 H new ATOM 0 HA LEU A 59 65.438 3.646 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.322 3.041 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.770 3.739 9.262 1.00 0.00 H new ATOM 0 HG LEU A 59 65.293 5.763 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.873 6.090 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.495 4.642 6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.530 4.472 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.811 6.779 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 59 63.487 5.160 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.128 5.845 10.129 1.00 0.00 H new ATOM 888 N ARG A 60 68.304 3.055 7.615 1.00 0.00 N ATOM 889 CA ARG A 60 69.709 3.460 7.675 1.00 0.00 C ATOM 890 C ARG A 60 70.605 2.311 7.229 1.00 0.00 C ATOM 891 O ARG A 60 71.022 1.486 8.043 1.00 0.00 O ATOM 892 CB ARG A 60 70.097 3.856 9.097 1.00 0.00 C ATOM 893 CG ARG A 60 69.238 5.028 9.566 1.00 0.00 C ATOM 894 CD ARG A 60 69.642 5.395 10.992 1.00 0.00 C ATOM 895 NE ARG A 60 71.010 5.909 11.003 1.00 0.00 N ATOM 896 CZ ARG A 60 71.267 7.198 10.798 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.280 7.678 9.584 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 71.510 7.984 11.811 1.00 0.00 N ATOM 0 H ARG A 60 68.130 2.100 7.927 1.00 0.00 H new ATOM 0 HA ARG A 60 69.840 4.315 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.966 3.007 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 60 71.151 4.130 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.373 5.883 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 60 68.182 4.760 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.959 6.145 11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.568 4.520 11.637 1.00 0.00 H new ATOM 0 HE ARG A 60 71.784 5.266 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 60 71.093 7.064 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.477 8.667 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 60 71.503 7.610 12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 60 71.707 8.972 11.654 1.00 0.00 H new ATOM 912 N HIS A 61 70.876 2.247 5.932 1.00 0.00 N ATOM 913 CA HIS A 61 71.707 1.180 5.387 1.00 0.00 C ATOM 914 C HIS A 61 73.190 1.463 5.642 1.00 0.00 C ATOM 915 O HIS A 61 73.713 2.495 5.214 1.00 0.00 O ATOM 916 CB HIS A 61 71.456 1.054 3.882 1.00 0.00 C ATOM 917 CG HIS A 61 70.031 0.632 3.636 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.105 1.464 3.020 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.359 -0.530 3.917 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.939 0.795 2.954 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.039 -0.426 3.486 1.00 0.00 N ATOM 0 H HIS A 61 70.536 2.916 5.241 1.00 0.00 H new ATOM 0 HA HIS A 61 71.444 0.246 5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.653 2.007 3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.141 0.324 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.789 -1.395 4.400 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.033 1.196 2.524 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.306 -1.131 3.561 1.00 0.00 H new ATOM 929 N LEU A 62 73.867 0.537 6.341 1.00 0.00 N ATOM 930 CA LEU A 62 75.298 0.687 6.646 1.00 0.00 C ATOM 931 C LEU A 62 76.104 -0.390 5.923 1.00 0.00 C ATOM 932 O LEU A 62 75.860 -1.579 6.094 1.00 0.00 O ATOM 933 CB LEU A 62 75.538 0.553 8.168 1.00 0.00 C ATOM 934 CG LEU A 62 75.391 1.908 8.870 1.00 0.00 C ATOM 935 CD1 LEU A 62 74.058 2.558 8.496 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.444 1.694 10.387 1.00 0.00 C ATOM 0 H LEU A 62 73.448 -0.319 6.704 1.00 0.00 H new ATOM 0 HA LEU A 62 75.618 1.674 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.828 -0.158 8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.536 0.153 8.348 1.00 0.00 H new ATOM 0 HG LEU A 62 76.203 2.564 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.967 3.519 9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 62 74.017 2.710 7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.238 1.908 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 62 75.340 2.653 10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.631 1.034 10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.398 1.242 10.658 1.00 0.00 H new ATOM 948 N LEU A 63 77.090 0.039 5.142 1.00 0.00 N ATOM 949 CA LEU A 63 77.960 -0.891 4.418 1.00 0.00 C ATOM 950 C LEU A 63 79.347 -0.825 5.028 1.00 0.00 C ATOM 951 O LEU A 63 80.005 0.214 4.951 1.00 0.00 O ATOM 952 CB LEU A 63 78.027 -0.479 2.947 1.00 0.00 C ATOM 953 CG LEU A 63 78.711 -1.574 2.110 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.480 -1.281 0.618 1.00 0.00 C ATOM 955 CD2 LEU A 63 80.228 -1.631 2.419 1.00 0.00 C ATOM 0 H LEU A 63 77.309 1.024 4.992 1.00 0.00 H new ATOM 0 HA LEU A 63 77.570 -1.906 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.021 -0.299 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.577 0.457 2.850 1.00 0.00 H new ATOM 0 HG LEU A 63 78.281 -2.543 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.962 -2.052 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.410 -1.274 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.904 -0.309 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.693 -2.412 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 63 80.684 -0.670 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 63 80.376 -1.852 3.476 1.00 0.00 H new ATOM 967 N LEU A 64 79.781 -1.896 5.698 1.00 0.00 N ATOM 968 CA LEU A 64 81.071 -1.891 6.381 1.00 0.00 C ATOM 969 C LEU A 64 82.144 -2.678 5.628 1.00 0.00 C ATOM 970 O LEU A 64 81.934 -3.828 5.231 1.00 0.00 O ATOM 971 CB LEU A 64 80.853 -2.512 7.767 1.00 0.00 C ATOM 972 CG LEU A 64 82.171 -2.644 8.542 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.855 -1.280 8.652 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.866 -3.173 9.953 1.00 0.00 C ATOM 0 H LEU A 64 79.261 -2.769 5.780 1.00 0.00 H new ATOM 0 HA LEU A 64 81.432 -0.864 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.156 -1.897 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.395 -3.495 7.658 1.00 0.00 H new ATOM 0 HG LEU A 64 82.833 -3.332 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.789 -1.385 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 83.064 -0.896 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.199 -0.586 9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.796 -3.271 10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.204 -2.477 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.382 -4.147 9.880 1.00 0.00 H new ATOM 986 N LEU A 65 83.313 -2.050 5.476 1.00 0.00 N ATOM 987 CA LEU A 65 84.458 -2.675 4.819 1.00 0.00 C ATOM 988 C LEU A 65 85.506 -3.006 5.873 1.00 0.00 C ATOM 989 O LEU A 65 85.377 -2.605 7.031 1.00 0.00 O ATOM 990 CB LEU A 65 85.060 -1.748 3.755 1.00 0.00 C ATOM 991 CG LEU A 65 83.992 -1.386 2.709 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.591 -0.435 1.659 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.482 -2.664 2.014 1.00 0.00 C ATOM 0 H LEU A 65 83.489 -1.100 5.803 1.00 0.00 H new ATOM 0 HA LEU A 65 84.127 -3.585 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.443 -0.842 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.905 -2.237 3.270 1.00 0.00 H new ATOM 0 HG LEU A 65 83.159 -0.893 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.830 -0.182 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.938 0.475 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.430 -0.923 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.726 -2.399 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.314 -3.166 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.045 -3.332 2.756 1.00 0.00 H new ATOM 1005 N LYS A 66 86.555 -3.702 5.461 1.00 0.00 N ATOM 1006 CA LYS A 66 87.634 -4.061 6.370 1.00 0.00 C ATOM 1007 C LYS A 66 88.864 -4.453 5.547 1.00 0.00 C ATOM 1008 O LYS A 66 88.806 -4.467 4.316 1.00 0.00 O ATOM 1009 CB LYS A 66 87.181 -5.229 7.288 1.00 0.00 C ATOM 1010 CG LYS A 66 87.400 -4.865 8.769 1.00 0.00 C ATOM 1011 CD LYS A 66 86.839 -5.966 9.688 1.00 0.00 C ATOM 1012 CE LYS A 66 85.307 -5.907 9.748 1.00 0.00 C ATOM 1013 NZ LYS A 66 84.832 -6.739 10.893 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.682 -4.030 4.503 1.00 0.00 H new ATOM 0 HA LYS A 66 87.889 -3.213 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.128 -5.450 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.741 -6.131 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 66 88.464 -4.730 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 66 86.913 -3.916 8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.154 -6.944 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.250 -5.851 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.975 -4.876 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.879 -6.273 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 83.794 -6.704 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.139 -7.723 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.232 -6.370 11.779 1.00 0.00 H new ATOM 1027 N ASN A 67 89.957 -4.805 6.226 1.00 0.00 N ATOM 1028 CA ASN A 67 91.174 -5.234 5.529 1.00 0.00 C ATOM 1029 C ASN A 67 91.394 -4.413 4.264 1.00 0.00 C ATOM 1030 O ASN A 67 91.764 -4.948 3.219 1.00 0.00 O ATOM 1031 CB ASN A 67 91.043 -6.708 5.152 1.00 0.00 C ATOM 1032 CG ASN A 67 91.134 -7.586 6.397 1.00 0.00 C ATOM 1033 OD1 ASN A 67 90.529 -8.657 6.443 1.00 0.00 O ATOM 1034 ND2 ASN A 67 91.855 -7.200 7.416 1.00 0.00 N ATOM 0 H ASN A 67 90.027 -4.803 7.244 1.00 0.00 H new ATOM 0 HA ASN A 67 92.025 -5.086 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.091 -6.878 4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.829 -6.981 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 67 91.916 -7.786 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.357 -6.313 7.379 1.00 0.00 H new ATOM 1041 N LEU A 68 91.137 -3.123 4.360 1.00 0.00 N ATOM 1042 CA LEU A 68 91.276 -2.241 3.214 1.00 0.00 C ATOM 1043 C LEU A 68 92.712 -2.195 2.719 1.00 0.00 C ATOM 1044 O LEU A 68 93.658 -2.348 3.489 1.00 0.00 O ATOM 1045 CB LEU A 68 90.818 -0.838 3.601 1.00 0.00 C ATOM 1046 CG LEU A 68 89.309 -0.858 3.876 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.891 0.477 4.497 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.523 -1.106 2.568 1.00 0.00 C ATOM 0 H LEU A 68 90.831 -2.662 5.217 1.00 0.00 H new ATOM 0 HA LEU A 68 90.656 -2.628 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.356 -0.498 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 68 91.044 -0.135 2.800 1.00 0.00 H new ATOM 0 HG LEU A 68 89.083 -1.669 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.819 0.467 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.430 0.628 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 89.126 1.288 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.454 -1.117 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.742 -0.311 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.818 -2.065 2.143 1.00 0.00 H new ATOM 1060 N ARG A 69 92.860 -1.959 1.420 1.00 0.00 N ATOM 1061 CA ARG A 69 94.176 -1.857 0.794 1.00 0.00 C ATOM 1062 C ARG A 69 94.132 -0.690 -0.191 1.00 0.00 C ATOM 1063 O ARG A 69 93.081 -0.074 -0.371 1.00 0.00 O ATOM 1064 CB ARG A 69 94.543 -3.175 0.057 1.00 0.00 C ATOM 1065 CG ARG A 69 93.580 -4.296 0.456 1.00 0.00 C ATOM 1066 CD ARG A 69 94.057 -5.617 -0.151 1.00 0.00 C ATOM 1067 NE ARG A 69 93.049 -6.653 0.030 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.280 -7.906 -0.345 1.00 0.00 C ATOM 1069 NH1 ARG A 69 93.855 -8.738 0.480 1.00 0.00 N ATOM 1070 NH2 ARG A 69 92.935 -8.305 -1.539 1.00 0.00 N1+ ATOM 0 H ARG A 69 92.080 -1.834 0.775 1.00 0.00 H new ATOM 0 HA ARG A 69 94.939 -1.687 1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.503 -3.019 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.566 -3.462 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.531 -4.379 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.573 -4.066 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.263 -5.483 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.991 -5.924 0.319 1.00 0.00 H new ATOM 0 HE ARG A 69 92.152 -6.412 0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 69 94.127 -8.426 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 69 94.033 -9.700 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 69 92.488 -7.654 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 69 93.113 -9.267 -1.826 1.00 0.00 H new ATOM 1084 N PRO A 70 95.217 -0.378 -0.845 1.00 0.00 N ATOM 1085 CA PRO A 70 95.224 0.732 -1.829 1.00 0.00 C ATOM 1086 C PRO A 70 94.400 0.353 -3.059 1.00 0.00 C ATOM 1087 O PRO A 70 93.565 1.125 -3.526 1.00 0.00 O ATOM 1088 CB PRO A 70 96.716 0.963 -2.162 1.00 0.00 C ATOM 1089 CG PRO A 70 97.507 -0.023 -1.331 1.00 0.00 C ATOM 1090 CD PRO A 70 96.522 -1.037 -0.733 1.00 0.00 C ATOM 0 HA PRO A 70 94.770 1.645 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.903 0.810 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 70 97.010 1.987 -1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.250 -0.531 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.049 0.494 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.540 -1.980 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.766 -1.265 0.305 1.00 0.00 H new ATOM 1098 N GLN A 71 94.660 -0.841 -3.574 1.00 0.00 N ATOM 1099 CA GLN A 71 93.955 -1.324 -4.754 1.00 0.00 C ATOM 1100 C GLN A 71 92.447 -1.249 -4.548 1.00 0.00 C ATOM 1101 O GLN A 71 91.718 -0.782 -5.421 1.00 0.00 O ATOM 1102 CB GLN A 71 94.338 -2.778 -5.031 1.00 0.00 C ATOM 1103 CG GLN A 71 93.616 -3.269 -6.292 1.00 0.00 C ATOM 1104 CD GLN A 71 94.107 -4.666 -6.655 1.00 0.00 C ATOM 1105 OE1 GLN A 71 95.187 -5.073 -6.229 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.368 -5.430 -7.411 1.00 0.00 N ATOM 0 H GLN A 71 95.350 -1.490 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 71 94.237 -0.694 -5.598 1.00 0.00 H new ATOM 0 HB2 GLN A 71 95.417 -2.862 -5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 71 94.070 -3.404 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.539 -3.284 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.800 -2.582 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.473 -5.088 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.685 -6.369 -7.651 1.00 0.00 H new ATOM 1115 N ASP A 72 91.975 -1.751 -3.412 1.00 0.00 N ATOM 1116 CA ASP A 72 90.546 -1.779 -3.126 1.00 0.00 C ATOM 1117 C ASP A 72 89.881 -0.422 -3.358 1.00 0.00 C ATOM 1118 O ASP A 72 88.739 -0.379 -3.811 1.00 0.00 O ATOM 1119 CB ASP A 72 90.325 -2.225 -1.666 1.00 0.00 C ATOM 1120 CG ASP A 72 90.315 -3.755 -1.546 1.00 0.00 C ATOM 1121 OD1 ASP A 72 90.366 -4.420 -2.567 1.00 0.00 O ATOM 1122 OD2 ASP A 72 90.254 -4.234 -0.426 1.00 0.00 O1- ATOM 0 H ASP A 72 92.561 -2.144 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 72 90.084 -2.488 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 72 91.113 -1.814 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.380 -1.823 -1.300 1.00 0.00 H new ATOM 1127 N SER A 73 90.552 0.686 -3.045 1.00 0.00 N ATOM 1128 CA SER A 73 89.928 1.990 -3.242 1.00 0.00 C ATOM 1129 C SER A 73 89.315 2.088 -4.633 1.00 0.00 C ATOM 1130 O SER A 73 89.963 1.755 -5.626 1.00 0.00 O ATOM 1131 CB SER A 73 90.977 3.094 -3.065 1.00 0.00 C ATOM 1132 OG SER A 73 91.211 3.301 -1.680 1.00 0.00 O ATOM 0 H SER A 73 91.499 0.708 -2.666 1.00 0.00 H new ATOM 0 HA SER A 73 89.136 2.112 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.904 2.814 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.632 4.018 -3.529 1.00 0.00 H new ATOM 0 HG SER A 73 92.106 2.976 -1.447 1.00 0.00 H new ATOM 1138 N CYS A 74 88.062 2.540 -4.701 1.00 0.00 N ATOM 1139 CA CYS A 74 87.387 2.660 -5.992 1.00 0.00 C ATOM 1140 C CYS A 74 86.036 3.376 -5.883 1.00 0.00 C ATOM 1141 O CYS A 74 85.855 4.280 -5.069 1.00 0.00 O ATOM 1142 CB CYS A 74 87.174 1.269 -6.589 1.00 0.00 C ATOM 1143 SG CYS A 74 85.835 0.435 -5.705 1.00 0.00 S ATOM 0 H CYS A 74 87.504 2.823 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 74 88.027 3.261 -6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.931 1.349 -7.648 1.00 0.00 H new ATOM 0 HB3 CYS A 74 88.092 0.685 -6.516 1.00 0.00 H new ATOM 0 HG CYS A 74 85.507 -0.652 -6.339 1.00 0.00 H new ATOM 1149 N ARG A 75 85.100 2.976 -6.753 1.00 0.00 N ATOM 1150 CA ARG A 75 83.765 3.587 -6.807 1.00 0.00 C ATOM 1151 C ARG A 75 82.721 2.787 -6.028 1.00 0.00 C ATOM 1152 O ARG A 75 82.687 1.558 -6.087 1.00 0.00 O ATOM 1153 CB ARG A 75 83.310 3.680 -8.274 1.00 0.00 C ATOM 1154 CG ARG A 75 81.862 4.201 -8.362 1.00 0.00 C ATOM 1155 CD ARG A 75 81.433 4.304 -9.823 1.00 0.00 C ATOM 1156 NE ARG A 75 80.064 4.808 -9.906 1.00 0.00 N ATOM 1157 CZ ARG A 75 79.492 5.087 -11.077 1.00 0.00 C ATOM 1158 NH1 ARG A 75 79.447 4.184 -12.018 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 78.964 6.267 -11.281 1.00 0.00 N ATOM 0 H ARG A 75 85.243 2.229 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 75 83.844 4.573 -6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.975 4.345 -8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.378 2.699 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.192 3.530 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.788 5.177 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 75 82.108 4.968 -10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.499 3.326 -10.300 1.00 0.00 H new ATOM 0 HE ARG A 75 79.533 4.950 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 75 79.850 3.261 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 79.008 4.401 -12.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 78.991 6.972 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 75 78.526 6.482 -12.177 1.00 0.00 H new ATOM 1173 N VAL A 76 81.826 3.515 -5.345 1.00 0.00 N ATOM 1174 CA VAL A 76 80.723 2.894 -4.606 1.00 0.00 C ATOM 1175 C VAL A 76 79.408 3.414 -5.168 1.00 0.00 C ATOM 1176 O VAL A 76 79.196 4.624 -5.238 1.00 0.00 O ATOM 1177 CB VAL A 76 80.797 3.239 -3.118 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.701 2.480 -2.360 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.168 2.845 -2.571 1.00 0.00 C ATOM 0 H VAL A 76 81.846 4.533 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 76 80.792 1.812 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 76 80.650 4.311 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.755 2.727 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.724 2.766 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.844 1.407 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.221 3.091 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.318 1.774 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.944 3.389 -3.109 1.00 0.00 H new ATOM 1189 N THR A 77 78.526 2.503 -5.578 1.00 0.00 N ATOM 1190 CA THR A 77 77.235 2.901 -6.146 1.00 0.00 C ATOM 1191 C THR A 77 76.094 2.078 -5.561 1.00 0.00 C ATOM 1192 O THR A 77 76.174 0.854 -5.458 1.00 0.00 O ATOM 1193 CB THR A 77 77.256 2.733 -7.666 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.278 3.553 -8.216 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.901 3.146 -8.244 1.00 0.00 C ATOM 0 H THR A 77 78.677 1.495 -5.529 1.00 0.00 H new ATOM 0 HA THR A 77 77.069 3.948 -5.893 1.00 0.00 H new ATOM 0 HB THR A 77 77.452 1.690 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.070 3.007 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.916 3.026 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.118 2.517 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.703 4.189 -7.997 1.00 0.00 H new ATOM 1203 N PHE A 78 75.022 2.776 -5.209 1.00 0.00 N ATOM 1204 CA PHE A 78 73.818 2.156 -4.661 1.00 0.00 C ATOM 1205 C PHE A 78 72.620 2.679 -5.443 1.00 0.00 C ATOM 1206 O PHE A 78 72.355 3.880 -5.446 1.00 0.00 O ATOM 1207 CB PHE A 78 73.689 2.511 -3.175 1.00 0.00 C ATOM 1208 CG PHE A 78 72.418 1.924 -2.588 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.195 0.539 -2.624 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.466 2.769 -1.994 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.023 0.004 -2.071 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.300 2.230 -1.440 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.076 0.849 -1.480 1.00 0.00 C ATOM 0 H PHE A 78 74.961 3.791 -5.295 1.00 0.00 H new ATOM 0 HA PHE A 78 73.868 1.071 -4.749 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.554 2.134 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.684 3.594 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.926 -0.114 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.634 3.835 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.850 -1.062 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.571 2.881 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.173 0.435 -1.055 1.00 0.00 H new ATOM 1223 N LEU A 79 71.921 1.783 -6.136 1.00 0.00 N ATOM 1224 CA LEU A 79 70.775 2.182 -6.959 1.00 0.00 C ATOM 1225 C LEU A 79 69.461 1.667 -6.381 1.00 0.00 C ATOM 1226 O LEU A 79 69.077 0.521 -6.608 1.00 0.00 O ATOM 1227 CB LEU A 79 70.969 1.613 -8.369 1.00 0.00 C ATOM 1228 CG LEU A 79 70.053 2.323 -9.383 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.516 1.965 -10.799 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.585 1.888 -9.188 1.00 0.00 C ATOM 0 H LEU A 79 72.123 0.783 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 79 70.723 3.271 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.010 1.728 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.754 0.544 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 79 70.113 3.400 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.875 2.462 -11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.546 2.293 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.456 0.886 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 79 67.954 2.401 -9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.502 0.811 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.260 2.145 -8.180 1.00 0.00 H new ATOM 1242 N ALA A 80 68.769 2.534 -5.641 1.00 0.00 N ATOM 1243 CA ALA A 80 67.482 2.178 -5.036 1.00 0.00 C ATOM 1244 C ALA A 80 66.344 2.870 -5.775 1.00 0.00 C ATOM 1245 O ALA A 80 65.953 3.985 -5.430 1.00 0.00 O ATOM 1246 CB ALA A 80 67.456 2.592 -3.565 1.00 0.00 C ATOM 0 H ALA A 80 69.076 3.487 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 80 67.355 1.098 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.495 2.322 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.255 2.080 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.600 3.670 -3.488 1.00 0.00 H new ATOM 1252 N GLY A 81 65.809 2.193 -6.782 1.00 0.00 N ATOM 1253 CA GLY A 81 64.708 2.742 -7.561 1.00 0.00 C ATOM 1254 C GLY A 81 65.017 4.159 -8.035 1.00 0.00 C ATOM 1255 O GLY A 81 66.172 4.503 -8.276 1.00 0.00 O ATOM 0 H GLY A 81 66.118 1.267 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.514 2.102 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.800 2.748 -6.958 1.00 0.00 H new ATOM 1259 N ASP A 82 63.957 4.950 -8.210 1.00 0.00 N ATOM 1260 CA ASP A 82 64.045 6.332 -8.701 1.00 0.00 C ATOM 1261 C ASP A 82 65.177 7.161 -8.069 1.00 0.00 C ATOM 1262 O ASP A 82 65.311 8.343 -8.386 1.00 0.00 O ATOM 1263 CB ASP A 82 62.720 7.041 -8.399 1.00 0.00 C ATOM 1264 CG ASP A 82 61.588 6.436 -9.224 1.00 0.00 C ATOM 1265 OD1 ASP A 82 61.871 5.601 -10.067 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 60.449 6.810 -8.990 1.00 0.00 O ATOM 0 H ASP A 82 63.002 4.649 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 82 64.259 6.263 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.489 6.956 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.811 8.104 -8.621 1.00 0.00 H new ATOM 1271 N MET A 83 65.977 6.571 -7.182 1.00 0.00 N ATOM 1272 CA MET A 83 67.071 7.308 -6.530 1.00 0.00 C ATOM 1273 C MET A 83 68.422 6.650 -6.774 1.00 0.00 C ATOM 1274 O MET A 83 68.581 5.443 -6.588 1.00 0.00 O ATOM 1275 CB MET A 83 66.821 7.379 -5.021 1.00 0.00 C ATOM 1276 CG MET A 83 65.437 8.009 -4.741 1.00 0.00 C ATOM 1277 SD MET A 83 64.232 6.703 -4.385 1.00 0.00 S ATOM 1278 CE MET A 83 64.529 6.593 -2.602 1.00 0.00 C ATOM 0 H MET A 83 65.894 5.595 -6.897 1.00 0.00 H new ATOM 0 HA MET A 83 67.093 8.309 -6.961 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.868 6.379 -4.589 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.602 7.970 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.503 8.696 -3.897 1.00 0.00 H new ATOM 0 HG3 MET A 83 65.111 8.593 -5.602 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.562 5.545 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.479 7.069 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 83 63.725 7.098 -2.067 1.00 0.00 H new ATOM 1288 N VAL A 84 69.398 7.460 -7.184 1.00 0.00 N ATOM 1289 CA VAL A 84 70.747 6.966 -7.447 1.00 0.00 C ATOM 1290 C VAL A 84 71.766 7.786 -6.656 1.00 0.00 C ATOM 1291 O VAL A 84 71.815 9.011 -6.756 1.00 0.00 O ATOM 1292 CB VAL A 84 71.044 7.064 -8.950 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.700 8.468 -9.461 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.524 6.769 -9.208 1.00 0.00 C ATOM 0 H VAL A 84 69.278 8.461 -7.341 1.00 0.00 H new ATOM 0 HA VAL A 84 70.818 5.924 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 84 70.435 6.332 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.914 8.529 -10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.642 8.668 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.299 9.206 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.728 6.840 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.138 7.493 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.761 5.764 -8.859 1.00 0.00 H new ATOM 1304 N THR A 85 72.569 7.097 -5.852 1.00 0.00 N ATOM 1305 CA THR A 85 73.585 7.748 -5.024 1.00 0.00 C ATOM 1306 C THR A 85 74.946 7.123 -5.325 1.00 0.00 C ATOM 1307 O THR A 85 75.031 5.927 -5.579 1.00 0.00 O ATOM 1308 CB THR A 85 73.235 7.536 -3.543 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.796 6.308 -3.111 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.714 7.477 -3.367 1.00 0.00 C ATOM 0 H THR A 85 72.537 6.082 -5.754 1.00 0.00 H new ATOM 0 HA THR A 85 73.618 8.816 -5.240 1.00 0.00 H new ATOM 0 HB THR A 85 73.633 8.363 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.336 6.005 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.475 7.326 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.272 8.412 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.312 6.650 -3.952 1.00 0.00 H new ATOM 1318 N SER A 86 76.007 7.925 -5.305 1.00 0.00 N ATOM 1319 CA SER A 86 77.347 7.397 -5.583 1.00 0.00 C ATOM 1320 C SER A 86 78.430 8.345 -5.071 1.00 0.00 C ATOM 1321 O SER A 86 78.300 9.564 -5.188 1.00 0.00 O ATOM 1322 CB SER A 86 77.516 7.187 -7.088 1.00 0.00 C ATOM 1323 OG SER A 86 77.105 8.361 -7.776 1.00 0.00 O ATOM 0 H SER A 86 75.972 8.924 -5.104 1.00 0.00 H new ATOM 0 HA SER A 86 77.453 6.445 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.557 6.961 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 86 76.923 6.333 -7.416 1.00 0.00 H new ATOM 0 HG SER A 86 77.214 8.230 -8.741 1.00 0.00 H new ATOM 1329 N ALA A 87 79.498 7.785 -4.490 1.00 0.00 N ATOM 1330 CA ALA A 87 80.589 8.610 -3.953 1.00 0.00 C ATOM 1331 C ALA A 87 81.934 7.886 -4.049 1.00 0.00 C ATOM 1332 O ALA A 87 81.989 6.665 -4.202 1.00 0.00 O ATOM 1333 CB ALA A 87 80.305 8.974 -2.494 1.00 0.00 C ATOM 0 H ALA A 87 79.630 6.780 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 87 80.645 9.519 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.120 9.585 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.371 9.533 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.221 8.063 -1.901 1.00 0.00 H new ATOM 1339 N PHE A 88 83.016 8.661 -3.983 1.00 0.00 N ATOM 1340 CA PHE A 88 84.370 8.111 -4.090 1.00 0.00 C ATOM 1341 C PHE A 88 84.830 7.440 -2.792 1.00 0.00 C ATOM 1342 O PHE A 88 84.319 7.724 -1.706 1.00 0.00 O ATOM 1343 CB PHE A 88 85.365 9.225 -4.419 1.00 0.00 C ATOM 1344 CG PHE A 88 84.889 10.015 -5.618 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.815 9.406 -6.875 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.526 11.359 -5.469 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.374 10.144 -7.981 1.00 0.00 C ATOM 1348 CE2 PHE A 88 84.089 12.095 -6.569 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.012 11.489 -7.829 1.00 0.00 C ATOM 0 H PHE A 88 82.983 9.673 -3.856 1.00 0.00 H new ATOM 0 HA PHE A 88 84.340 7.363 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.478 9.887 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.347 8.797 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.097 8.370 -6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.585 11.827 -4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.313 9.676 -8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.810 13.132 -6.450 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.674 12.058 -8.683 1.00 0.00 H new ATOM 1359 N LEU A 89 85.834 6.572 -2.934 1.00 0.00 N ATOM 1360 CA LEU A 89 86.442 5.856 -1.805 1.00 0.00 C ATOM 1361 C LEU A 89 87.963 5.977 -1.923 1.00 0.00 C ATOM 1362 O LEU A 89 88.500 5.976 -3.031 1.00 0.00 O ATOM 1363 CB LEU A 89 86.012 4.379 -1.826 1.00 0.00 C ATOM 1364 CG LEU A 89 86.752 3.567 -0.748 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.415 4.105 0.654 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.316 2.099 -0.855 1.00 0.00 C ATOM 0 H LEU A 89 86.251 6.344 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 89 86.112 6.288 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 89 84.937 4.309 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.214 3.953 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 89 87.828 3.654 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.946 3.520 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.719 5.149 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.341 4.027 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.832 1.510 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.240 2.027 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.566 1.716 -1.844 1.00 0.00 H new ATOM 1378 N THR A 90 88.658 6.089 -0.793 1.00 0.00 N ATOM 1379 CA THR A 90 90.117 6.217 -0.820 1.00 0.00 C ATOM 1380 C THR A 90 90.739 5.687 0.472 1.00 0.00 C ATOM 1381 O THR A 90 90.230 5.932 1.565 1.00 0.00 O ATOM 1382 CB THR A 90 90.500 7.691 -1.019 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.912 8.172 -2.220 1.00 0.00 O ATOM 1384 CG2 THR A 90 92.022 7.828 -1.111 1.00 0.00 C ATOM 0 H THR A 90 88.245 6.094 0.140 1.00 0.00 H new ATOM 0 HA THR A 90 90.501 5.623 -1.649 1.00 0.00 H new ATOM 0 HB THR A 90 90.138 8.272 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 90 90.154 9.113 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.285 8.876 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.477 7.460 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.389 7.245 -1.955 1.00 0.00 H new ATOM 1392 N VAL A 91 91.861 4.969 0.339 1.00 0.00 N ATOM 1393 CA VAL A 91 92.563 4.417 1.506 1.00 0.00 C ATOM 1394 C VAL A 91 94.032 4.826 1.437 1.00 0.00 C ATOM 1395 O VAL A 91 94.730 4.507 0.474 1.00 0.00 O ATOM 1396 CB VAL A 91 92.474 2.882 1.509 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.008 2.337 2.838 1.00 0.00 C ATOM 1398 CG2 VAL A 91 91.019 2.430 1.323 1.00 0.00 C ATOM 0 H VAL A 91 92.300 4.757 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 91 92.100 4.802 2.415 1.00 0.00 H new ATOM 0 HB VAL A 91 93.074 2.496 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.944 1.249 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.048 2.639 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.413 2.735 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.973 1.341 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.409 2.822 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.640 2.805 0.372 1.00 0.00 H new ATOM 1408 N ARG A 92 94.481 5.572 2.443 1.00 0.00 N ATOM 1409 CA ARG A 92 95.855 6.070 2.465 1.00 0.00 C ATOM 1410 C ARG A 92 96.838 5.049 3.027 1.00 0.00 C ATOM 1411 O ARG A 92 96.700 4.592 4.160 1.00 0.00 O ATOM 1412 CB ARG A 92 95.924 7.339 3.316 1.00 0.00 C ATOM 1413 CG ARG A 92 95.071 8.438 2.681 1.00 0.00 C ATOM 1414 CD ARG A 92 95.091 9.670 3.584 1.00 0.00 C ATOM 1415 NE ARG A 92 96.435 10.234 3.638 1.00 0.00 N ATOM 1416 CZ ARG A 92 96.735 11.205 4.492 1.00 0.00 C ATOM 1417 NH1 ARG A 92 96.960 10.923 5.747 1.00 0.00 N ATOM 1418 NH2 ARG A 92 96.804 12.442 4.080 1.00 0.00 N1+ ATOM 0 H ARG A 92 93.918 5.844 3.249 1.00 0.00 H new ATOM 0 HA ARG A 92 96.139 6.275 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 92 95.571 7.130 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.958 7.673 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 92 95.456 8.690 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 92 94.048 8.088 2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 92 94.391 10.416 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 92 94.762 9.400 4.587 1.00 0.00 H new ATOM 0 HE ARG A 92 97.155 9.877 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 92 96.905 9.957 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.191 11.669 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 92 96.627 12.664 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 92 97.035 13.187 4.738 1.00 0.00 H new ATOM 1432 N GLY A 93 97.843 4.710 2.217 1.00 0.00 N ATOM 1433 CA GLY A 93 98.870 3.752 2.624 1.00 0.00 C ATOM 1434 C GLY A 93 100.214 4.088 1.981 1.00 0.00 C ATOM 1435 O GLY A 93 100.315 4.234 0.762 1.00 0.00 O ATOM 0 H GLY A 93 97.967 5.085 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.970 3.759 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.567 2.745 2.338 1.00 0.00 H new ATOM 1439 N GLY A 94 101.247 4.206 2.814 1.00 0.00 N ATOM 1440 CA GLY A 94 102.590 4.522 2.331 1.00 0.00 C ATOM 1441 C GLY A 94 103.638 4.112 3.364 1.00 0.00 C ATOM 1442 O GLY A 94 104.034 2.948 3.429 1.00 0.00 O ATOM 0 H GLY A 94 101.180 4.088 3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.776 4.004 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 94 102.668 5.590 2.128 1.00 0.00 H new ATOM 1446 N LEU A 95 104.080 5.072 4.177 1.00 0.00 N ATOM 1447 CA LEU A 95 105.077 4.786 5.208 1.00 0.00 C ATOM 1448 C LEU A 95 104.388 4.191 6.439 1.00 0.00 C ATOM 1449 O LEU A 95 103.355 4.693 6.884 1.00 0.00 O ATOM 1450 CB LEU A 95 105.822 6.079 5.599 1.00 0.00 C ATOM 1451 CG LEU A 95 106.940 6.380 4.586 1.00 0.00 C ATOM 1452 CD1 LEU A 95 106.335 6.708 3.219 1.00 0.00 C ATOM 1453 CD2 LEU A 95 107.756 7.580 5.074 1.00 0.00 C ATOM 0 H LEU A 95 103.768 6.043 4.143 1.00 0.00 H new ATOM 0 HA LEU A 95 105.798 4.069 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.121 6.913 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.246 5.974 6.598 1.00 0.00 H new ATOM 0 HG LEU A 95 107.583 5.504 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 95 107.134 6.920 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 95 105.751 5.858 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 95 105.688 7.581 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.549 7.796 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 95 107.105 8.449 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 95 108.196 7.350 6.045 1.00 0.00 H new ATOM 1465 N GLU A 96 104.961 3.117 6.978 1.00 0.00 N ATOM 1466 CA GLU A 96 104.386 2.459 8.149 1.00 0.00 C ATOM 1467 C GLU A 96 104.691 3.250 9.416 1.00 0.00 C ATOM 1468 O GLU A 96 103.868 3.315 10.330 1.00 0.00 O ATOM 1469 CB GLU A 96 104.959 1.045 8.289 1.00 0.00 C ATOM 1470 CG GLU A 96 104.556 0.197 7.079 1.00 0.00 C ATOM 1471 CD GLU A 96 103.048 -0.031 7.070 1.00 0.00 C ATOM 1472 OE1 GLU A 96 102.442 0.098 8.121 1.00 0.00 O ATOM 1473 OE2 GLU A 96 102.519 -0.332 6.012 1.00 0.00 O1- ATOM 0 H GLU A 96 105.816 2.687 6.626 1.00 0.00 H new ATOM 0 HA GLU A 96 103.306 2.407 8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 96 106.045 1.090 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 96 104.592 0.584 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 96 104.861 0.696 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 96 105.075 -0.761 7.109 1.00 0.00 H new ATOM 1480 N HIS A 97 105.882 3.849 9.467 1.00 0.00 N ATOM 1481 CA HIS A 97 106.298 4.642 10.630 1.00 0.00 C ATOM 1482 C HIS A 97 106.616 6.072 10.210 1.00 0.00 C ATOM 1483 O HIS A 97 107.714 6.361 9.734 1.00 0.00 O ATOM 1484 CB HIS A 97 107.532 4.003 11.270 1.00 0.00 C ATOM 1485 CG HIS A 97 107.187 2.618 11.743 1.00 0.00 C ATOM 1486 ND1 HIS A 97 106.509 2.391 12.929 1.00 0.00 N ATOM 1487 CD2 HIS A 97 107.413 1.379 11.196 1.00 0.00 C ATOM 1488 CE1 HIS A 97 106.350 1.062 13.058 1.00 0.00 C ATOM 1489 NE2 HIS A 97 106.883 0.397 12.028 1.00 0.00 N ATOM 0 H HIS A 97 106.575 3.802 8.720 1.00 0.00 H new ATOM 0 HA HIS A 97 105.483 4.664 11.353 1.00 0.00 H new ATOM 0 HB2 HIS A 97 108.349 3.960 10.549 1.00 0.00 H new ATOM 0 HB3 HIS A 97 107.877 4.610 12.107 1.00 0.00 H new ATOM 0 HD2 HIS A 97 107.924 1.195 10.263 1.00 0.00 H new ATOM 0 HE1 HIS A 97 105.852 0.589 13.892 1.00 0.00 H new ATOM 0 HE2 HIS A 97 106.898 -0.613 11.883 1.00 0.00 H new ATOM 1497 N HIS A 98 105.643 6.965 10.389 1.00 0.00 N ATOM 1498 CA HIS A 98 105.815 8.374 10.027 1.00 0.00 C ATOM 1499 C HIS A 98 106.008 9.238 11.274 1.00 0.00 C ATOM 1500 O HIS A 98 106.574 10.329 11.200 1.00 0.00 O ATOM 1501 CB HIS A 98 104.588 8.857 9.245 1.00 0.00 C ATOM 1502 CG HIS A 98 103.393 8.926 10.158 1.00 0.00 C ATOM 1503 ND1 HIS A 98 102.586 7.827 10.410 1.00 0.00 N ATOM 1504 CD2 HIS A 98 102.855 9.959 10.885 1.00 0.00 C ATOM 1505 CE1 HIS A 98 101.617 8.220 11.257 1.00 0.00 C ATOM 1506 NE2 HIS A 98 101.735 9.511 11.578 1.00 0.00 N ATOM 0 H HIS A 98 104.729 6.740 10.782 1.00 0.00 H new ATOM 0 HA HIS A 98 106.706 8.466 9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 98 104.784 9.839 8.814 1.00 0.00 H new ATOM 0 HB3 HIS A 98 104.384 8.179 8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 98 103.243 10.967 10.914 1.00 0.00 H new ATOM 0 HE1 HIS A 98 100.839 7.571 11.631 1.00 0.00 H new ATOM 0 HE2 HIS A 98 101.133 10.052 12.198 1.00 0.00 H new ATOM 1514 N HIS A 99 105.538 8.742 12.418 1.00 0.00 N ATOM 1515 CA HIS A 99 105.665 9.474 13.683 1.00 0.00 C ATOM 1516 C HIS A 99 105.987 8.510 14.824 1.00 0.00 C ATOM 1517 O HIS A 99 105.416 7.421 14.904 1.00 0.00 O ATOM 1518 CB HIS A 99 104.361 10.219 13.989 1.00 0.00 C ATOM 1519 CG HIS A 99 104.528 11.026 15.248 1.00 0.00 C ATOM 1520 ND1 HIS A 99 104.087 10.572 16.481 1.00 0.00 N ATOM 1521 CD2 HIS A 99 105.094 12.254 15.482 1.00 0.00 C ATOM 1522 CE1 HIS A 99 104.395 11.512 17.394 1.00 0.00 C ATOM 1523 NE2 HIS A 99 105.011 12.558 16.839 1.00 0.00 N ATOM 0 H HIS A 99 105.067 7.841 12.498 1.00 0.00 H new ATOM 0 HA HIS A 99 106.478 10.194 13.589 1.00 0.00 H new ATOM 0 HB2 HIS A 99 104.099 10.873 13.157 1.00 0.00 H new ATOM 0 HB3 HIS A 99 103.543 9.509 14.106 1.00 0.00 H new ATOM 0 HD2 HIS A 99 105.537 12.889 14.728 1.00 0.00 H new ATOM 0 HE1 HIS A 99 104.171 11.430 18.447 1.00 0.00 H new ATOM 0 HE2 HIS A 99 105.348 13.399 17.308 1.00 0.00 H new ATOM 1531 N HIS A 100 106.913 8.909 15.700 1.00 0.00 N ATOM 1532 CA HIS A 100 107.312 8.061 16.828 1.00 0.00 C ATOM 1533 C HIS A 100 107.704 8.910 18.041 1.00 0.00 C ATOM 1534 O HIS A 100 106.843 9.428 18.752 1.00 0.00 O ATOM 1535 CB HIS A 100 108.494 7.181 16.410 1.00 0.00 C ATOM 1536 CG HIS A 100 109.508 8.019 15.680 1.00 0.00 C ATOM 1537 ND1 HIS A 100 110.799 8.193 16.151 1.00 0.00 N ATOM 1538 CD2 HIS A 100 109.438 8.734 14.509 1.00 0.00 C ATOM 1539 CE1 HIS A 100 111.447 8.983 15.278 1.00 0.00 C ATOM 1540 NE2 HIS A 100 110.664 9.342 14.258 1.00 0.00 N ATOM 0 H HIS A 100 107.397 9.805 15.652 1.00 0.00 H new ATOM 0 HA HIS A 100 106.465 7.435 17.108 1.00 0.00 H new ATOM 0 HB2 HIS A 100 108.949 6.723 17.288 1.00 0.00 H new ATOM 0 HB3 HIS A 100 108.149 6.369 15.770 1.00 0.00 H new ATOM 0 HD2 HIS A 100 108.564 8.812 13.879 1.00 0.00 H new ATOM 0 HE1 HIS A 100 112.476 9.290 15.388 1.00 0.00 H new ATOM 0 HE2 HIS A 100 110.911 9.934 13.465 1.00 0.00 H new ATOM 1548 N HIS A 101 109.011 9.046 18.267 1.00 0.00 N ATOM 1549 CA HIS A 101 109.528 9.835 19.392 1.00 0.00 C ATOM 1550 C HIS A 101 108.642 9.699 20.634 1.00 0.00 C ATOM 1551 O HIS A 101 108.010 10.668 21.058 1.00 0.00 O ATOM 1552 CB HIS A 101 109.613 11.315 18.996 1.00 0.00 C ATOM 1553 CG HIS A 101 110.489 12.059 19.975 1.00 0.00 C ATOM 1554 ND1 HIS A 101 110.008 12.540 21.185 1.00 0.00 N ATOM 1555 CD2 HIS A 101 111.815 12.413 19.933 1.00 0.00 C ATOM 1556 CE1 HIS A 101 111.031 13.151 21.814 1.00 0.00 C ATOM 1557 NE2 HIS A 101 112.155 13.100 21.094 1.00 0.00 N ATOM 0 H HIS A 101 109.734 8.621 17.687 1.00 0.00 H new ATOM 0 HA HIS A 101 110.519 9.452 19.634 1.00 0.00 H new ATOM 0 HB2 HIS A 101 110.018 11.408 17.988 1.00 0.00 H new ATOM 0 HB3 HIS A 101 108.616 11.754 18.980 1.00 0.00 H new ATOM 0 HD1 HIS A 101 109.054 12.448 21.534 1.00 0.00 H new ATOM 0 HD2 HIS A 101 112.492 12.192 19.121 1.00 0.00 H new ATOM 0 HE1 HIS A 101 110.952 13.624 22.782 1.00 0.00 H new ATOM 1565 N HIS A 102 108.605 8.503 21.222 1.00 0.00 N ATOM 1566 CA HIS A 102 107.797 8.276 22.420 1.00 0.00 C ATOM 1567 C HIS A 102 108.061 6.885 22.989 1.00 0.00 C ATOM 1568 O HIS A 102 107.201 6.033 22.837 1.00 0.00 O ATOM 1569 CB HIS A 102 106.306 8.425 22.096 1.00 0.00 C ATOM 1570 CG HIS A 102 105.488 8.179 23.338 1.00 0.00 C ATOM 1571 ND1 HIS A 102 104.936 6.941 23.628 1.00 0.00 N ATOM 1572 CD2 HIS A 102 105.113 9.006 24.370 1.00 0.00 C ATOM 1573 CE1 HIS A 102 104.266 7.057 24.790 1.00 0.00 C ATOM 1574 NE2 HIS A 102 104.342 8.295 25.284 1.00 0.00 N ATOM 1575 OXT HIS A 102 109.116 6.692 23.571 1.00 0.00 O ATOM 0 H HIS A 102 109.119 7.685 20.893 1.00 0.00 H new ATOM 0 HA HIS A 102 108.077 9.022 23.164 1.00 0.00 H new ATOM 0 HB2 HIS A 102 106.106 9.424 21.710 1.00 0.00 H new ATOM 0 HB3 HIS A 102 106.021 7.719 21.316 1.00 0.00 H new ATOM 0 HD1 HIS A 102 105.022 6.096 23.064 1.00 0.00 H new ATOM 0 HD2 HIS A 102 105.377 10.050 24.458 1.00 0.00 H new ATOM 0 HE1 HIS A 102 103.732 6.247 25.265 1.00 0.00 H new TER 1583 HIS A 102