USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 581 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -54:sc= 0.682 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.923! C(o=-0.92!,f=-3.2!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0332 (180deg=-0.249) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.4!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0507 F(o=-0.83,f=-0.051) USER MOD Single : A 21 SER OG : rot -84:sc= 1.25 USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= -0.0177 (180deg=-0.773) USER MOD Single : A 26 SER OG : rot -130:sc= -0.135 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.7!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-1.2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.5!) USER MOD Single : A 42 THR OG1 : rot -20:sc= -0.249 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -70:sc= -0.166 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0562) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 63 CYS SG : rot -60:sc= -0.317! USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.0464 (180deg=-0.371) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 56:sc= 0.0652 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.373 9.185 23.504 1.00 0.00 N ATOM 2 CA GLY A 1 21.654 9.868 23.505 1.00 0.00 C ATOM 3 C GLY A 1 22.087 10.287 22.114 1.00 0.00 C ATOM 4 O GLY A 1 21.304 10.866 21.360 1.00 0.00 O ATOM 0 H1 GLY A 1 20.121 8.919 24.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.643 9.817 23.118 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.436 8.329 22.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.592 10.749 24.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.411 9.213 23.936 1.00 0.00 H new ATOM 8 N SER A 2 23.338 9.997 21.773 1.00 0.00 N ATOM 9 CA SER A 2 23.877 10.354 20.465 1.00 0.00 C ATOM 10 C SER A 2 23.474 9.325 19.413 1.00 0.00 C ATOM 11 O SER A 2 23.043 9.679 18.315 1.00 0.00 O ATOM 12 CB SER A 2 25.401 10.464 20.530 1.00 0.00 C ATOM 13 OG SER A 2 25.913 11.133 19.389 1.00 0.00 O ATOM 0 H SER A 2 23.998 9.516 22.384 1.00 0.00 H new ATOM 0 HA SER A 2 23.463 11.321 20.180 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.692 11.002 21.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.838 9.468 20.598 1.00 0.00 H new ATOM 0 HG SER A 2 26.889 11.192 19.455 1.00 0.00 H new ATOM 19 N SER A 3 23.618 8.049 19.757 1.00 0.00 N ATOM 20 CA SER A 3 23.273 6.967 18.842 1.00 0.00 C ATOM 21 C SER A 3 21.760 6.787 18.759 1.00 0.00 C ATOM 22 O SER A 3 21.044 7.004 19.735 1.00 0.00 O ATOM 23 CB SER A 3 23.930 5.660 19.293 1.00 0.00 C ATOM 24 OG SER A 3 23.569 4.588 18.440 1.00 0.00 O ATOM 0 H SER A 3 23.971 7.739 20.662 1.00 0.00 H new ATOM 0 HA SER A 3 23.645 7.229 17.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.014 5.777 19.297 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.630 5.432 20.316 1.00 0.00 H new ATOM 0 HG SER A 3 24.003 3.765 18.748 1.00 0.00 H new ATOM 30 N GLY A 4 21.282 6.388 17.585 1.00 0.00 N ATOM 31 CA GLY A 4 19.858 6.185 17.394 1.00 0.00 C ATOM 32 C GLY A 4 19.555 5.216 16.267 1.00 0.00 C ATOM 33 O GLY A 4 19.992 4.065 16.295 1.00 0.00 O ATOM 0 H GLY A 4 21.856 6.202 16.762 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.421 5.809 18.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.383 7.143 17.183 1.00 0.00 H new ATOM 37 N SER A 5 18.805 5.683 15.274 1.00 0.00 N ATOM 38 CA SER A 5 18.440 4.847 14.136 1.00 0.00 C ATOM 39 C SER A 5 17.475 3.744 14.559 1.00 0.00 C ATOM 40 O SER A 5 17.611 2.592 14.142 1.00 0.00 O ATOM 41 CB SER A 5 19.691 4.233 13.504 1.00 0.00 C ATOM 42 OG SER A 5 19.401 3.677 12.234 1.00 0.00 O ATOM 0 H SER A 5 18.439 6.634 15.234 1.00 0.00 H new ATOM 0 HA SER A 5 17.942 5.477 13.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.463 4.996 13.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.091 3.460 14.160 1.00 0.00 H new ATOM 0 HG SER A 5 18.685 3.014 12.323 1.00 0.00 H new ATOM 48 N SER A 6 16.501 4.103 15.389 1.00 0.00 N ATOM 49 CA SER A 6 15.516 3.144 15.872 1.00 0.00 C ATOM 50 C SER A 6 14.605 2.683 14.738 1.00 0.00 C ATOM 51 O SER A 6 14.398 3.403 13.763 1.00 0.00 O ATOM 52 CB SER A 6 14.681 3.760 16.995 1.00 0.00 C ATOM 53 OG SER A 6 14.087 2.756 17.800 1.00 0.00 O ATOM 0 H SER A 6 16.373 5.052 15.741 1.00 0.00 H new ATOM 0 HA SER A 6 16.050 2.277 16.261 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.312 4.399 17.613 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.904 4.395 16.568 1.00 0.00 H new ATOM 0 HG SER A 6 13.560 3.176 18.511 1.00 0.00 H new ATOM 59 N GLY A 7 14.061 1.478 14.876 1.00 0.00 N ATOM 60 CA GLY A 7 13.178 0.941 13.858 1.00 0.00 C ATOM 61 C GLY A 7 13.863 0.798 12.513 1.00 0.00 C ATOM 62 O GLY A 7 15.090 0.856 12.424 1.00 0.00 O ATOM 0 H GLY A 7 14.216 0.864 15.675 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.808 -0.033 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.311 1.593 13.753 1.00 0.00 H new ATOM 66 N ALA A 8 13.070 0.611 11.463 1.00 0.00 N ATOM 67 CA ALA A 8 13.607 0.461 10.117 1.00 0.00 C ATOM 68 C ALA A 8 13.809 1.818 9.451 1.00 0.00 C ATOM 69 O ALA A 8 13.476 2.001 8.279 1.00 0.00 O ATOM 70 CB ALA A 8 12.687 -0.411 9.275 1.00 0.00 C ATOM 0 H ALA A 8 12.053 0.560 11.519 1.00 0.00 H new ATOM 0 HA ALA A 8 14.580 -0.025 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.101 -0.514 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.598 -1.396 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.702 0.051 9.215 1.00 0.00 H new ATOM 76 N SER A 9 14.353 2.767 10.205 1.00 0.00 N ATOM 77 CA SER A 9 14.594 4.109 9.688 1.00 0.00 C ATOM 78 C SER A 9 13.414 4.588 8.849 1.00 0.00 C ATOM 79 O SER A 9 13.592 5.278 7.845 1.00 0.00 O ATOM 80 CB SER A 9 15.874 4.134 8.851 1.00 0.00 C ATOM 81 OG SER A 9 16.198 5.456 8.454 1.00 0.00 O ATOM 0 H SER A 9 14.635 2.632 11.176 1.00 0.00 H new ATOM 0 HA SER A 9 14.711 4.783 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.697 3.712 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.748 3.507 7.969 1.00 0.00 H new ATOM 0 HG SER A 9 15.428 5.860 8.001 1.00 0.00 H new ATOM 87 N ILE A 10 12.208 4.217 9.268 1.00 0.00 N ATOM 88 CA ILE A 10 10.999 4.609 8.555 1.00 0.00 C ATOM 89 C ILE A 10 9.798 4.652 9.494 1.00 0.00 C ATOM 90 O ILE A 10 9.807 4.036 10.561 1.00 0.00 O ATOM 91 CB ILE A 10 10.694 3.647 7.393 1.00 0.00 C ATOM 92 CG1 ILE A 10 10.611 2.206 7.902 1.00 0.00 C ATOM 93 CG2 ILE A 10 11.755 3.772 6.309 1.00 0.00 C ATOM 94 CD1 ILE A 10 9.236 1.819 8.399 1.00 0.00 C ATOM 0 H ILE A 10 12.043 3.646 10.097 1.00 0.00 H new ATOM 0 HA ILE A 10 11.179 5.606 8.152 1.00 0.00 H new ATOM 0 HB ILE A 10 9.729 3.916 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.902 1.528 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.331 2.072 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.525 3.085 5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.769 4.794 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.732 3.527 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.252 0.785 8.744 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.950 2.472 9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.514 1.920 7.588 1.00 0.00 H new ATOM 106 N TYR A 11 8.763 5.380 9.089 1.00 0.00 N ATOM 107 CA TYR A 11 7.554 5.503 9.895 1.00 0.00 C ATOM 108 C TYR A 11 6.345 5.812 9.017 1.00 0.00 C ATOM 109 O TYR A 11 6.485 6.167 7.847 1.00 0.00 O ATOM 110 CB TYR A 11 7.726 6.599 10.948 1.00 0.00 C ATOM 111 CG TYR A 11 8.810 6.301 11.960 1.00 0.00 C ATOM 112 CD1 TYR A 11 8.629 5.325 12.933 1.00 0.00 C ATOM 113 CD2 TYR A 11 10.012 6.996 11.944 1.00 0.00 C ATOM 114 CE1 TYR A 11 9.616 5.049 13.860 1.00 0.00 C ATOM 115 CE2 TYR A 11 11.005 6.726 12.866 1.00 0.00 C ATOM 116 CZ TYR A 11 10.802 5.752 13.822 1.00 0.00 C ATOM 117 OH TYR A 11 11.788 5.482 14.743 1.00 0.00 O ATOM 0 H TYR A 11 8.737 5.893 8.208 1.00 0.00 H new ATOM 0 HA TYR A 11 7.384 4.550 10.397 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.956 7.539 10.447 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.780 6.740 11.472 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.701 4.773 12.965 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.173 7.760 11.198 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.460 4.287 14.610 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.935 7.274 12.839 1.00 0.00 H new ATOM 0 HH TYR A 11 12.559 6.064 14.577 1.00 0.00 H new ATOM 127 N LYS A 12 5.154 5.673 9.591 1.00 0.00 N ATOM 128 CA LYS A 12 3.918 5.938 8.865 1.00 0.00 C ATOM 129 C LYS A 12 3.010 6.873 9.658 1.00 0.00 C ATOM 130 O LYS A 12 1.857 6.547 9.934 1.00 0.00 O ATOM 131 CB LYS A 12 3.185 4.628 8.570 1.00 0.00 C ATOM 132 CG LYS A 12 2.780 3.862 9.818 1.00 0.00 C ATOM 133 CD LYS A 12 3.883 2.924 10.279 1.00 0.00 C ATOM 134 CE LYS A 12 3.378 1.940 11.321 1.00 0.00 C ATOM 135 NZ LYS A 12 3.040 2.614 12.605 1.00 0.00 N ATOM 0 H LYS A 12 5.019 5.378 10.558 1.00 0.00 H new ATOM 0 HA LYS A 12 4.176 6.423 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.293 4.845 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.825 3.994 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.542 4.565 10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.875 3.289 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.279 2.378 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.706 3.505 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.496 1.426 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.138 1.179 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.700 1.908 13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.887 3.083 12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.297 3.323 12.440 1.00 0.00 H new ATOM 149 N ASN A 13 3.540 8.037 10.021 1.00 0.00 N ATOM 150 CA ASN A 13 2.776 9.020 10.782 1.00 0.00 C ATOM 151 C ASN A 13 2.082 10.009 9.851 1.00 0.00 C ATOM 152 O ASN A 13 2.194 11.223 10.023 1.00 0.00 O ATOM 153 CB ASN A 13 3.693 9.770 11.750 1.00 0.00 C ATOM 154 CG ASN A 13 4.545 10.812 11.050 1.00 0.00 C ATOM 155 OD1 ASN A 13 5.167 10.534 10.026 1.00 0.00 O ATOM 156 ND2 ASN A 13 4.575 12.019 11.602 1.00 0.00 N ATOM 0 H ASN A 13 4.494 8.322 9.801 1.00 0.00 H new ATOM 0 HA ASN A 13 2.013 8.489 11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.089 10.254 12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.341 9.056 12.259 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.130 12.761 11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.043 12.204 12.452 1.00 0.00 H new ATOM 163 N LYS A 14 1.365 9.481 8.865 1.00 0.00 N ATOM 164 CA LYS A 14 0.651 10.316 7.906 1.00 0.00 C ATOM 165 C LYS A 14 -0.767 10.607 8.388 1.00 0.00 C ATOM 166 O LYS A 14 -1.269 11.721 8.240 1.00 0.00 O ATOM 167 CB LYS A 14 0.606 9.634 6.538 1.00 0.00 C ATOM 168 CG LYS A 14 1.949 9.603 5.829 1.00 0.00 C ATOM 169 CD LYS A 14 2.310 10.964 5.259 1.00 0.00 C ATOM 170 CE LYS A 14 3.274 10.840 4.088 1.00 0.00 C ATOM 171 NZ LYS A 14 2.615 10.259 2.886 1.00 0.00 N ATOM 0 H LYS A 14 1.263 8.478 8.709 1.00 0.00 H new ATOM 0 HA LYS A 14 1.187 11.261 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.247 8.612 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.117 10.152 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.723 9.283 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.920 8.867 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.404 11.475 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.760 11.579 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.675 11.823 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.118 10.214 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.178 10.480 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.544 9.227 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.662 10.663 2.783 1.00 0.00 H new ATOM 185 N LYS A 15 -1.408 9.596 8.967 1.00 0.00 N ATOM 186 CA LYS A 15 -2.768 9.742 9.473 1.00 0.00 C ATOM 187 C LYS A 15 -2.855 9.304 10.932 1.00 0.00 C ATOM 188 O LYS A 15 -2.037 8.515 11.402 1.00 0.00 O ATOM 189 CB LYS A 15 -3.742 8.922 8.625 1.00 0.00 C ATOM 190 CG LYS A 15 -3.875 9.423 7.197 1.00 0.00 C ATOM 191 CD LYS A 15 -5.172 8.952 6.559 1.00 0.00 C ATOM 192 CE LYS A 15 -5.166 9.176 5.054 1.00 0.00 C ATOM 193 NZ LYS A 15 -5.207 10.624 4.709 1.00 0.00 N ATOM 0 H LYS A 15 -1.007 8.667 9.097 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.041 10.796 9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.410 7.884 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.724 8.935 9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.839 10.512 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.029 9.071 6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.319 7.893 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.012 9.485 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.272 8.725 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.024 8.672 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.202 10.735 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.073 11.049 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.375 11.101 5.113 1.00 0.00 H new ATOM 207 N SER A 16 -3.852 9.823 11.642 1.00 0.00 N ATOM 208 CA SER A 16 -4.044 9.486 13.048 1.00 0.00 C ATOM 209 C SER A 16 -4.545 8.053 13.200 1.00 0.00 C ATOM 210 O SER A 16 -5.619 7.703 12.709 1.00 0.00 O ATOM 211 CB SER A 16 -5.035 10.456 13.695 1.00 0.00 C ATOM 212 OG SER A 16 -5.020 10.334 15.107 1.00 0.00 O ATOM 0 H SER A 16 -4.539 10.478 11.267 1.00 0.00 H new ATOM 0 HA SER A 16 -3.081 9.571 13.552 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.785 11.479 13.413 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.039 10.258 13.320 1.00 0.00 H new ATOM 0 HG SER A 16 -5.660 10.965 15.497 1.00 0.00 H new ATOM 218 N HIS A 17 -3.759 7.227 13.884 1.00 0.00 N ATOM 219 CA HIS A 17 -4.121 5.832 14.102 1.00 0.00 C ATOM 220 C HIS A 17 -5.597 5.705 14.473 1.00 0.00 C ATOM 221 O HIS A 17 -6.259 4.739 14.095 1.00 0.00 O ATOM 222 CB HIS A 17 -3.253 5.224 15.204 1.00 0.00 C ATOM 223 CG HIS A 17 -3.487 3.759 15.411 1.00 0.00 C ATOM 224 ND1 HIS A 17 -3.749 3.206 16.647 1.00 0.00 N ATOM 225 CD2 HIS A 17 -3.498 2.732 14.530 1.00 0.00 C ATOM 226 CE1 HIS A 17 -3.909 1.900 16.517 1.00 0.00 C ATOM 227 NE2 HIS A 17 -3.763 1.587 15.242 1.00 0.00 N ATOM 0 H HIS A 17 -2.867 7.500 14.297 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.949 5.289 13.173 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.203 5.385 14.959 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.446 5.750 16.139 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.330 2.800 13.465 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.123 1.207 17.317 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.835 0.648 14.850 1.00 0.00 H new ATOM 236 N GLU A 18 -6.102 6.686 15.213 1.00 0.00 N ATOM 237 CA GLU A 18 -7.499 6.683 15.634 1.00 0.00 C ATOM 238 C GLU A 18 -8.415 6.287 14.479 1.00 0.00 C ATOM 239 O GLU A 18 -9.368 5.532 14.661 1.00 0.00 O ATOM 240 CB GLU A 18 -7.897 8.060 16.167 1.00 0.00 C ATOM 241 CG GLU A 18 -7.105 8.492 17.390 1.00 0.00 C ATOM 242 CD GLU A 18 -7.449 7.681 18.624 1.00 0.00 C ATOM 243 OE1 GLU A 18 -8.568 7.848 19.152 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.598 6.878 19.063 1.00 0.00 O ATOM 0 H GLU A 18 -5.566 7.493 15.534 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.610 5.948 16.431 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.761 8.799 15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.958 8.051 16.416 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.040 8.395 17.181 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.296 9.547 17.588 1.00 0.00 H new ATOM 251 N GLN A 19 -8.117 6.805 13.292 1.00 0.00 N ATOM 252 CA GLN A 19 -8.914 6.509 12.108 1.00 0.00 C ATOM 253 C GLN A 19 -8.157 5.584 11.160 1.00 0.00 C ATOM 254 O GLN A 19 -8.718 4.621 10.635 1.00 0.00 O ATOM 255 CB GLN A 19 -9.292 7.802 11.383 1.00 0.00 C ATOM 256 CG GLN A 19 -8.093 8.639 10.969 1.00 0.00 C ATOM 257 CD GLN A 19 -8.488 10.009 10.451 1.00 0.00 C ATOM 258 OE1 GLN A 19 -8.494 10.165 9.134 1.00 0.00 O flip ATOM 259 NE2 GLN A 19 -8.785 10.916 11.228 1.00 0.00 N flip ATOM 0 H GLN A 19 -7.330 7.432 13.125 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.824 6.004 12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.876 7.554 10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.934 8.398 12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.425 8.756 11.822 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.535 8.110 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.767 10.752 12.235 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.049 11.832 10.865 1.00 0.00 H new ATOM 268 N LEU A 20 -6.880 5.882 10.944 1.00 0.00 N ATOM 269 CA LEU A 20 -6.046 5.077 10.060 1.00 0.00 C ATOM 270 C LEU A 20 -6.217 3.590 10.352 1.00 0.00 C ATOM 271 O LEU A 20 -6.238 2.766 9.439 1.00 0.00 O ATOM 272 CB LEU A 20 -4.576 5.472 10.213 1.00 0.00 C ATOM 273 CG LEU A 20 -3.612 4.885 9.182 1.00 0.00 C ATOM 274 CD1 LEU A 20 -3.896 5.454 7.800 1.00 0.00 C ATOM 275 CD2 LEU A 20 -2.169 5.155 9.585 1.00 0.00 C ATOM 0 H LEU A 20 -6.400 6.675 11.369 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.362 5.265 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.506 6.559 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.241 5.172 11.206 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.763 3.806 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.200 5.024 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.917 5.209 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.775 6.537 7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.497 4.730 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.005 6.231 9.650 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.970 4.698 10.555 1.00 0.00 H new ATOM 287 N SER A 21 -6.341 3.254 11.632 1.00 0.00 N ATOM 288 CA SER A 21 -6.508 1.866 12.046 1.00 0.00 C ATOM 289 C SER A 21 -7.707 1.233 11.348 1.00 0.00 C ATOM 290 O SER A 21 -7.615 0.128 10.813 1.00 0.00 O ATOM 291 CB SER A 21 -6.685 1.782 13.564 1.00 0.00 C ATOM 292 OG SER A 21 -7.784 2.566 13.994 1.00 0.00 O ATOM 0 H SER A 21 -6.329 3.924 12.401 1.00 0.00 H new ATOM 0 HA SER A 21 -5.611 1.317 11.761 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.838 0.744 13.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.776 2.123 14.059 1.00 0.00 H new ATOM 0 HG SER A 21 -7.497 3.496 14.109 1.00 0.00 H new ATOM 298 N ALA A 22 -8.832 1.941 11.357 1.00 0.00 N ATOM 299 CA ALA A 22 -10.050 1.450 10.723 1.00 0.00 C ATOM 300 C ALA A 22 -9.779 0.997 9.292 1.00 0.00 C ATOM 301 O ALA A 22 -10.043 -0.151 8.933 1.00 0.00 O ATOM 302 CB ALA A 22 -11.127 2.525 10.744 1.00 0.00 C ATOM 0 H ALA A 22 -8.925 2.857 11.796 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.403 0.588 11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.030 2.144 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.349 2.798 11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.775 3.404 10.204 1.00 0.00 H new ATOM 308 N LEU A 23 -9.252 1.906 8.478 1.00 0.00 N ATOM 309 CA LEU A 23 -8.947 1.601 7.085 1.00 0.00 C ATOM 310 C LEU A 23 -8.098 0.338 6.978 1.00 0.00 C ATOM 311 O LEU A 23 -8.465 -0.613 6.287 1.00 0.00 O ATOM 312 CB LEU A 23 -8.218 2.776 6.433 1.00 0.00 C ATOM 313 CG LEU A 23 -9.000 4.087 6.345 1.00 0.00 C ATOM 314 CD1 LEU A 23 -8.054 5.261 6.150 1.00 0.00 C ATOM 315 CD2 LEU A 23 -10.017 4.025 5.214 1.00 0.00 C ATOM 0 H LEU A 23 -9.027 2.860 8.759 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.888 1.430 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.299 2.961 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.926 2.482 5.425 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.537 4.232 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.629 6.185 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.365 5.317 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.489 5.124 5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.565 4.966 5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.500 3.857 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.715 3.208 5.397 1.00 0.00 H new ATOM 327 N LYS A 24 -6.963 0.335 7.667 1.00 0.00 N ATOM 328 CA LYS A 24 -6.062 -0.812 7.654 1.00 0.00 C ATOM 329 C LYS A 24 -6.844 -2.119 7.740 1.00 0.00 C ATOM 330 O LYS A 24 -6.622 -3.041 6.956 1.00 0.00 O ATOM 331 CB LYS A 24 -5.070 -0.721 8.815 1.00 0.00 C ATOM 332 CG LYS A 24 -4.128 0.466 8.720 1.00 0.00 C ATOM 333 CD LYS A 24 -2.805 0.186 9.411 1.00 0.00 C ATOM 334 CE LYS A 24 -1.872 1.384 9.335 1.00 0.00 C ATOM 335 NZ LYS A 24 -1.553 1.750 7.926 1.00 0.00 N ATOM 0 H LYS A 24 -6.644 1.115 8.242 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.512 -0.800 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.625 -0.660 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.482 -1.638 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.948 0.706 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.597 1.340 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.986 -0.070 10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.328 -0.678 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.333 2.235 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.949 1.160 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.597 2.156 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.597 0.900 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.243 2.450 7.584 1.00 0.00 H new ATOM 349 N GLY A 25 -7.764 -2.191 8.699 1.00 0.00 N ATOM 350 CA GLY A 25 -8.566 -3.389 8.868 1.00 0.00 C ATOM 351 C GLY A 25 -9.462 -3.660 7.677 1.00 0.00 C ATOM 352 O GLY A 25 -9.427 -4.745 7.098 1.00 0.00 O ATOM 0 H GLY A 25 -7.967 -1.442 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.908 -4.244 9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.178 -3.289 9.764 1.00 0.00 H new ATOM 356 N SER A 26 -10.272 -2.671 7.311 1.00 0.00 N ATOM 357 CA SER A 26 -11.186 -2.809 6.183 1.00 0.00 C ATOM 358 C SER A 26 -10.450 -3.305 4.943 1.00 0.00 C ATOM 359 O SER A 26 -10.856 -4.281 4.313 1.00 0.00 O ATOM 360 CB SER A 26 -11.869 -1.473 5.886 1.00 0.00 C ATOM 361 OG SER A 26 -12.971 -1.259 6.750 1.00 0.00 O ATOM 0 H SER A 26 -10.314 -1.766 7.779 1.00 0.00 H new ATOM 0 HA SER A 26 -11.945 -3.545 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.151 -0.661 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.207 -1.457 4.850 1.00 0.00 H new ATOM 0 HG SER A 26 -13.757 -1.008 6.221 1.00 0.00 H new ATOM 367 N PHE A 27 -9.362 -2.623 4.597 1.00 0.00 N ATOM 368 CA PHE A 27 -8.568 -2.991 3.432 1.00 0.00 C ATOM 369 C PHE A 27 -8.530 -4.507 3.256 1.00 0.00 C ATOM 370 O PHE A 27 -8.724 -5.019 2.153 1.00 0.00 O ATOM 371 CB PHE A 27 -7.144 -2.446 3.566 1.00 0.00 C ATOM 372 CG PHE A 27 -6.233 -2.872 2.450 1.00 0.00 C ATOM 373 CD1 PHE A 27 -6.233 -2.195 1.241 1.00 0.00 C ATOM 374 CD2 PHE A 27 -5.373 -3.947 2.611 1.00 0.00 C ATOM 375 CE1 PHE A 27 -5.396 -2.585 0.213 1.00 0.00 C ATOM 376 CE2 PHE A 27 -4.533 -4.342 1.587 1.00 0.00 C ATOM 377 CZ PHE A 27 -4.544 -3.659 0.386 1.00 0.00 C ATOM 0 H PHE A 27 -9.011 -1.813 5.108 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.036 -2.552 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.182 -1.357 3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.724 -2.779 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.895 -1.353 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.359 -4.483 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.408 -2.051 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.869 -5.183 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.888 -3.964 -0.416 1.00 0.00 H new ATOM 387 N CYS A 28 -8.278 -5.217 4.350 1.00 0.00 N ATOM 388 CA CYS A 28 -8.212 -6.674 4.318 1.00 0.00 C ATOM 389 C CYS A 28 -9.600 -7.276 4.121 1.00 0.00 C ATOM 390 O CYS A 28 -9.875 -7.908 3.102 1.00 0.00 O ATOM 391 CB CYS A 28 -7.590 -7.206 5.609 1.00 0.00 C ATOM 392 SG CYS A 28 -6.846 -8.846 5.449 1.00 0.00 S ATOM 0 H CYS A 28 -8.116 -4.808 5.270 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.586 -6.967 3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.828 -6.505 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.358 -7.241 6.382 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.345 -9.209 6.592 1.00 0.00 H new ATOM 398 N ARG A 29 -10.470 -7.077 5.106 1.00 0.00 N ATOM 399 CA ARG A 29 -11.829 -7.602 5.043 1.00 0.00 C ATOM 400 C ARG A 29 -12.359 -7.569 3.613 1.00 0.00 C ATOM 401 O ARG A 29 -12.678 -8.607 3.034 1.00 0.00 O ATOM 402 CB ARG A 29 -12.753 -6.799 5.960 1.00 0.00 C ATOM 403 CG ARG A 29 -12.658 -7.199 7.423 1.00 0.00 C ATOM 404 CD ARG A 29 -13.921 -6.827 8.184 1.00 0.00 C ATOM 405 NE ARG A 29 -13.900 -5.439 8.636 1.00 0.00 N ATOM 406 CZ ARG A 29 -13.236 -5.026 9.710 1.00 0.00 C ATOM 407 NH1 ARG A 29 -12.543 -5.891 10.438 1.00 0.00 N ATOM 408 NH2 ARG A 29 -13.265 -3.746 10.057 1.00 0.00 N ATOM 0 H ARG A 29 -10.258 -6.556 5.957 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.807 -8.638 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.513 -5.740 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.782 -6.924 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.490 -8.273 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.798 -6.709 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.789 -6.987 7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.033 -7.487 9.045 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.424 -4.749 8.098 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.519 -6.876 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.034 -5.571 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.797 -3.078 9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.755 -3.429 10.882 1.00 0.00 H new ATOM 422 N ASN A 30 -12.448 -6.370 3.048 1.00 0.00 N ATOM 423 CA ASN A 30 -12.941 -6.201 1.687 1.00 0.00 C ATOM 424 C ASN A 30 -11.844 -5.660 0.774 1.00 0.00 C ATOM 425 O ASN A 30 -11.394 -4.526 0.935 1.00 0.00 O ATOM 426 CB ASN A 30 -14.145 -5.256 1.669 1.00 0.00 C ATOM 427 CG ASN A 30 -14.991 -5.419 0.421 1.00 0.00 C ATOM 428 OD1 ASN A 30 -14.963 -6.464 -0.229 1.00 0.00 O ATOM 429 ND2 ASN A 30 -15.747 -4.383 0.081 1.00 0.00 N ATOM 0 H ASN A 30 -12.185 -5.501 3.512 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.250 -7.179 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.761 -5.441 2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.795 -4.226 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.337 -4.433 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.738 -3.537 0.650 1.00 0.00 H new ATOM 436 N GLN A 31 -11.420 -6.480 -0.183 1.00 0.00 N ATOM 437 CA GLN A 31 -10.375 -6.083 -1.120 1.00 0.00 C ATOM 438 C GLN A 31 -10.526 -4.618 -1.514 1.00 0.00 C ATOM 439 O GLN A 31 -9.596 -3.826 -1.364 1.00 0.00 O ATOM 440 CB GLN A 31 -10.419 -6.967 -2.367 1.00 0.00 C ATOM 441 CG GLN A 31 -9.809 -8.344 -2.158 1.00 0.00 C ATOM 442 CD GLN A 31 -8.323 -8.374 -2.453 1.00 0.00 C ATOM 443 OE1 GLN A 31 -7.908 -8.599 -3.591 1.00 0.00 O ATOM 444 NE2 GLN A 31 -7.511 -8.149 -1.426 1.00 0.00 N ATOM 0 H GLN A 31 -11.783 -7.422 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.411 -6.209 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.455 -7.082 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.891 -6.464 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.978 -8.660 -1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.318 -9.064 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.898 -7.967 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.500 -8.158 -1.563 1.00 0.00 H new ATOM 453 N PHE A 32 -11.703 -4.264 -2.020 1.00 0.00 N ATOM 454 CA PHE A 32 -11.975 -2.894 -2.437 1.00 0.00 C ATOM 455 C PHE A 32 -13.414 -2.503 -2.117 1.00 0.00 C ATOM 456 O PHE A 32 -14.339 -3.310 -2.210 1.00 0.00 O ATOM 457 CB PHE A 32 -11.713 -2.734 -3.937 1.00 0.00 C ATOM 458 CG PHE A 32 -12.476 -3.710 -4.787 1.00 0.00 C ATOM 459 CD1 PHE A 32 -12.184 -5.063 -4.742 1.00 0.00 C ATOM 460 CD2 PHE A 32 -13.486 -3.272 -5.629 1.00 0.00 C ATOM 461 CE1 PHE A 32 -12.884 -5.962 -5.523 1.00 0.00 C ATOM 462 CE2 PHE A 32 -14.190 -4.168 -6.412 1.00 0.00 C ATOM 463 CZ PHE A 32 -13.889 -5.515 -6.358 1.00 0.00 C ATOM 0 H PHE A 32 -12.484 -4.907 -2.151 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.307 -2.233 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.976 -1.720 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.647 -2.856 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.401 -5.419 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -13.726 -2.220 -5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.645 -7.014 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.974 -3.815 -7.065 1.00 0.00 H new ATOM 0 HZ PHE A 32 -14.438 -6.217 -6.968 1.00 0.00 H new ATOM 473 N PRO A 33 -13.610 -1.234 -1.731 1.00 0.00 N ATOM 474 CA PRO A 33 -14.934 -0.706 -1.388 1.00 0.00 C ATOM 475 C PRO A 33 -15.840 -0.577 -2.607 1.00 0.00 C ATOM 476 O PRO A 33 -15.396 -0.740 -3.743 1.00 0.00 O ATOM 477 CB PRO A 33 -14.626 0.675 -0.803 1.00 0.00 C ATOM 478 CG PRO A 33 -13.324 1.063 -1.416 1.00 0.00 C ATOM 479 CD PRO A 33 -12.554 -0.216 -1.598 1.00 0.00 C ATOM 0 HA PRO A 33 -15.470 -1.364 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.409 1.393 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.557 0.638 0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.477 1.566 -2.371 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.782 1.757 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.917 -0.179 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.905 -0.419 -0.746 1.00 0.00 H new ATOM 487 N GLY A 34 -17.114 -0.283 -2.364 1.00 0.00 N ATOM 488 CA GLY A 34 -18.062 -0.137 -3.454 1.00 0.00 C ATOM 489 C GLY A 34 -18.794 1.190 -3.412 1.00 0.00 C ATOM 490 O GLY A 34 -18.347 2.170 -4.005 1.00 0.00 O ATOM 0 H GLY A 34 -17.506 -0.143 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.535 -0.228 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.787 -0.950 -3.412 1.00 0.00 H new ATOM 494 N GLN A 35 -19.922 1.220 -2.710 1.00 0.00 N ATOM 495 CA GLN A 35 -20.718 2.436 -2.596 1.00 0.00 C ATOM 496 C GLN A 35 -21.092 2.707 -1.142 1.00 0.00 C ATOM 497 O GLN A 35 -20.966 3.832 -0.657 1.00 0.00 O ATOM 498 CB GLN A 35 -21.982 2.326 -3.448 1.00 0.00 C ATOM 499 CG GLN A 35 -21.796 2.808 -4.878 1.00 0.00 C ATOM 500 CD GLN A 35 -21.823 4.319 -4.993 1.00 0.00 C ATOM 501 OE1 GLN A 35 -21.955 5.027 -3.993 1.00 0.00 O ATOM 502 NE2 GLN A 35 -21.697 4.823 -6.215 1.00 0.00 N ATOM 0 H GLN A 35 -20.305 0.417 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 35 -20.116 3.269 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -22.310 1.287 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -22.778 2.905 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -20.847 2.435 -5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -22.581 2.386 -5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -21.590 4.200 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -21.707 5.834 -6.353 1.00 0.00 H new ATOM 511 N SER A 36 -21.553 1.670 -0.452 1.00 0.00 N ATOM 512 CA SER A 36 -21.950 1.796 0.946 1.00 0.00 C ATOM 513 C SER A 36 -20.728 1.809 1.859 1.00 0.00 C ATOM 514 O SER A 36 -20.678 2.556 2.835 1.00 0.00 O ATOM 515 CB SER A 36 -22.883 0.649 1.340 1.00 0.00 C ATOM 516 OG SER A 36 -24.075 0.675 0.574 1.00 0.00 O ATOM 0 H SER A 36 -21.661 0.732 -0.838 1.00 0.00 H new ATOM 0 HA SER A 36 -22.480 2.741 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 36 -22.374 -0.304 1.195 1.00 0.00 H new ATOM 0 HB3 SER A 36 -23.127 0.722 2.400 1.00 0.00 H new ATOM 0 HG SER A 36 -24.653 -0.069 0.844 1.00 0.00 H new ATOM 522 N GLU A 37 -19.744 0.977 1.533 1.00 0.00 N ATOM 523 CA GLU A 37 -18.522 0.892 2.324 1.00 0.00 C ATOM 524 C GLU A 37 -17.874 2.265 2.472 1.00 0.00 C ATOM 525 O GLU A 37 -17.593 2.715 3.583 1.00 0.00 O ATOM 526 CB GLU A 37 -17.536 -0.083 1.676 1.00 0.00 C ATOM 527 CG GLU A 37 -17.821 -1.540 1.999 1.00 0.00 C ATOM 528 CD GLU A 37 -19.277 -1.910 1.793 1.00 0.00 C ATOM 529 OE1 GLU A 37 -20.080 -1.705 2.728 1.00 0.00 O ATOM 530 OE2 GLU A 37 -19.614 -2.402 0.696 1.00 0.00 O ATOM 0 H GLU A 37 -19.769 0.352 0.727 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.786 0.525 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -17.561 0.053 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.526 0.163 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.196 -2.176 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.542 -1.740 3.034 1.00 0.00 H new ATOM 537 N VAL A 38 -17.638 2.927 1.343 1.00 0.00 N ATOM 538 CA VAL A 38 -17.023 4.248 1.346 1.00 0.00 C ATOM 539 C VAL A 38 -17.843 5.234 2.170 1.00 0.00 C ATOM 540 O VAL A 38 -17.303 5.961 3.003 1.00 0.00 O ATOM 541 CB VAL A 38 -16.866 4.798 -0.084 1.00 0.00 C ATOM 542 CG1 VAL A 38 -16.412 6.249 -0.052 1.00 0.00 C ATOM 543 CG2 VAL A 38 -15.890 3.943 -0.879 1.00 0.00 C ATOM 0 H VAL A 38 -17.864 2.569 0.415 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.036 4.136 1.795 1.00 0.00 H new ATOM 0 HB VAL A 38 -17.836 4.757 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.307 6.620 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.151 6.850 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.452 6.319 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.791 4.346 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.917 3.950 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.262 2.920 -0.932 1.00 0.00 H new ATOM 553 N GLU A 39 -19.151 5.252 1.932 1.00 0.00 N ATOM 554 CA GLU A 39 -20.046 6.150 2.653 1.00 0.00 C ATOM 555 C GLU A 39 -19.918 5.950 4.161 1.00 0.00 C ATOM 556 O GLU A 39 -20.130 6.879 4.942 1.00 0.00 O ATOM 557 CB GLU A 39 -21.494 5.919 2.219 1.00 0.00 C ATOM 558 CG GLU A 39 -21.815 6.485 0.846 1.00 0.00 C ATOM 559 CD GLU A 39 -22.293 7.922 0.904 1.00 0.00 C ATOM 560 OE1 GLU A 39 -22.780 8.342 1.975 1.00 0.00 O ATOM 561 OE2 GLU A 39 -22.182 8.627 -0.120 1.00 0.00 O ATOM 0 H GLU A 39 -19.614 4.656 1.246 1.00 0.00 H new ATOM 0 HA GLU A 39 -19.761 7.175 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -21.698 4.848 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -22.161 6.370 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.927 6.427 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.581 5.870 0.374 1.00 0.00 H new ATOM 568 N HIS A 40 -19.570 4.731 4.564 1.00 0.00 N ATOM 569 CA HIS A 40 -19.413 4.410 5.977 1.00 0.00 C ATOM 570 C HIS A 40 -18.035 4.828 6.480 1.00 0.00 C ATOM 571 O HIS A 40 -17.918 5.585 7.446 1.00 0.00 O ATOM 572 CB HIS A 40 -19.619 2.912 6.207 1.00 0.00 C ATOM 573 CG HIS A 40 -19.021 2.414 7.486 1.00 0.00 C ATOM 574 ND1 HIS A 40 -19.026 3.148 8.654 1.00 0.00 N ATOM 575 CD2 HIS A 40 -18.400 1.248 7.779 1.00 0.00 C ATOM 576 CE1 HIS A 40 -18.431 2.455 9.609 1.00 0.00 C ATOM 577 NE2 HIS A 40 -18.042 1.297 9.103 1.00 0.00 N ATOM 0 H HIS A 40 -19.392 3.951 3.932 1.00 0.00 H new ATOM 0 HA HIS A 40 -20.168 4.964 6.536 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -20.687 2.697 6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -19.183 2.362 5.373 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -18.219 0.430 7.097 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.287 2.779 10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.555 0.560 9.613 1.00 0.00 H new ATOM 586 N LEU A 41 -16.994 4.331 5.822 1.00 0.00 N ATOM 587 CA LEU A 41 -15.623 4.653 6.203 1.00 0.00 C ATOM 588 C LEU A 41 -15.410 6.163 6.247 1.00 0.00 C ATOM 589 O LEU A 41 -14.611 6.666 7.038 1.00 0.00 O ATOM 590 CB LEU A 41 -14.638 4.016 5.222 1.00 0.00 C ATOM 591 CG LEU A 41 -14.408 2.513 5.381 1.00 0.00 C ATOM 592 CD1 LEU A 41 -13.986 1.894 4.058 1.00 0.00 C ATOM 593 CD2 LEU A 41 -13.362 2.245 6.455 1.00 0.00 C ATOM 0 H LEU A 41 -17.073 3.703 5.022 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.445 4.251 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.993 4.203 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -13.678 4.523 5.322 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.346 2.052 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.827 0.824 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.767 2.055 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.061 2.359 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.211 1.170 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.422 2.719 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -13.704 2.653 7.406 1.00 0.00 H new ATOM 605 N THR A 42 -16.133 6.882 5.395 1.00 0.00 N ATOM 606 CA THR A 42 -16.024 8.335 5.336 1.00 0.00 C ATOM 607 C THR A 42 -16.428 8.970 6.662 1.00 0.00 C ATOM 608 O THR A 42 -15.971 10.060 7.005 1.00 0.00 O ATOM 609 CB THR A 42 -16.901 8.919 4.213 1.00 0.00 C ATOM 610 OG1 THR A 42 -18.262 8.511 4.391 1.00 0.00 O ATOM 611 CG2 THR A 42 -16.405 8.468 2.849 1.00 0.00 C ATOM 0 H THR A 42 -16.801 6.482 4.736 1.00 0.00 H new ATOM 0 HA THR A 42 -14.979 8.566 5.128 1.00 0.00 H new ATOM 0 HB THR A 42 -16.839 10.006 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.293 7.716 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.040 8.893 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.379 8.807 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.439 7.380 2.791 1.00 0.00 H new ATOM 619 N LYS A 43 -17.286 8.280 7.407 1.00 0.00 N ATOM 620 CA LYS A 43 -17.751 8.775 8.698 1.00 0.00 C ATOM 621 C LYS A 43 -16.763 8.418 9.804 1.00 0.00 C ATOM 622 O LYS A 43 -16.508 9.220 10.703 1.00 0.00 O ATOM 623 CB LYS A 43 -19.128 8.194 9.023 1.00 0.00 C ATOM 624 CG LYS A 43 -20.114 8.282 7.871 1.00 0.00 C ATOM 625 CD LYS A 43 -20.493 9.722 7.570 1.00 0.00 C ATOM 626 CE LYS A 43 -21.424 10.287 8.630 1.00 0.00 C ATOM 627 NZ LYS A 43 -22.855 10.041 8.300 1.00 0.00 N ATOM 0 H LYS A 43 -17.674 7.376 7.138 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.826 9.861 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.013 7.149 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.541 8.720 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.678 7.826 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.011 7.712 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.592 10.332 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.976 9.776 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.191 9.837 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.253 11.359 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.457 10.441 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.084 10.492 7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.024 9.017 8.231 1.00 0.00 H new ATOM 641 N VAL A 44 -16.208 7.213 9.730 1.00 0.00 N ATOM 642 CA VAL A 44 -15.245 6.753 10.724 1.00 0.00 C ATOM 643 C VAL A 44 -14.010 7.645 10.748 1.00 0.00 C ATOM 644 O VAL A 44 -13.611 8.144 11.801 1.00 0.00 O ATOM 645 CB VAL A 44 -14.810 5.299 10.453 1.00 0.00 C ATOM 646 CG1 VAL A 44 -13.946 4.779 11.591 1.00 0.00 C ATOM 647 CG2 VAL A 44 -16.027 4.410 10.247 1.00 0.00 C ATOM 0 H VAL A 44 -16.408 6.538 8.992 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.743 6.802 11.693 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.215 5.280 9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.649 3.751 11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.057 5.402 11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.513 4.811 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.702 3.387 10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.650 4.433 11.141 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -16.602 4.772 9.395 1.00 0.00 H new ATOM 657 N THR A 45 -13.407 7.844 9.580 1.00 0.00 N ATOM 658 CA THR A 45 -12.216 8.675 9.466 1.00 0.00 C ATOM 659 C THR A 45 -12.585 10.149 9.343 1.00 0.00 C ATOM 660 O THR A 45 -12.003 11.003 10.010 1.00 0.00 O ATOM 661 CB THR A 45 -11.361 8.269 8.251 1.00 0.00 C ATOM 662 OG1 THR A 45 -11.978 8.727 7.042 1.00 0.00 O ATOM 663 CG2 THR A 45 -11.184 6.760 8.195 1.00 0.00 C ATOM 0 H THR A 45 -13.725 7.440 8.699 1.00 0.00 H new ATOM 0 HA THR A 45 -11.636 8.522 10.376 1.00 0.00 H new ATOM 0 HB THR A 45 -10.379 8.731 8.355 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.796 8.212 6.877 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.577 6.497 7.329 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.688 6.418 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.160 6.282 8.113 1.00 0.00 H new ATOM 671 N GLY A 46 -13.557 10.442 8.485 1.00 0.00 N ATOM 672 CA GLY A 46 -13.988 11.815 8.291 1.00 0.00 C ATOM 673 C GLY A 46 -13.272 12.489 7.137 1.00 0.00 C ATOM 674 O GLY A 46 -13.193 13.717 7.078 1.00 0.00 O ATOM 0 H GLY A 46 -14.054 9.753 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.062 11.833 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.810 12.381 9.205 1.00 0.00 H new ATOM 678 N LEU A 47 -12.748 11.686 6.217 1.00 0.00 N ATOM 679 CA LEU A 47 -12.034 12.212 5.060 1.00 0.00 C ATOM 680 C LEU A 47 -12.936 12.244 3.831 1.00 0.00 C ATOM 681 O LEU A 47 -14.018 11.655 3.827 1.00 0.00 O ATOM 682 CB LEU A 47 -10.792 11.365 4.773 1.00 0.00 C ATOM 683 CG LEU A 47 -9.780 11.252 5.913 1.00 0.00 C ATOM 684 CD1 LEU A 47 -8.958 9.980 5.772 1.00 0.00 C ATOM 685 CD2 LEU A 47 -8.873 12.474 5.944 1.00 0.00 C ATOM 0 H LEU A 47 -12.805 10.668 6.250 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.726 13.232 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.116 10.361 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.285 11.783 3.903 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.326 11.205 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.243 9.916 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.620 9.114 5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.422 9.997 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.159 12.376 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.335 12.552 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.475 13.370 6.093 1.00 0.00 H new ATOM 697 N SER A 48 -12.483 12.933 2.788 1.00 0.00 N ATOM 698 CA SER A 48 -13.251 13.043 1.552 1.00 0.00 C ATOM 699 C SER A 48 -13.346 11.692 0.850 1.00 0.00 C ATOM 700 O SER A 48 -12.388 10.919 0.832 1.00 0.00 O ATOM 701 CB SER A 48 -12.612 14.072 0.619 1.00 0.00 C ATOM 702 OG SER A 48 -12.821 15.390 1.094 1.00 0.00 O ATOM 0 H SER A 48 -11.589 13.423 2.774 1.00 0.00 H new ATOM 0 HA SER A 48 -14.258 13.372 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.543 13.877 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.033 13.972 -0.381 1.00 0.00 H new ATOM 0 HG SER A 48 -12.401 16.029 0.481 1.00 0.00 H new ATOM 708 N THR A 49 -14.510 11.413 0.271 1.00 0.00 N ATOM 709 CA THR A 49 -14.732 10.156 -0.432 1.00 0.00 C ATOM 710 C THR A 49 -13.499 9.745 -1.228 1.00 0.00 C ATOM 711 O THR A 49 -13.130 8.572 -1.257 1.00 0.00 O ATOM 712 CB THR A 49 -15.937 10.252 -1.387 1.00 0.00 C ATOM 713 OG1 THR A 49 -17.132 10.514 -0.643 1.00 0.00 O ATOM 714 CG2 THR A 49 -16.100 8.966 -2.183 1.00 0.00 C ATOM 0 H THR A 49 -15.314 12.041 0.275 1.00 0.00 H new ATOM 0 HA THR A 49 -14.938 9.402 0.327 1.00 0.00 H new ATOM 0 HB THR A 49 -15.757 11.071 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.893 10.575 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.957 9.057 -2.850 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.200 8.785 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.260 8.133 -1.499 1.00 0.00 H new ATOM 722 N ARG A 50 -12.865 10.720 -1.871 1.00 0.00 N ATOM 723 CA ARG A 50 -11.671 10.459 -2.668 1.00 0.00 C ATOM 724 C ARG A 50 -10.491 10.091 -1.774 1.00 0.00 C ATOM 725 O ARG A 50 -9.758 9.144 -2.057 1.00 0.00 O ATOM 726 CB ARG A 50 -11.321 11.682 -3.517 1.00 0.00 C ATOM 727 CG ARG A 50 -10.855 12.877 -2.699 1.00 0.00 C ATOM 728 CD ARG A 50 -10.872 14.155 -3.522 1.00 0.00 C ATOM 729 NE ARG A 50 -10.445 15.314 -2.742 1.00 0.00 N ATOM 730 CZ ARG A 50 -10.232 16.515 -3.267 1.00 0.00 C ATOM 731 NH1 ARG A 50 -10.405 16.715 -4.567 1.00 0.00 N ATOM 732 NH2 ARG A 50 -9.845 17.520 -2.492 1.00 0.00 N ATOM 0 H ARG A 50 -13.157 11.697 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.881 9.617 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.539 11.410 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.195 11.971 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.498 12.996 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.846 12.695 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.218 14.039 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.878 14.326 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.303 15.194 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.702 15.945 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.241 17.639 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.711 17.370 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.682 18.442 -2.896 1.00 0.00 H new ATOM 746 N GLU A 51 -10.313 10.847 -0.695 1.00 0.00 N ATOM 747 CA GLU A 51 -9.220 10.601 0.238 1.00 0.00 C ATOM 748 C GLU A 51 -9.277 9.174 0.777 1.00 0.00 C ATOM 749 O GLU A 51 -8.250 8.508 0.909 1.00 0.00 O ATOM 750 CB GLU A 51 -9.275 11.598 1.397 1.00 0.00 C ATOM 751 CG GLU A 51 -8.601 12.925 1.091 1.00 0.00 C ATOM 752 CD GLU A 51 -8.796 13.947 2.194 1.00 0.00 C ATOM 753 OE1 GLU A 51 -8.425 13.650 3.349 1.00 0.00 O ATOM 754 OE2 GLU A 51 -9.320 15.042 1.903 1.00 0.00 O ATOM 0 H GLU A 51 -10.911 11.634 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.281 10.732 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.317 11.781 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.801 11.152 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.534 12.760 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.999 13.323 0.157 1.00 0.00 H new ATOM 761 N VAL A 52 -10.483 8.712 1.088 1.00 0.00 N ATOM 762 CA VAL A 52 -10.675 7.365 1.612 1.00 0.00 C ATOM 763 C VAL A 52 -10.300 6.314 0.574 1.00 0.00 C ATOM 764 O VAL A 52 -9.641 5.324 0.890 1.00 0.00 O ATOM 765 CB VAL A 52 -12.133 7.137 2.055 1.00 0.00 C ATOM 766 CG1 VAL A 52 -12.328 5.707 2.533 1.00 0.00 C ATOM 767 CG2 VAL A 52 -12.520 8.129 3.141 1.00 0.00 C ATOM 0 H VAL A 52 -11.343 9.251 0.986 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.021 7.266 2.478 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.786 7.300 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.364 5.565 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.093 5.017 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.667 5.513 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.553 7.954 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.864 8.000 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.421 9.145 2.758 1.00 0.00 H new ATOM 777 N ARG A 53 -10.725 6.535 -0.665 1.00 0.00 N ATOM 778 CA ARG A 53 -10.435 5.606 -1.750 1.00 0.00 C ATOM 779 C ARG A 53 -8.993 5.761 -2.228 1.00 0.00 C ATOM 780 O ARG A 53 -8.459 4.891 -2.917 1.00 0.00 O ATOM 781 CB ARG A 53 -11.397 5.833 -2.917 1.00 0.00 C ATOM 782 CG ARG A 53 -12.767 5.210 -2.707 1.00 0.00 C ATOM 783 CD ARG A 53 -13.766 5.695 -3.746 1.00 0.00 C ATOM 784 NE ARG A 53 -13.457 5.188 -5.080 1.00 0.00 N ATOM 785 CZ ARG A 53 -13.865 5.772 -6.202 1.00 0.00 C ATOM 786 NH1 ARG A 53 -14.596 6.877 -6.149 1.00 0.00 N ATOM 787 NH2 ARG A 53 -13.542 5.250 -7.378 1.00 0.00 N ATOM 0 H ARG A 53 -11.272 7.350 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.568 4.593 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.515 6.905 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.956 5.423 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.686 4.124 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.130 5.456 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.769 5.377 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.770 6.785 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.897 4.339 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.846 7.280 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.908 7.324 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.980 4.400 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.856 5.699 -8.239 1.00 0.00 H new ATOM 801 N LYS A 54 -8.369 6.874 -1.857 1.00 0.00 N ATOM 802 CA LYS A 54 -6.990 7.144 -2.246 1.00 0.00 C ATOM 803 C LYS A 54 -6.018 6.318 -1.410 1.00 0.00 C ATOM 804 O LYS A 54 -4.952 5.928 -1.887 1.00 0.00 O ATOM 805 CB LYS A 54 -6.677 8.634 -2.089 1.00 0.00 C ATOM 806 CG LYS A 54 -5.389 9.060 -2.772 1.00 0.00 C ATOM 807 CD LYS A 54 -5.627 9.436 -4.225 1.00 0.00 C ATOM 808 CE LYS A 54 -5.981 10.908 -4.368 1.00 0.00 C ATOM 809 NZ LYS A 54 -4.790 11.785 -4.197 1.00 0.00 N ATOM 0 H LYS A 54 -8.797 7.604 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.871 6.863 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.504 9.215 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.612 8.873 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.958 9.909 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.663 8.249 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.734 9.217 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.433 8.825 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.422 11.082 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.736 11.173 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.020 12.748 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.516 11.807 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.001 11.413 -4.763 1.00 0.00 H new ATOM 823 N TRP A 55 -6.393 6.055 -0.164 1.00 0.00 N ATOM 824 CA TRP A 55 -5.553 5.274 0.738 1.00 0.00 C ATOM 825 C TRP A 55 -5.472 3.821 0.284 1.00 0.00 C ATOM 826 O TRP A 55 -4.405 3.206 0.323 1.00 0.00 O ATOM 827 CB TRP A 55 -6.097 5.346 2.165 1.00 0.00 C ATOM 828 CG TRP A 55 -5.180 4.735 3.182 1.00 0.00 C ATOM 829 CD1 TRP A 55 -4.345 5.397 4.036 1.00 0.00 C ATOM 830 CD2 TRP A 55 -5.005 3.339 3.449 1.00 0.00 C ATOM 831 NE1 TRP A 55 -3.662 4.497 4.817 1.00 0.00 N ATOM 832 CE2 TRP A 55 -4.049 3.229 4.478 1.00 0.00 C ATOM 833 CE3 TRP A 55 -5.564 2.173 2.922 1.00 0.00 C ATOM 834 CZ2 TRP A 55 -3.642 1.998 4.985 1.00 0.00 C ATOM 835 CZ3 TRP A 55 -5.159 0.952 3.426 1.00 0.00 C ATOM 836 CH2 TRP A 55 -4.205 0.872 4.450 1.00 0.00 C ATOM 0 H TRP A 55 -7.272 6.370 0.245 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.549 5.698 0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.274 6.389 2.426 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -7.061 4.839 2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -4.237 6.470 4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.977 4.735 5.534 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.300 2.225 2.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.907 1.934 5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.584 0.044 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.909 -0.097 4.824 1.00 0.00 H new ATOM 847 N PHE A 56 -6.605 3.276 -0.146 1.00 0.00 N ATOM 848 CA PHE A 56 -6.662 1.893 -0.606 1.00 0.00 C ATOM 849 C PHE A 56 -5.530 1.599 -1.586 1.00 0.00 C ATOM 850 O PHE A 56 -4.917 0.533 -1.540 1.00 0.00 O ATOM 851 CB PHE A 56 -8.012 1.609 -1.269 1.00 0.00 C ATOM 852 CG PHE A 56 -9.070 1.157 -0.303 1.00 0.00 C ATOM 853 CD1 PHE A 56 -9.235 -0.188 -0.016 1.00 0.00 C ATOM 854 CD2 PHE A 56 -9.899 2.077 0.316 1.00 0.00 C ATOM 855 CE1 PHE A 56 -10.208 -0.607 0.872 1.00 0.00 C ATOM 856 CE2 PHE A 56 -10.875 1.665 1.205 1.00 0.00 C ATOM 857 CZ PHE A 56 -11.029 0.321 1.484 1.00 0.00 C ATOM 0 H PHE A 56 -7.496 3.771 -0.186 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.547 1.243 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -8.356 2.510 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.879 0.844 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.596 -0.918 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.782 3.129 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.326 -1.659 1.087 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.516 2.393 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.789 -0.004 2.179 1.00 0.00 H new ATOM 867 N SER A 57 -5.260 2.552 -2.472 1.00 0.00 N ATOM 868 CA SER A 57 -4.205 2.395 -3.467 1.00 0.00 C ATOM 869 C SER A 57 -2.831 2.380 -2.803 1.00 0.00 C ATOM 870 O SER A 57 -1.966 1.581 -3.161 1.00 0.00 O ATOM 871 CB SER A 57 -4.275 3.524 -4.497 1.00 0.00 C ATOM 872 OG SER A 57 -5.434 3.407 -5.304 1.00 0.00 O ATOM 0 H SER A 57 -5.757 3.441 -2.521 1.00 0.00 H new ATOM 0 HA SER A 57 -4.355 1.442 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.280 4.487 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.386 3.502 -5.127 1.00 0.00 H new ATOM 0 HG SER A 57 -5.456 4.141 -5.953 1.00 0.00 H new ATOM 878 N ASP A 58 -2.639 3.270 -1.836 1.00 0.00 N ATOM 879 CA ASP A 58 -1.371 3.359 -1.121 1.00 0.00 C ATOM 880 C ASP A 58 -0.912 1.982 -0.654 1.00 0.00 C ATOM 881 O ASP A 58 0.139 1.493 -1.068 1.00 0.00 O ATOM 882 CB ASP A 58 -1.503 4.300 0.078 1.00 0.00 C ATOM 883 CG ASP A 58 -0.205 4.441 0.849 1.00 0.00 C ATOM 884 OD1 ASP A 58 0.246 3.438 1.439 1.00 0.00 O ATOM 885 OD2 ASP A 58 0.359 5.556 0.862 1.00 0.00 O ATOM 0 H ASP A 58 -3.345 3.940 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.623 3.758 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.825 5.282 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.280 3.927 0.745 1.00 0.00 H new ATOM 890 N ARG A 59 -1.707 1.361 0.212 1.00 0.00 N ATOM 891 CA ARG A 59 -1.381 0.040 0.737 1.00 0.00 C ATOM 892 C ARG A 59 -0.996 -0.913 -0.390 1.00 0.00 C ATOM 893 O ARG A 59 0.025 -1.596 -0.317 1.00 0.00 O ATOM 894 CB ARG A 59 -2.567 -0.529 1.519 1.00 0.00 C ATOM 895 CG ARG A 59 -2.369 -1.968 1.965 1.00 0.00 C ATOM 896 CD ARG A 59 -1.299 -2.074 3.041 1.00 0.00 C ATOM 897 NE ARG A 59 -1.806 -1.690 4.356 1.00 0.00 N ATOM 898 CZ ARG A 59 -2.572 -2.475 5.106 1.00 0.00 C ATOM 899 NH1 ARG A 59 -2.919 -3.679 4.673 1.00 0.00 N ATOM 900 NH2 ARG A 59 -2.994 -2.054 6.292 1.00 0.00 N ATOM 0 H ARG A 59 -2.581 1.751 0.565 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.529 0.144 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.745 0.093 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.462 -0.470 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.310 -2.365 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.088 -2.580 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.925 -3.097 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.455 -1.436 2.777 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.559 -0.769 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.598 -4.005 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.507 -4.279 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.730 -1.128 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.582 -2.657 6.868 1.00 0.00 H new ATOM 914 N ARG A 60 -1.822 -0.955 -1.431 1.00 0.00 N ATOM 915 CA ARG A 60 -1.569 -1.826 -2.572 1.00 0.00 C ATOM 916 C ARG A 60 -0.150 -1.633 -3.100 1.00 0.00 C ATOM 917 O ARG A 60 0.597 -2.596 -3.270 1.00 0.00 O ATOM 918 CB ARG A 60 -2.581 -1.550 -3.685 1.00 0.00 C ATOM 919 CG ARG A 60 -4.009 -1.915 -3.315 1.00 0.00 C ATOM 920 CD ARG A 60 -4.328 -3.356 -3.679 1.00 0.00 C ATOM 921 NE ARG A 60 -4.228 -3.592 -5.118 1.00 0.00 N ATOM 922 CZ ARG A 60 -5.196 -3.303 -5.979 1.00 0.00 C ATOM 923 NH1 ARG A 60 -6.332 -2.769 -5.550 1.00 0.00 N ATOM 924 NH2 ARG A 60 -5.030 -3.546 -7.273 1.00 0.00 N ATOM 0 H ARG A 60 -2.672 -0.396 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.677 -2.859 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.541 -0.492 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.291 -2.109 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.158 -1.767 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.701 -1.247 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.644 -4.023 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.335 -3.601 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.367 -4.001 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.463 -2.580 -4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.074 -2.548 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.158 -3.955 -7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.775 -3.323 -7.933 1.00 0.00 H new ATOM 938 N TYR A 61 0.214 -0.382 -3.357 1.00 0.00 N ATOM 939 CA TYR A 61 1.542 -0.062 -3.869 1.00 0.00 C ATOM 940 C TYR A 61 2.610 -0.900 -3.173 1.00 0.00 C ATOM 941 O TYR A 61 3.554 -1.373 -3.805 1.00 0.00 O ATOM 942 CB TYR A 61 1.841 1.426 -3.677 1.00 0.00 C ATOM 943 CG TYR A 61 3.095 1.888 -4.383 1.00 0.00 C ATOM 944 CD1 TYR A 61 3.079 2.203 -5.736 1.00 0.00 C ATOM 945 CD2 TYR A 61 4.298 2.009 -3.697 1.00 0.00 C ATOM 946 CE1 TYR A 61 4.223 2.624 -6.385 1.00 0.00 C ATOM 947 CE2 TYR A 61 5.446 2.431 -4.338 1.00 0.00 C ATOM 948 CZ TYR A 61 5.404 2.737 -5.682 1.00 0.00 C ATOM 949 OH TYR A 61 6.546 3.158 -6.324 1.00 0.00 O ATOM 0 H TYR A 61 -0.391 0.427 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 61 1.559 -0.295 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.994 2.008 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.937 1.634 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.156 2.117 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.335 1.769 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.193 2.864 -7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.372 2.521 -3.790 1.00 0.00 H new ATOM 0 HH TYR A 61 7.289 3.184 -5.686 1.00 0.00 H new ATOM 959 N HIS A 62 2.453 -1.080 -1.865 1.00 0.00 N ATOM 960 CA HIS A 62 3.402 -1.862 -1.082 1.00 0.00 C ATOM 961 C HIS A 62 3.336 -3.337 -1.463 1.00 0.00 C ATOM 962 O HIS A 62 4.361 -3.970 -1.719 1.00 0.00 O ATOM 963 CB HIS A 62 3.122 -1.696 0.412 1.00 0.00 C ATOM 964 CG HIS A 62 4.085 -2.437 1.288 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.367 -1.996 1.539 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.945 -3.595 1.975 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.975 -2.852 2.341 1.00 0.00 C ATOM 968 NE2 HIS A 62 5.134 -3.831 2.620 1.00 0.00 N ATOM 0 H HIS A 62 1.678 -0.695 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 62 4.405 -1.494 -1.299 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.156 -0.636 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.110 -2.042 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.063 -4.217 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.988 -2.766 2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.335 -4.633 3.218 1.00 0.00 H new ATOM 977 N CYS A 63 2.123 -3.881 -1.498 1.00 0.00 N ATOM 978 CA CYS A 63 1.924 -5.283 -1.846 1.00 0.00 C ATOM 979 C CYS A 63 2.575 -5.609 -3.186 1.00 0.00 C ATOM 980 O CYS A 63 3.234 -6.637 -3.334 1.00 0.00 O ATOM 981 CB CYS A 63 0.430 -5.609 -1.899 1.00 0.00 C ATOM 982 SG CYS A 63 -0.344 -5.270 -3.497 1.00 0.00 S ATOM 0 H CYS A 63 1.264 -3.372 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 63 2.396 -5.893 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.290 -6.662 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.084 -5.033 -1.129 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.218 -4.008 -3.781 1.00 0.00 H new ATOM 988 N ARG A 64 2.383 -4.726 -4.161 1.00 0.00 N ATOM 989 CA ARG A 64 2.949 -4.921 -5.491 1.00 0.00 C ATOM 990 C ARG A 64 4.465 -4.745 -5.467 1.00 0.00 C ATOM 991 O ARG A 64 5.183 -5.362 -6.253 1.00 0.00 O ATOM 992 CB ARG A 64 2.327 -3.937 -6.483 1.00 0.00 C ATOM 993 CG ARG A 64 2.544 -2.480 -6.112 1.00 0.00 C ATOM 994 CD ARG A 64 2.137 -1.550 -7.246 1.00 0.00 C ATOM 995 NE ARG A 64 2.902 -1.806 -8.464 1.00 0.00 N ATOM 996 CZ ARG A 64 2.960 -0.960 -9.486 1.00 0.00 C ATOM 997 NH1 ARG A 64 2.302 0.190 -9.438 1.00 0.00 N ATOM 998 NH2 ARG A 64 3.677 -1.264 -10.561 1.00 0.00 N ATOM 0 H ARG A 64 1.840 -3.869 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 64 2.723 -5.939 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.747 -4.118 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.256 -4.130 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.967 -2.241 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.594 -2.318 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.074 -1.674 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.283 -0.515 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 64 3.420 -2.682 -8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.749 0.427 -8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.349 0.838 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.184 -2.148 -10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.721 -0.614 -11.345 1.00 0.00 H new ATOM 1012 N ASN A 65 4.944 -3.900 -4.560 1.00 0.00 N ATOM 1013 CA ASN A 65 6.374 -3.642 -4.435 1.00 0.00 C ATOM 1014 C ASN A 65 7.120 -4.905 -4.020 1.00 0.00 C ATOM 1015 O ASN A 65 8.132 -5.267 -4.621 1.00 0.00 O ATOM 1016 CB ASN A 65 6.625 -2.530 -3.415 1.00 0.00 C ATOM 1017 CG ASN A 65 7.952 -1.830 -3.637 1.00 0.00 C ATOM 1018 OD1 ASN A 65 8.771 -2.271 -4.443 1.00 0.00 O ATOM 1019 ND2 ASN A 65 8.171 -0.734 -2.920 1.00 0.00 N ATOM 0 H ASN A 65 4.363 -3.382 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 65 6.747 -3.324 -5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.818 -1.799 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.603 -2.951 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.047 -0.222 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.464 -0.404 -2.263 1.00 0.00 H new ATOM 1026 N LEU A 66 6.613 -5.574 -2.991 1.00 0.00 N ATOM 1027 CA LEU A 66 7.231 -6.800 -2.496 1.00 0.00 C ATOM 1028 C LEU A 66 7.585 -7.736 -3.647 1.00 0.00 C ATOM 1029 O LEU A 66 8.587 -8.449 -3.596 1.00 0.00 O ATOM 1030 CB LEU A 66 6.291 -7.509 -1.518 1.00 0.00 C ATOM 1031 CG LEU A 66 6.431 -7.114 -0.047 1.00 0.00 C ATOM 1032 CD1 LEU A 66 7.825 -7.441 0.463 1.00 0.00 C ATOM 1033 CD2 LEU A 66 6.127 -5.635 0.140 1.00 0.00 C ATOM 0 H LEU A 66 5.776 -5.289 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 66 8.150 -6.530 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.264 -7.317 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.454 -8.583 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 66 5.709 -7.689 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.906 -7.153 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.006 -8.511 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.564 -6.893 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.232 -5.372 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.824 -5.043 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.107 -5.429 -0.186 1.00 0.00 H new ATOM 1045 N LYS A 67 6.757 -7.726 -4.686 1.00 0.00 N ATOM 1046 CA LYS A 67 6.984 -8.570 -5.853 1.00 0.00 C ATOM 1047 C LYS A 67 7.317 -9.999 -5.435 1.00 0.00 C ATOM 1048 O LYS A 67 8.175 -10.647 -6.033 1.00 0.00 O ATOM 1049 CB LYS A 67 8.117 -8.000 -6.709 1.00 0.00 C ATOM 1050 CG LYS A 67 7.686 -6.847 -7.598 1.00 0.00 C ATOM 1051 CD LYS A 67 6.810 -7.324 -8.745 1.00 0.00 C ATOM 1052 CE LYS A 67 7.643 -7.901 -9.879 1.00 0.00 C ATOM 1053 NZ LYS A 67 8.449 -6.854 -10.565 1.00 0.00 N ATOM 0 H LYS A 67 5.922 -7.142 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 67 6.067 -8.587 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.921 -7.663 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.526 -8.795 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.142 -6.113 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.567 -6.345 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.114 -8.080 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.212 -6.492 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.307 -8.671 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.986 -8.385 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.727 -7.193 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.882 -5.987 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.301 -6.650 -10.005 1.00 0.00 H new ATOM 1067 N GLY A 68 6.632 -10.484 -4.404 1.00 0.00 N ATOM 1068 CA GLY A 68 6.870 -11.833 -3.924 1.00 0.00 C ATOM 1069 C GLY A 68 6.210 -12.097 -2.585 1.00 0.00 C ATOM 1070 O GLY A 68 6.220 -11.241 -1.701 1.00 0.00 O ATOM 0 H GLY A 68 5.917 -9.967 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.496 -12.547 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.944 -12.000 -3.836 1.00 0.00 H new ATOM 1074 N SER A 69 5.633 -13.285 -2.437 1.00 0.00 N ATOM 1075 CA SER A 69 4.960 -13.659 -1.197 1.00 0.00 C ATOM 1076 C SER A 69 5.973 -14.058 -0.128 1.00 0.00 C ATOM 1077 O SER A 69 6.945 -14.759 -0.409 1.00 0.00 O ATOM 1078 CB SER A 69 3.986 -14.811 -1.448 1.00 0.00 C ATOM 1079 OG SER A 69 2.757 -14.335 -1.970 1.00 0.00 O ATOM 0 H SER A 69 5.618 -14.005 -3.159 1.00 0.00 H new ATOM 0 HA SER A 69 4.403 -12.793 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.430 -15.522 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.806 -15.348 -0.517 1.00 0.00 H new ATOM 0 HG SER A 69 2.152 -15.091 -2.123 1.00 0.00 H new ATOM 1085 N ARG A 70 5.737 -13.605 1.099 1.00 0.00 N ATOM 1086 CA ARG A 70 6.629 -13.913 2.212 1.00 0.00 C ATOM 1087 C ARG A 70 8.089 -13.797 1.785 1.00 0.00 C ATOM 1088 O ARG A 70 8.895 -14.690 2.048 1.00 0.00 O ATOM 1089 CB ARG A 70 6.350 -15.320 2.741 1.00 0.00 C ATOM 1090 CG ARG A 70 5.062 -15.427 3.541 1.00 0.00 C ATOM 1091 CD ARG A 70 5.135 -16.546 4.568 1.00 0.00 C ATOM 1092 NE ARG A 70 6.238 -16.355 5.507 1.00 0.00 N ATOM 1093 CZ ARG A 70 6.742 -17.330 6.256 1.00 0.00 C ATOM 1094 NH1 ARG A 70 6.247 -18.557 6.174 1.00 0.00 N ATOM 1095 NH2 ARG A 70 7.746 -17.078 7.086 1.00 0.00 N ATOM 0 H ARG A 70 4.937 -13.024 1.348 1.00 0.00 H new ATOM 0 HA ARG A 70 6.443 -13.191 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.304 -16.012 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.184 -15.635 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.866 -14.481 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.226 -15.606 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.195 -16.596 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.256 -17.501 4.056 1.00 0.00 H new ATOM 0 HE ARG A 70 6.643 -15.423 5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.477 -18.755 5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.636 -19.303 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.131 -16.136 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.133 -17.827 7.661 1.00 0.00 H new ATOM 1109 N SER A 71 8.422 -12.691 1.127 1.00 0.00 N ATOM 1110 CA SER A 71 9.785 -12.461 0.661 1.00 0.00 C ATOM 1111 C SER A 71 10.424 -11.294 1.406 1.00 0.00 C ATOM 1112 O SER A 71 10.203 -10.131 1.068 1.00 0.00 O ATOM 1113 CB SER A 71 9.792 -12.186 -0.844 1.00 0.00 C ATOM 1114 OG SER A 71 9.629 -13.384 -1.583 1.00 0.00 O ATOM 0 H SER A 71 7.768 -11.941 0.905 1.00 0.00 H new ATOM 0 HA SER A 71 10.368 -13.360 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.991 -11.490 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.730 -11.707 -1.125 1.00 0.00 H new ATOM 0 HG SER A 71 8.810 -13.838 -1.294 1.00 0.00 H new ATOM 1120 N GLY A 72 11.218 -11.612 2.424 1.00 0.00 N ATOM 1121 CA GLY A 72 11.877 -10.579 3.202 1.00 0.00 C ATOM 1122 C GLY A 72 11.801 -10.839 4.693 1.00 0.00 C ATOM 1123 O GLY A 72 11.090 -10.154 5.429 1.00 0.00 O ATOM 0 H GLY A 72 11.417 -12.566 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.922 -10.513 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.420 -9.615 2.981 1.00 0.00 H new ATOM 1127 N PRO A 73 12.545 -11.853 5.161 1.00 0.00 N ATOM 1128 CA PRO A 73 12.575 -12.226 6.578 1.00 0.00 C ATOM 1129 C PRO A 73 13.280 -11.182 7.437 1.00 0.00 C ATOM 1130 O PRO A 73 14.340 -10.677 7.070 1.00 0.00 O ATOM 1131 CB PRO A 73 13.358 -13.541 6.582 1.00 0.00 C ATOM 1132 CG PRO A 73 14.209 -13.478 5.362 1.00 0.00 C ATOM 1133 CD PRO A 73 13.415 -12.712 4.340 1.00 0.00 C ATOM 0 HA PRO A 73 11.573 -12.310 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.964 -13.638 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.688 -14.401 6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.156 -12.981 5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.447 -14.478 5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.060 -12.124 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.835 -13.377 3.700 1.00 0.00 H new ATOM 1141 N SER A 74 12.685 -10.866 8.583 1.00 0.00 N ATOM 1142 CA SER A 74 13.255 -9.880 9.493 1.00 0.00 C ATOM 1143 C SER A 74 12.961 -10.246 10.945 1.00 0.00 C ATOM 1144 O SER A 74 11.868 -10.712 11.269 1.00 0.00 O ATOM 1145 CB SER A 74 12.701 -8.488 9.184 1.00 0.00 C ATOM 1146 OG SER A 74 13.305 -7.504 10.005 1.00 0.00 O ATOM 0 H SER A 74 11.809 -11.279 8.903 1.00 0.00 H new ATOM 0 HA SER A 74 14.336 -9.873 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.876 -8.248 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.622 -8.481 9.337 1.00 0.00 H new ATOM 0 HG SER A 74 12.935 -6.623 9.786 1.00 0.00 H new ATOM 1152 N SER A 75 13.945 -10.033 11.813 1.00 0.00 N ATOM 1153 CA SER A 75 13.793 -10.344 13.230 1.00 0.00 C ATOM 1154 C SER A 75 14.562 -9.346 14.090 1.00 0.00 C ATOM 1155 O SER A 75 15.709 -9.010 13.797 1.00 0.00 O ATOM 1156 CB SER A 75 14.283 -11.765 13.517 1.00 0.00 C ATOM 1157 OG SER A 75 15.679 -11.877 13.300 1.00 0.00 O ATOM 0 H SER A 75 14.855 -9.647 11.561 1.00 0.00 H new ATOM 0 HA SER A 75 12.735 -10.274 13.481 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.049 -12.032 14.548 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.755 -12.471 12.877 1.00 0.00 H new ATOM 0 HG SER A 75 15.967 -12.794 13.492 1.00 0.00 H new ATOM 1163 N GLY A 76 13.920 -8.875 15.155 1.00 0.00 N ATOM 1164 CA GLY A 76 14.558 -7.920 16.042 1.00 0.00 C ATOM 1165 C GLY A 76 14.102 -8.070 17.480 1.00 0.00 C ATOM 1166 O GLY A 76 14.580 -7.364 18.367 1.00 0.00 O ATOM 0 H GLY A 76 12.970 -9.138 15.419 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.639 -8.048 15.992 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.341 -6.909 15.699 1.00 0.00 H new TER 1170 GLY A 76