USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.01) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0.873 (180deg=0.791) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 50 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.8) USER MOD Single : A 51 THR OG1 : rot 164:sc= 1.2 USER MOD Single : A 57 ASN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 60 CYS SG : rot 10:sc= 0.389 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.247 X(o=-0.25,f=0.053) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.47) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 28.340 -3.936 30.286 1.00 0.00 N ATOM 2 CA HIS A 8 29.264 -4.478 29.250 1.00 0.00 C ATOM 3 C HIS A 8 28.602 -4.381 27.875 1.00 0.00 C ATOM 4 O HIS A 8 28.109 -5.356 27.342 1.00 0.00 O ATOM 5 CB HIS A 8 29.578 -5.943 29.564 1.00 0.00 C ATOM 6 CG HIS A 8 30.880 -6.026 30.313 1.00 0.00 C ATOM 7 ND1 HIS A 8 30.990 -6.669 31.536 1.00 0.00 N ATOM 8 CD2 HIS A 8 32.136 -5.553 30.025 1.00 0.00 C ATOM 9 CE1 HIS A 8 32.270 -6.566 31.935 1.00 0.00 C ATOM 10 NE2 HIS A 8 33.012 -5.894 31.051 1.00 0.00 N ATOM 0 HA HIS A 8 30.188 -3.900 29.249 1.00 0.00 H new ATOM 0 HB2 HIS A 8 28.775 -6.379 30.159 1.00 0.00 H new ATOM 0 HB3 HIS A 8 29.640 -6.519 28.641 1.00 0.00 H new ATOM 0 HD2 HIS A 8 32.404 -5.000 29.137 1.00 0.00 H new ATOM 0 HE1 HIS A 8 32.652 -6.977 32.858 1.00 0.00 H new ATOM 0 HE2 HIS A 8 34.007 -5.677 31.114 1.00 0.00 H new ATOM 20 N MET A 9 28.585 -3.213 27.296 1.00 0.00 N ATOM 21 CA MET A 9 27.955 -3.055 25.955 1.00 0.00 C ATOM 22 C MET A 9 27.917 -1.571 25.580 1.00 0.00 C ATOM 23 O MET A 9 27.363 -0.757 26.292 1.00 0.00 O ATOM 24 CB MET A 9 26.529 -3.608 25.993 1.00 0.00 C ATOM 25 CG MET A 9 26.323 -4.575 24.825 1.00 0.00 C ATOM 26 SD MET A 9 25.289 -3.788 23.565 1.00 0.00 S ATOM 27 CE MET A 9 23.691 -4.342 24.208 1.00 0.00 C ATOM 0 H MET A 9 28.980 -2.361 27.693 1.00 0.00 H new ATOM 0 HA MET A 9 28.537 -3.602 25.214 1.00 0.00 H new ATOM 0 HB2 MET A 9 26.352 -4.121 26.938 1.00 0.00 H new ATOM 0 HB3 MET A 9 25.810 -2.791 25.934 1.00 0.00 H new ATOM 0 HG2 MET A 9 27.285 -4.856 24.397 1.00 0.00 H new ATOM 0 HG3 MET A 9 25.851 -5.492 25.177 1.00 0.00 H new ATOM 0 HE1 MET A 9 22.892 -3.964 23.571 1.00 0.00 H new ATOM 0 HE2 MET A 9 23.661 -5.432 24.219 1.00 0.00 H new ATOM 0 HE3 MET A 9 23.556 -3.965 25.222 1.00 0.00 H new ATOM 37 N VAL A 10 28.499 -1.215 24.469 1.00 0.00 N ATOM 38 CA VAL A 10 28.496 0.215 24.052 1.00 0.00 C ATOM 39 C VAL A 10 27.196 0.524 23.306 1.00 0.00 C ATOM 40 O VAL A 10 26.474 -0.366 22.902 1.00 0.00 O ATOM 41 CB VAL A 10 29.688 0.483 23.132 1.00 0.00 C ATOM 42 CG1 VAL A 10 30.989 0.313 23.917 1.00 0.00 C ATOM 43 CG2 VAL A 10 29.665 -0.509 21.967 1.00 0.00 C ATOM 0 H VAL A 10 28.977 -1.852 23.832 1.00 0.00 H new ATOM 0 HA VAL A 10 28.570 0.851 24.934 1.00 0.00 H new ATOM 0 HB VAL A 10 29.626 1.501 22.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 31.838 0.504 23.260 1.00 0.00 H new ATOM 0 HG12 VAL A 10 31.007 1.018 24.748 1.00 0.00 H new ATOM 0 HG13 VAL A 10 31.051 -0.705 24.303 1.00 0.00 H new ATOM 0 HG21 VAL A 10 30.514 -0.319 21.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 29.726 -1.526 22.354 1.00 0.00 H new ATOM 0 HG23 VAL A 10 28.738 -0.389 21.406 1.00 0.00 H new ATOM 53 N GLU A 11 26.891 1.779 23.120 1.00 0.00 N ATOM 54 CA GLU A 11 25.637 2.143 22.402 1.00 0.00 C ATOM 55 C GLU A 11 24.443 1.474 23.087 1.00 0.00 C ATOM 56 O GLU A 11 24.217 0.289 22.942 1.00 0.00 O ATOM 57 CB GLU A 11 25.725 1.666 20.950 1.00 0.00 C ATOM 58 CG GLU A 11 25.431 2.835 20.008 1.00 0.00 C ATOM 59 CD GLU A 11 24.932 2.297 18.666 1.00 0.00 C ATOM 60 OE1 GLU A 11 25.716 1.674 17.971 1.00 0.00 O ATOM 61 OE2 GLU A 11 23.772 2.518 18.357 1.00 0.00 O ATOM 0 H GLU A 11 27.456 2.568 23.434 1.00 0.00 H new ATOM 0 HA GLU A 11 25.507 3.225 22.423 1.00 0.00 H new ATOM 0 HB2 GLU A 11 26.718 1.264 20.748 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.013 0.859 20.778 1.00 0.00 H new ATOM 0 HG2 GLU A 11 24.682 3.492 20.450 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.331 3.432 19.860 1.00 0.00 H new ATOM 68 N GLU A 12 23.677 2.225 23.831 1.00 0.00 N ATOM 69 CA GLU A 12 22.499 1.630 24.524 1.00 0.00 C ATOM 70 C GLU A 12 21.480 2.730 24.829 1.00 0.00 C ATOM 71 O GLU A 12 21.831 3.872 25.051 1.00 0.00 O ATOM 72 CB GLU A 12 22.951 0.977 25.831 1.00 0.00 C ATOM 73 CG GLU A 12 23.638 2.020 26.715 1.00 0.00 C ATOM 74 CD GLU A 12 25.048 1.542 27.065 1.00 0.00 C ATOM 75 OE1 GLU A 12 25.244 0.341 27.140 1.00 0.00 O ATOM 76 OE2 GLU A 12 25.909 2.387 27.253 1.00 0.00 O ATOM 0 H GLU A 12 23.816 3.223 23.989 1.00 0.00 H new ATOM 0 HA GLU A 12 22.042 0.877 23.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 22.093 0.552 26.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 23.636 0.156 25.621 1.00 0.00 H new ATOM 0 HG2 GLU A 12 23.685 2.978 26.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 23.060 2.179 27.625 1.00 0.00 H new ATOM 83 N VAL A 13 20.218 2.395 24.842 1.00 0.00 N ATOM 84 CA VAL A 13 19.178 3.421 25.133 1.00 0.00 C ATOM 85 C VAL A 13 19.192 4.486 24.035 1.00 0.00 C ATOM 86 O VAL A 13 20.064 5.331 23.986 1.00 0.00 O ATOM 87 CB VAL A 13 19.473 4.077 26.483 1.00 0.00 C ATOM 88 CG1 VAL A 13 18.291 4.957 26.892 1.00 0.00 C ATOM 89 CG2 VAL A 13 19.690 2.992 27.538 1.00 0.00 C ATOM 0 H VAL A 13 19.863 1.455 24.664 1.00 0.00 H new ATOM 0 HA VAL A 13 18.198 2.946 25.166 1.00 0.00 H new ATOM 0 HB VAL A 13 20.370 4.690 26.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.501 5.424 27.854 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.135 5.730 26.139 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.393 4.345 26.975 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.900 3.458 28.501 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.792 2.379 27.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.532 2.365 27.247 1.00 0.00 H new ATOM 99 N LEU A 14 18.233 4.453 23.151 1.00 0.00 N ATOM 100 CA LEU A 14 18.192 5.462 22.056 1.00 0.00 C ATOM 101 C LEU A 14 16.829 6.154 22.049 1.00 0.00 C ATOM 102 O LEU A 14 15.802 5.525 22.207 1.00 0.00 O ATOM 103 CB LEU A 14 18.418 4.766 20.713 1.00 0.00 C ATOM 104 CG LEU A 14 19.869 4.292 20.619 1.00 0.00 C ATOM 105 CD1 LEU A 14 19.947 2.808 20.981 1.00 0.00 C ATOM 106 CD2 LEU A 14 20.379 4.495 19.190 1.00 0.00 C ATOM 0 H LEU A 14 17.475 3.770 23.140 1.00 0.00 H new ATOM 0 HA LEU A 14 18.974 6.204 22.217 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.741 3.918 20.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.195 5.451 19.895 1.00 0.00 H new ATOM 0 HG LEU A 14 20.484 4.867 21.311 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.981 2.471 20.914 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.583 2.662 21.998 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.332 2.232 20.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.413 4.158 19.121 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.763 3.920 18.499 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.324 5.552 18.931 1.00 0.00 H new ATOM 118 N GLU A 15 16.809 7.446 21.865 1.00 0.00 N ATOM 119 CA GLU A 15 15.512 8.176 21.845 1.00 0.00 C ATOM 120 C GLU A 15 14.750 7.825 20.565 1.00 0.00 C ATOM 121 O GLU A 15 13.563 8.057 20.453 1.00 0.00 O ATOM 122 CB GLU A 15 15.774 9.683 21.887 1.00 0.00 C ATOM 123 CG GLU A 15 15.738 10.167 23.337 1.00 0.00 C ATOM 124 CD GLU A 15 17.094 10.768 23.709 1.00 0.00 C ATOM 125 OE1 GLU A 15 17.479 11.744 23.087 1.00 0.00 O ATOM 126 OE2 GLU A 15 17.725 10.241 24.610 1.00 0.00 O ATOM 0 H GLU A 15 17.636 8.027 21.728 1.00 0.00 H new ATOM 0 HA GLU A 15 14.918 7.887 22.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.743 9.907 21.442 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.023 10.210 21.298 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.952 10.911 23.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.501 9.337 24.003 1.00 0.00 H new ATOM 133 N GLU A 16 15.425 7.266 19.598 1.00 0.00 N ATOM 134 CA GLU A 16 14.741 6.899 18.325 1.00 0.00 C ATOM 135 C GLU A 16 14.152 8.156 17.681 1.00 0.00 C ATOM 136 O GLU A 16 14.379 9.261 18.133 1.00 0.00 O ATOM 137 CB GLU A 16 13.618 5.902 18.620 1.00 0.00 C ATOM 138 CG GLU A 16 14.186 4.707 19.389 1.00 0.00 C ATOM 139 CD GLU A 16 15.165 3.943 18.496 1.00 0.00 C ATOM 140 OE1 GLU A 16 14.706 3.146 17.695 1.00 0.00 O ATOM 141 OE2 GLU A 16 16.356 4.169 18.627 1.00 0.00 O ATOM 0 H GLU A 16 16.421 7.047 19.634 1.00 0.00 H new ATOM 0 HA GLU A 16 15.460 6.445 17.643 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.833 6.384 19.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.162 5.566 17.689 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.692 5.049 20.292 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.378 4.048 19.707 1.00 0.00 H new ATOM 148 N GLU A 17 13.398 7.997 16.629 1.00 0.00 N ATOM 149 CA GLU A 17 12.795 9.182 15.957 1.00 0.00 C ATOM 150 C GLU A 17 11.392 8.830 15.460 1.00 0.00 C ATOM 151 O GLU A 17 10.965 7.695 15.532 1.00 0.00 O ATOM 152 CB GLU A 17 13.668 9.594 14.769 1.00 0.00 C ATOM 153 CG GLU A 17 13.846 11.113 14.767 1.00 0.00 C ATOM 154 CD GLU A 17 15.316 11.456 15.013 1.00 0.00 C ATOM 155 OE1 GLU A 17 16.162 10.811 14.416 1.00 0.00 O ATOM 156 OE2 GLU A 17 15.571 12.358 15.794 1.00 0.00 O ATOM 0 H GLU A 17 13.173 7.097 16.205 1.00 0.00 H new ATOM 0 HA GLU A 17 12.732 10.007 16.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.640 9.104 14.831 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.207 9.270 13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.520 11.526 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.222 11.564 15.539 1.00 0.00 H new ATOM 163 N GLU A 18 10.671 9.794 14.957 1.00 0.00 N ATOM 164 CA GLU A 18 9.296 9.513 14.456 1.00 0.00 C ATOM 165 C GLU A 18 9.378 8.642 13.201 1.00 0.00 C ATOM 166 O GLU A 18 9.040 7.476 13.219 1.00 0.00 O ATOM 167 CB GLU A 18 8.595 10.830 14.117 1.00 0.00 C ATOM 168 CG GLU A 18 8.646 11.763 15.329 1.00 0.00 C ATOM 169 CD GLU A 18 9.430 13.027 14.968 1.00 0.00 C ATOM 170 OE1 GLU A 18 10.387 12.913 14.220 1.00 0.00 O ATOM 171 OE2 GLU A 18 9.060 14.087 15.444 1.00 0.00 O ATOM 0 H GLU A 18 10.975 10.764 14.871 1.00 0.00 H new ATOM 0 HA GLU A 18 8.730 8.989 15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.078 11.302 13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.560 10.641 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.635 12.026 15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.119 11.257 16.171 1.00 0.00 H new ATOM 178 N GLU A 19 9.827 9.200 12.110 1.00 0.00 N ATOM 179 CA GLU A 19 9.931 8.403 10.854 1.00 0.00 C ATOM 180 C GLU A 19 10.541 9.268 9.749 1.00 0.00 C ATOM 181 O GLU A 19 9.961 10.245 9.321 1.00 0.00 O ATOM 182 CB GLU A 19 8.536 7.941 10.428 1.00 0.00 C ATOM 183 CG GLU A 19 8.598 6.484 9.966 1.00 0.00 C ATOM 184 CD GLU A 19 7.188 5.890 9.957 1.00 0.00 C ATOM 185 OE1 GLU A 19 6.422 6.221 10.847 1.00 0.00 O ATOM 186 OE2 GLU A 19 6.899 5.117 9.059 1.00 0.00 O ATOM 0 H GLU A 19 10.126 10.172 12.034 1.00 0.00 H new ATOM 0 HA GLU A 19 10.566 7.534 11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.839 8.040 11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.163 8.573 9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.035 6.426 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.242 5.908 10.630 1.00 0.00 H new ATOM 193 N GLU A 20 11.708 8.914 9.284 1.00 0.00 N ATOM 194 CA GLU A 20 12.352 9.715 8.206 1.00 0.00 C ATOM 195 C GLU A 20 11.658 9.426 6.873 1.00 0.00 C ATOM 196 O GLU A 20 10.888 8.494 6.754 1.00 0.00 O ATOM 197 CB GLU A 20 13.832 9.338 8.105 1.00 0.00 C ATOM 198 CG GLU A 20 14.671 10.346 8.892 1.00 0.00 C ATOM 199 CD GLU A 20 15.909 10.728 8.078 1.00 0.00 C ATOM 200 OE1 GLU A 20 16.288 9.953 7.214 1.00 0.00 O ATOM 201 OE2 GLU A 20 16.456 11.787 8.331 1.00 0.00 O ATOM 0 H GLU A 20 12.242 8.106 9.604 1.00 0.00 H new ATOM 0 HA GLU A 20 12.264 10.776 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.990 8.333 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.144 9.326 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.079 11.235 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.970 9.918 9.849 1.00 0.00 H new ATOM 208 N TYR A 21 11.924 10.217 5.871 1.00 0.00 N ATOM 209 CA TYR A 21 11.277 9.985 4.549 1.00 0.00 C ATOM 210 C TYR A 21 9.756 10.045 4.711 1.00 0.00 C ATOM 211 O TYR A 21 9.246 10.212 5.800 1.00 0.00 O ATOM 212 CB TYR A 21 11.680 8.607 4.019 1.00 0.00 C ATOM 213 CG TYR A 21 13.142 8.363 4.312 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.122 9.146 3.687 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.518 7.352 5.207 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.478 8.919 3.958 1.00 0.00 C ATOM 217 CE2 TYR A 21 14.874 7.125 5.478 1.00 0.00 C ATOM 218 CZ TYR A 21 15.854 7.908 4.854 1.00 0.00 C ATOM 219 OH TYR A 21 17.189 7.685 5.121 1.00 0.00 O ATOM 0 H TYR A 21 12.561 11.013 5.910 1.00 0.00 H new ATOM 0 HA TYR A 21 11.599 10.753 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.070 7.833 4.486 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.499 8.551 2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 21 13.832 9.924 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.763 6.748 5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 21 16.233 9.523 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 21 15.164 6.346 6.168 1.00 0.00 H new ATOM 0 HH TYR A 21 17.276 6.950 5.763 1.00 0.00 H new ATOM 229 N VAL A 22 9.028 9.912 3.636 1.00 0.00 N ATOM 230 CA VAL A 22 7.542 9.962 3.734 1.00 0.00 C ATOM 231 C VAL A 22 6.928 9.030 2.688 1.00 0.00 C ATOM 232 O VAL A 22 7.577 8.629 1.742 1.00 0.00 O ATOM 233 CB VAL A 22 7.064 11.393 3.483 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.684 11.589 4.114 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.054 12.378 4.110 1.00 0.00 C ATOM 0 H VAL A 22 9.397 9.771 2.696 1.00 0.00 H new ATOM 0 HA VAL A 22 7.233 9.643 4.730 1.00 0.00 H new ATOM 0 HB VAL A 22 7.002 11.572 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.344 12.609 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.978 10.888 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.746 11.410 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.714 13.398 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.116 12.198 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.038 12.240 3.662 1.00 0.00 H new ATOM 245 N VAL A 23 5.680 8.684 2.850 1.00 0.00 N ATOM 246 CA VAL A 23 5.022 7.782 1.865 1.00 0.00 C ATOM 247 C VAL A 23 4.103 8.607 0.965 1.00 0.00 C ATOM 248 O VAL A 23 3.467 9.545 1.405 1.00 0.00 O ATOM 249 CB VAL A 23 4.199 6.729 2.609 1.00 0.00 C ATOM 250 CG1 VAL A 23 2.965 7.387 3.229 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.755 5.643 1.625 1.00 0.00 C ATOM 0 H VAL A 23 5.088 8.988 3.623 1.00 0.00 H new ATOM 0 HA VAL A 23 5.779 7.286 1.258 1.00 0.00 H new ATOM 0 HB VAL A 23 4.807 6.284 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.379 6.636 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.279 8.162 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.356 7.833 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.168 4.891 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.148 6.091 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.633 5.173 1.182 1.00 0.00 H new ATOM 261 N GLU A 24 4.027 8.270 -0.291 1.00 0.00 N ATOM 262 CA GLU A 24 3.150 9.043 -1.213 1.00 0.00 C ATOM 263 C GLU A 24 1.777 8.371 -1.297 1.00 0.00 C ATOM 264 O GLU A 24 0.764 9.026 -1.436 1.00 0.00 O ATOM 265 CB GLU A 24 3.783 9.089 -2.604 1.00 0.00 C ATOM 266 CG GLU A 24 3.178 10.246 -3.403 1.00 0.00 C ATOM 267 CD GLU A 24 3.896 11.546 -3.041 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.949 11.862 -1.863 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.380 12.206 -3.947 1.00 0.00 O ATOM 0 H GLU A 24 4.533 7.494 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 24 3.034 10.059 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.862 9.216 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.613 8.146 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.271 10.052 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.113 10.334 -3.187 1.00 0.00 H new ATOM 276 N LYS A 25 1.737 7.069 -1.214 1.00 0.00 N ATOM 277 CA LYS A 25 0.430 6.357 -1.289 1.00 0.00 C ATOM 278 C LYS A 25 0.672 4.873 -1.567 1.00 0.00 C ATOM 279 O LYS A 25 1.797 4.423 -1.653 1.00 0.00 O ATOM 280 CB LYS A 25 -0.415 6.958 -2.416 1.00 0.00 C ATOM 281 CG LYS A 25 -1.569 7.761 -1.815 1.00 0.00 C ATOM 282 CD LYS A 25 -2.197 8.641 -2.897 1.00 0.00 C ATOM 283 CE LYS A 25 -3.042 9.735 -2.241 1.00 0.00 C ATOM 284 NZ LYS A 25 -3.021 10.957 -3.092 1.00 0.00 N ATOM 0 H LYS A 25 2.553 6.468 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.098 6.467 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.202 7.601 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.804 6.166 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.318 7.086 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.207 8.379 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.418 9.089 -3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.817 8.036 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.067 9.388 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.653 9.963 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.595 11.701 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.042 11.291 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.411 10.734 -4.030 1.00 0.00 H new ATOM 298 N VAL A 26 -0.375 4.108 -1.710 1.00 0.00 N ATOM 299 CA VAL A 26 -0.203 2.652 -1.985 1.00 0.00 C ATOM 300 C VAL A 26 -0.239 2.415 -3.496 1.00 0.00 C ATOM 301 O VAL A 26 -1.167 2.810 -4.173 1.00 0.00 O ATOM 302 CB VAL A 26 -1.333 1.861 -1.315 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.808 0.491 -0.882 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.836 2.618 -0.084 1.00 0.00 C ATOM 0 H VAL A 26 -1.342 4.427 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 26 0.754 2.318 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.152 1.736 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.610 -0.072 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.451 -0.054 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.012 0.622 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.639 2.052 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.017 2.746 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.211 3.596 -0.386 1.00 0.00 H new ATOM 314 N LEU A 27 0.765 1.776 -4.030 1.00 0.00 N ATOM 315 CA LEU A 27 0.788 1.518 -5.499 1.00 0.00 C ATOM 316 C LEU A 27 0.270 0.107 -5.783 1.00 0.00 C ATOM 317 O LEU A 27 -0.196 -0.185 -6.866 1.00 0.00 O ATOM 318 CB LEU A 27 2.223 1.648 -6.015 1.00 0.00 C ATOM 319 CG LEU A 27 2.518 3.112 -6.342 1.00 0.00 C ATOM 320 CD1 LEU A 27 2.116 3.992 -5.157 1.00 0.00 C ATOM 321 CD2 LEU A 27 4.014 3.281 -6.616 1.00 0.00 C ATOM 0 H LEU A 27 1.570 1.421 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 27 0.151 2.244 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.925 1.284 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.358 1.032 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 27 1.950 3.408 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.327 5.036 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.051 3.872 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.684 3.696 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.226 4.325 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.581 2.984 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.302 2.655 -7.460 1.00 0.00 H new ATOM 333 N ASP A 28 0.349 -0.774 -4.823 1.00 0.00 N ATOM 334 CA ASP A 28 -0.139 -2.163 -5.052 1.00 0.00 C ATOM 335 C ASP A 28 -0.015 -2.975 -3.761 1.00 0.00 C ATOM 336 O ASP A 28 0.211 -2.436 -2.695 1.00 0.00 O ATOM 337 CB ASP A 28 0.701 -2.823 -6.148 1.00 0.00 C ATOM 338 CG ASP A 28 -0.222 -3.516 -7.153 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.744 -4.567 -6.821 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.390 -2.983 -8.237 1.00 0.00 O ATOM 0 H ASP A 28 0.729 -0.593 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.184 -2.131 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.310 -2.074 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.387 -3.548 -5.709 1.00 0.00 H new ATOM 345 N ARG A 29 -0.163 -4.269 -3.849 1.00 0.00 N ATOM 346 CA ARG A 29 -0.056 -5.121 -2.632 1.00 0.00 C ATOM 347 C ARG A 29 0.256 -6.560 -3.047 1.00 0.00 C ATOM 348 O ARG A 29 -0.008 -6.965 -4.161 1.00 0.00 O ATOM 349 CB ARG A 29 -1.381 -5.086 -1.867 1.00 0.00 C ATOM 350 CG ARG A 29 -2.494 -5.652 -2.750 1.00 0.00 C ATOM 351 CD ARG A 29 -3.802 -5.693 -1.958 1.00 0.00 C ATOM 352 NE ARG A 29 -4.321 -7.090 -1.930 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.416 -7.365 -1.276 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.923 -6.489 -0.451 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.006 -8.516 -1.447 1.00 0.00 N ATOM 0 H ARG A 29 -0.354 -4.774 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 29 0.742 -4.745 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.299 -5.668 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.618 -4.063 -1.576 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.615 -5.036 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.230 -6.654 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.636 -5.335 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.537 -5.030 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.821 -7.830 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.463 -5.589 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.779 -6.705 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.611 -9.201 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.862 -8.731 -0.936 1.00 0.00 H new ATOM 369 N ARG A 30 0.818 -7.336 -2.160 1.00 0.00 N ATOM 370 CA ARG A 30 1.146 -8.747 -2.511 1.00 0.00 C ATOM 371 C ARG A 30 0.998 -9.629 -1.270 1.00 0.00 C ATOM 372 O ARG A 30 1.392 -9.258 -0.183 1.00 0.00 O ATOM 373 CB ARG A 30 2.586 -8.824 -3.019 1.00 0.00 C ATOM 374 CG ARG A 30 2.879 -10.241 -3.513 1.00 0.00 C ATOM 375 CD ARG A 30 4.067 -10.208 -4.475 1.00 0.00 C ATOM 376 NE ARG A 30 5.305 -10.608 -3.748 1.00 0.00 N ATOM 377 CZ ARG A 30 6.134 -11.456 -4.290 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.574 -11.255 -5.503 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.524 -12.506 -3.620 1.00 0.00 N ATOM 0 H ARG A 30 1.063 -7.055 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 30 0.466 -9.095 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.736 -8.108 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.279 -8.555 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.099 -10.894 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.002 -10.652 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.890 -10.883 -5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.184 -9.208 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 30 5.504 -10.218 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.269 -10.434 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.223 -11.919 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.180 -12.663 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.172 -13.170 -4.044 1.00 0.00 H new ATOM 393 N VAL A 31 0.433 -10.796 -1.422 1.00 0.00 N ATOM 394 CA VAL A 31 0.264 -11.698 -0.248 1.00 0.00 C ATOM 395 C VAL A 31 1.182 -12.913 -0.400 1.00 0.00 C ATOM 396 O VAL A 31 1.260 -13.518 -1.451 1.00 0.00 O ATOM 397 CB VAL A 31 -1.192 -12.167 -0.167 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.302 -13.344 0.806 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.067 -11.018 0.333 1.00 0.00 C ATOM 0 H VAL A 31 0.082 -11.163 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 31 0.523 -11.158 0.663 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.525 -12.481 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.339 -13.675 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.677 -14.165 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.968 -13.031 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.104 -11.349 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.729 -10.707 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.993 -10.177 -0.357 1.00 0.00 H new ATOM 409 N VAL A 32 1.872 -13.278 0.645 1.00 0.00 N ATOM 410 CA VAL A 32 2.776 -14.457 0.564 1.00 0.00 C ATOM 411 C VAL A 32 2.010 -15.702 1.012 1.00 0.00 C ATOM 412 O VAL A 32 1.906 -16.671 0.288 1.00 0.00 O ATOM 413 CB VAL A 32 3.981 -14.241 1.480 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.844 -15.504 1.496 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.811 -13.065 0.960 1.00 0.00 C ATOM 0 H VAL A 32 1.848 -12.810 1.551 1.00 0.00 H new ATOM 0 HA VAL A 32 3.123 -14.586 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 32 3.634 -14.025 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.703 -15.350 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.254 -16.343 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.191 -15.721 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.671 -12.910 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.157 -13.282 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.198 -12.164 0.948 1.00 0.00 H new ATOM 425 N LYS A 33 1.466 -15.675 2.199 1.00 0.00 N ATOM 426 CA LYS A 33 0.697 -16.849 2.702 1.00 0.00 C ATOM 427 C LYS A 33 0.567 -16.756 4.223 1.00 0.00 C ATOM 428 O LYS A 33 0.992 -17.634 4.949 1.00 0.00 O ATOM 429 CB LYS A 33 1.426 -18.141 2.328 1.00 0.00 C ATOM 430 CG LYS A 33 0.724 -18.788 1.133 1.00 0.00 C ATOM 431 CD LYS A 33 0.002 -20.058 1.590 1.00 0.00 C ATOM 432 CE LYS A 33 -0.451 -20.855 0.367 1.00 0.00 C ATOM 433 NZ LYS A 33 -0.839 -22.232 0.789 1.00 0.00 N ATOM 0 H LYS A 33 1.522 -14.887 2.844 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.295 -16.853 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.466 -17.927 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.433 -18.827 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.011 -18.090 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.451 -19.029 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.665 -20.664 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.858 -19.798 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.295 -20.358 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.352 -20.901 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.148 -22.776 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.023 -22.704 1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.618 -22.178 1.476 1.00 0.00 H new ATOM 447 N GLY A 34 -0.017 -15.696 4.712 1.00 0.00 N ATOM 448 CA GLY A 34 -0.174 -15.543 6.185 1.00 0.00 C ATOM 449 C GLY A 34 0.192 -14.115 6.591 1.00 0.00 C ATOM 450 O GLY A 34 -0.100 -13.676 7.685 1.00 0.00 O ATOM 0 H GLY A 34 -0.392 -14.929 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.201 -15.764 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.466 -16.256 6.706 1.00 0.00 H new ATOM 454 N LYS A 35 0.830 -13.385 5.717 1.00 0.00 N ATOM 455 CA LYS A 35 1.214 -11.986 6.052 1.00 0.00 C ATOM 456 C LYS A 35 0.913 -11.079 4.857 1.00 0.00 C ATOM 457 O LYS A 35 1.682 -10.995 3.919 1.00 0.00 O ATOM 458 CB LYS A 35 2.709 -11.927 6.374 1.00 0.00 C ATOM 459 CG LYS A 35 3.030 -12.924 7.489 1.00 0.00 C ATOM 460 CD LYS A 35 4.547 -13.024 7.665 1.00 0.00 C ATOM 461 CE LYS A 35 5.148 -13.802 6.493 1.00 0.00 C ATOM 462 NZ LYS A 35 6.420 -14.448 6.926 1.00 0.00 N ATOM 0 H LYS A 35 1.102 -13.698 4.785 1.00 0.00 H new ATOM 0 HA LYS A 35 0.645 -11.650 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.293 -12.160 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.986 -10.919 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.566 -12.604 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.616 -13.903 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.984 -12.027 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.782 -13.523 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.444 -14.558 6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.335 -13.131 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.829 -14.977 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.092 -13.718 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.228 -15.100 7.713 1.00 0.00 H new ATOM 476 N VAL A 36 -0.202 -10.401 4.881 1.00 0.00 N ATOM 477 CA VAL A 36 -0.553 -9.504 3.746 1.00 0.00 C ATOM 478 C VAL A 36 0.447 -8.347 3.677 1.00 0.00 C ATOM 479 O VAL A 36 0.625 -7.610 4.626 1.00 0.00 O ATOM 480 CB VAL A 36 -1.964 -8.948 3.952 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.215 -7.806 2.967 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.987 -10.061 3.713 1.00 0.00 C ATOM 0 H VAL A 36 -0.885 -10.430 5.638 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.517 -10.069 2.814 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.061 -8.574 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.220 -7.412 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.486 -7.013 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.118 -8.177 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.993 -9.668 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.888 -10.434 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.810 -10.875 4.416 1.00 0.00 H new ATOM 492 N GLU A 37 1.096 -8.181 2.558 1.00 0.00 N ATOM 493 CA GLU A 37 2.081 -7.071 2.423 1.00 0.00 C ATOM 494 C GLU A 37 1.451 -5.930 1.621 1.00 0.00 C ATOM 495 O GLU A 37 0.421 -6.093 0.997 1.00 0.00 O ATOM 496 CB GLU A 37 3.326 -7.580 1.694 1.00 0.00 C ATOM 497 CG GLU A 37 4.096 -8.539 2.606 1.00 0.00 C ATOM 498 CD GLU A 37 5.192 -7.770 3.348 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.502 -6.667 2.927 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.700 -8.296 4.323 1.00 0.00 O ATOM 0 H GLU A 37 0.987 -8.767 1.730 1.00 0.00 H new ATOM 0 HA GLU A 37 2.362 -6.710 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.039 -8.088 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.962 -6.742 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.416 -9.003 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.537 -9.343 2.017 1.00 0.00 H new ATOM 507 N TYR A 38 2.059 -4.775 1.633 1.00 0.00 N ATOM 508 CA TYR A 38 1.489 -3.627 0.871 1.00 0.00 C ATOM 509 C TYR A 38 2.623 -2.802 0.259 1.00 0.00 C ATOM 510 O TYR A 38 3.500 -2.323 0.950 1.00 0.00 O ATOM 511 CB TYR A 38 0.672 -2.744 1.817 1.00 0.00 C ATOM 512 CG TYR A 38 -0.718 -3.317 1.965 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.595 -3.318 0.872 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.130 -3.845 3.195 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.884 -3.849 1.009 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.421 -4.376 3.333 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.297 -4.377 2.240 1.00 0.00 C ATOM 518 OH TYR A 38 -4.568 -4.899 2.375 1.00 0.00 O ATOM 0 H TYR A 38 2.924 -4.577 2.136 1.00 0.00 H new ATOM 0 HA TYR A 38 0.846 -4.005 0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.159 -2.687 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.618 -1.727 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.277 -2.909 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.454 -3.843 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.559 -3.852 0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.739 -4.784 4.281 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.693 -5.224 3.291 1.00 0.00 H new ATOM 528 N LEU A 39 2.613 -2.633 -1.036 1.00 0.00 N ATOM 529 CA LEU A 39 3.690 -1.837 -1.692 1.00 0.00 C ATOM 530 C LEU A 39 3.317 -0.354 -1.663 1.00 0.00 C ATOM 531 O LEU A 39 2.262 0.041 -2.118 1.00 0.00 O ATOM 532 CB LEU A 39 3.849 -2.294 -3.144 1.00 0.00 C ATOM 533 CG LEU A 39 5.065 -1.605 -3.765 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.712 -2.537 -4.791 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.621 -0.315 -4.458 1.00 0.00 C ATOM 0 H LEU A 39 1.907 -3.011 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 39 4.629 -1.986 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.971 -3.376 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.951 -2.053 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 39 5.787 -1.369 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.579 -2.046 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.028 -3.457 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.991 -2.774 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.487 0.177 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.899 -0.552 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.160 0.350 -3.728 1.00 0.00 H new ATOM 547 N LEU A 40 4.175 0.473 -1.129 1.00 0.00 N ATOM 548 CA LEU A 40 3.868 1.930 -1.070 1.00 0.00 C ATOM 549 C LEU A 40 5.033 2.722 -1.665 1.00 0.00 C ATOM 550 O LEU A 40 6.128 2.217 -1.811 1.00 0.00 O ATOM 551 CB LEU A 40 3.658 2.353 0.386 1.00 0.00 C ATOM 552 CG LEU A 40 3.056 1.191 1.178 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.084 1.522 2.672 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.608 0.969 0.735 1.00 0.00 C ATOM 0 H LEU A 40 5.074 0.202 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 40 2.961 2.130 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.608 2.654 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.997 3.218 0.432 1.00 0.00 H new ATOM 0 HG LEU A 40 3.637 0.287 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.655 0.694 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.114 1.683 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.503 2.426 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.178 0.141 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.028 1.873 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.585 0.734 -0.329 1.00 0.00 H new ATOM 566 N LYS A 41 4.806 3.960 -2.008 1.00 0.00 N ATOM 567 CA LYS A 41 5.902 4.784 -2.590 1.00 0.00 C ATOM 568 C LYS A 41 6.591 5.573 -1.474 1.00 0.00 C ATOM 569 O LYS A 41 6.136 5.598 -0.348 1.00 0.00 O ATOM 570 CB LYS A 41 5.321 5.757 -3.618 1.00 0.00 C ATOM 571 CG LYS A 41 6.460 6.399 -4.413 1.00 0.00 C ATOM 572 CD LYS A 41 5.951 6.805 -5.797 1.00 0.00 C ATOM 573 CE LYS A 41 6.149 8.310 -5.991 1.00 0.00 C ATOM 574 NZ LYS A 41 5.892 8.662 -7.417 1.00 0.00 N ATOM 0 H LYS A 41 3.909 4.436 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 41 6.627 4.132 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.645 5.230 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.735 6.527 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.840 7.272 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.290 5.699 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.487 6.254 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.896 6.550 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.473 8.864 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.164 8.594 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.926 9.695 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.618 8.223 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.953 8.314 -7.697 1.00 0.00 H new ATOM 588 N TRP A 42 7.685 6.214 -1.776 1.00 0.00 N ATOM 589 CA TRP A 42 8.400 6.999 -0.731 1.00 0.00 C ATOM 590 C TRP A 42 9.074 8.213 -1.374 1.00 0.00 C ATOM 591 O TRP A 42 10.044 8.087 -2.094 1.00 0.00 O ATOM 592 CB TRP A 42 9.460 6.116 -0.070 1.00 0.00 C ATOM 593 CG TRP A 42 8.795 4.956 0.599 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.711 3.707 0.087 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.119 4.915 1.889 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.028 2.902 0.980 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.643 3.600 2.107 1.00 0.00 C ATOM 598 CE3 TRP A 42 7.875 5.883 2.883 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.951 3.257 3.269 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.179 5.541 4.055 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.718 4.229 4.247 1.00 0.00 C ATOM 0 H TRP A 42 8.115 6.229 -2.701 1.00 0.00 H new ATOM 0 HA TRP A 42 7.687 7.338 0.021 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.170 5.761 -0.817 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.027 6.694 0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.112 3.390 -0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.832 1.913 0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.225 6.895 2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.597 2.247 3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.998 6.291 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.184 3.971 5.149 1.00 0.00 H new ATOM 612 N LYS A 43 8.566 9.388 -1.120 1.00 0.00 N ATOM 613 CA LYS A 43 9.177 10.608 -1.717 1.00 0.00 C ATOM 614 C LYS A 43 10.486 10.932 -0.993 1.00 0.00 C ATOM 615 O LYS A 43 11.247 11.779 -1.416 1.00 0.00 O ATOM 616 CB LYS A 43 8.210 11.786 -1.572 1.00 0.00 C ATOM 617 CG LYS A 43 7.793 11.926 -0.107 1.00 0.00 C ATOM 618 CD LYS A 43 8.015 13.368 0.352 1.00 0.00 C ATOM 619 CE LYS A 43 6.961 14.276 -0.283 1.00 0.00 C ATOM 620 NZ LYS A 43 6.778 15.490 0.561 1.00 0.00 N ATOM 0 H LYS A 43 7.755 9.555 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 43 9.381 10.431 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.685 12.705 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.332 11.628 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.744 11.653 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.372 11.242 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.954 13.428 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.014 13.701 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.270 14.562 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.016 13.742 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.061 16.108 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.465 15.208 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.680 16.003 0.632 1.00 0.00 H new ATOM 634 N GLY A 44 10.754 10.265 0.096 1.00 0.00 N ATOM 635 CA GLY A 44 12.013 10.536 0.845 1.00 0.00 C ATOM 636 C GLY A 44 13.212 10.067 0.019 1.00 0.00 C ATOM 637 O GLY A 44 14.229 10.727 -0.046 1.00 0.00 O ATOM 0 H GLY A 44 10.155 9.544 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.099 11.602 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.995 10.020 1.805 1.00 0.00 H new ATOM 641 N PHE A 45 13.101 8.929 -0.612 1.00 0.00 N ATOM 642 CA PHE A 45 14.235 8.419 -1.433 1.00 0.00 C ATOM 643 C PHE A 45 14.044 8.850 -2.890 1.00 0.00 C ATOM 644 O PHE A 45 14.575 9.852 -3.324 1.00 0.00 O ATOM 645 CB PHE A 45 14.276 6.892 -1.353 1.00 0.00 C ATOM 646 CG PHE A 45 14.593 6.470 0.061 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.775 6.906 0.674 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.705 5.641 0.760 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.069 6.514 1.987 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.000 5.249 2.073 1.00 0.00 C ATOM 651 CZ PHE A 45 15.181 5.686 2.687 1.00 0.00 C ATOM 0 H PHE A 45 12.275 8.331 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 45 15.172 8.827 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.317 6.475 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.029 6.501 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.459 7.544 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.794 5.304 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.980 6.850 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.316 4.610 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.407 5.385 3.699 1.00 0.00 H new ATOM 661 N SER A 46 13.288 8.102 -3.646 1.00 0.00 N ATOM 662 CA SER A 46 13.065 8.471 -5.072 1.00 0.00 C ATOM 663 C SER A 46 11.563 8.606 -5.335 1.00 0.00 C ATOM 664 O SER A 46 10.773 8.738 -4.422 1.00 0.00 O ATOM 665 CB SER A 46 13.646 7.385 -5.978 1.00 0.00 C ATOM 666 OG SER A 46 12.634 6.431 -6.277 1.00 0.00 O ATOM 0 H SER A 46 12.816 7.252 -3.338 1.00 0.00 H new ATOM 0 HA SER A 46 13.558 9.420 -5.282 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.027 7.828 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.488 6.897 -5.487 1.00 0.00 H new ATOM 0 HG SER A 46 13.003 5.734 -6.859 1.00 0.00 H new ATOM 672 N ASP A 47 11.164 8.573 -6.576 1.00 0.00 N ATOM 673 CA ASP A 47 9.715 8.699 -6.896 1.00 0.00 C ATOM 674 C ASP A 47 9.105 7.305 -7.049 1.00 0.00 C ATOM 675 O ASP A 47 8.083 7.129 -7.683 1.00 0.00 O ATOM 676 CB ASP A 47 9.548 9.477 -8.203 1.00 0.00 C ATOM 677 CG ASP A 47 8.667 10.704 -7.961 1.00 0.00 C ATOM 678 OD1 ASP A 47 8.880 11.374 -6.964 1.00 0.00 O ATOM 679 OD2 ASP A 47 7.795 10.953 -8.777 1.00 0.00 O ATOM 0 H ASP A 47 11.779 8.464 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 47 9.208 9.230 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.523 9.785 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.098 8.838 -8.963 1.00 0.00 H new ATOM 684 N GLU A 48 9.725 6.311 -6.475 1.00 0.00 N ATOM 685 CA GLU A 48 9.182 4.929 -6.586 1.00 0.00 C ATOM 686 C GLU A 48 10.164 3.944 -5.948 1.00 0.00 C ATOM 687 O GLU A 48 10.972 3.335 -6.621 1.00 0.00 O ATOM 688 CB GLU A 48 8.992 4.573 -8.062 1.00 0.00 C ATOM 689 CG GLU A 48 10.229 5.004 -8.854 1.00 0.00 C ATOM 690 CD GLU A 48 10.825 3.790 -9.569 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.086 2.853 -9.820 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.012 3.818 -9.852 1.00 0.00 O ATOM 0 H GLU A 48 10.585 6.397 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 48 8.223 4.873 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.833 3.500 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.104 5.068 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.960 5.771 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.968 5.444 -8.184 1.00 0.00 H new ATOM 699 N ASP A 49 10.102 3.785 -4.655 1.00 0.00 N ATOM 700 CA ASP A 49 11.034 2.841 -3.977 1.00 0.00 C ATOM 701 C ASP A 49 10.368 1.468 -3.856 1.00 0.00 C ATOM 702 O ASP A 49 11.020 0.470 -3.623 1.00 0.00 O ATOM 703 CB ASP A 49 11.371 3.372 -2.581 1.00 0.00 C ATOM 704 CG ASP A 49 12.777 2.915 -2.188 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.701 3.205 -2.930 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.905 2.282 -1.153 1.00 0.00 O ATOM 0 H ASP A 49 9.447 4.267 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 49 11.950 2.750 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.315 4.460 -2.571 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.643 3.008 -1.856 1.00 0.00 H new ATOM 711 N ASN A 50 9.075 1.411 -4.015 1.00 0.00 N ATOM 712 CA ASN A 50 8.367 0.103 -3.912 1.00 0.00 C ATOM 713 C ASN A 50 8.854 -0.648 -2.671 1.00 0.00 C ATOM 714 O ASN A 50 9.851 -1.340 -2.705 1.00 0.00 O ATOM 715 CB ASN A 50 8.661 -0.732 -5.160 1.00 0.00 C ATOM 716 CG ASN A 50 8.278 0.063 -6.409 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.457 0.955 -6.349 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.845 -0.226 -7.549 1.00 0.00 N ATOM 0 H ASN A 50 8.477 2.214 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 50 7.294 0.276 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.718 -0.995 -5.194 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.101 -1.667 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.598 0.298 -8.389 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.535 -0.975 -7.600 1.00 0.00 H new ATOM 725 N THR A 51 8.155 -0.519 -1.578 1.00 0.00 N ATOM 726 CA THR A 51 8.577 -1.229 -0.338 1.00 0.00 C ATOM 727 C THR A 51 7.461 -2.176 0.108 1.00 0.00 C ATOM 728 O THR A 51 6.299 -1.820 0.120 1.00 0.00 O ATOM 729 CB THR A 51 8.854 -0.205 0.766 1.00 0.00 C ATOM 730 OG1 THR A 51 9.535 0.912 0.211 1.00 0.00 O ATOM 731 CG2 THR A 51 9.721 -0.843 1.853 1.00 0.00 C ATOM 0 H THR A 51 7.311 0.047 -1.489 1.00 0.00 H new ATOM 0 HA THR A 51 9.483 -1.802 -0.534 1.00 0.00 H new ATOM 0 HB THR A 51 7.911 0.122 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.494 1.664 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.917 -0.112 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.199 -1.701 2.278 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.665 -1.171 1.419 1.00 0.00 H new ATOM 739 N TRP A 52 7.804 -3.382 0.471 1.00 0.00 N ATOM 740 CA TRP A 52 6.763 -4.353 0.911 1.00 0.00 C ATOM 741 C TRP A 52 6.743 -4.427 2.440 1.00 0.00 C ATOM 742 O TRP A 52 7.683 -4.880 3.061 1.00 0.00 O ATOM 743 CB TRP A 52 7.081 -5.736 0.339 1.00 0.00 C ATOM 744 CG TRP A 52 7.094 -5.667 -1.155 1.00 0.00 C ATOM 745 CD1 TRP A 52 8.207 -5.572 -1.922 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.965 -5.684 -2.079 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.831 -5.532 -3.250 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.467 -5.598 -3.397 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.570 -5.767 -1.904 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.627 -5.593 -4.501 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.713 -5.762 -3.020 1.00 0.00 C ATOM 752 CH2 TRP A 52 4.242 -5.675 -4.317 1.00 0.00 C ATOM 0 H TRP A 52 8.760 -3.737 0.482 1.00 0.00 H new ATOM 0 HA TRP A 52 5.788 -4.025 0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.048 -6.080 0.706 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.338 -6.459 0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.222 -5.534 -1.555 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.487 -5.462 -4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.156 -5.835 -0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.039 -5.526 -5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.644 -5.825 -2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.582 -5.671 -5.172 1.00 0.00 H new ATOM 763 N GLU A 53 5.677 -3.986 3.051 1.00 0.00 N ATOM 764 CA GLU A 53 5.597 -4.035 4.537 1.00 0.00 C ATOM 765 C GLU A 53 4.325 -4.779 4.956 1.00 0.00 C ATOM 766 O GLU A 53 3.344 -4.775 4.240 1.00 0.00 O ATOM 767 CB GLU A 53 5.561 -2.609 5.094 1.00 0.00 C ATOM 768 CG GLU A 53 6.860 -1.887 4.732 1.00 0.00 C ATOM 769 CD GLU A 53 7.960 -2.289 5.716 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.660 -3.026 6.641 1.00 0.00 O ATOM 771 OE2 GLU A 53 9.084 -1.854 5.529 1.00 0.00 O ATOM 0 H GLU A 53 4.859 -3.594 2.585 1.00 0.00 H new ATOM 0 HA GLU A 53 6.469 -4.557 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.707 -2.069 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.435 -2.633 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.158 -2.140 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.709 -0.808 4.761 1.00 0.00 H new ATOM 778 N PRO A 54 4.384 -5.396 6.108 1.00 0.00 N ATOM 779 CA PRO A 54 3.252 -6.159 6.658 1.00 0.00 C ATOM 780 C PRO A 54 2.210 -5.212 7.260 1.00 0.00 C ATOM 781 O PRO A 54 2.542 -4.240 7.908 1.00 0.00 O ATOM 782 CB PRO A 54 3.896 -7.025 7.743 1.00 0.00 C ATOM 783 CG PRO A 54 5.214 -6.317 8.142 1.00 0.00 C ATOM 784 CD PRO A 54 5.585 -5.390 6.967 1.00 0.00 C ATOM 0 HA PRO A 54 2.726 -6.748 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.234 -7.126 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.092 -8.031 7.372 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.085 -5.746 9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.005 -7.044 8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.822 -4.384 7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.460 -5.757 6.431 1.00 0.00 H new ATOM 792 N GLU A 55 0.952 -5.489 7.050 1.00 0.00 N ATOM 793 CA GLU A 55 -0.109 -4.607 7.610 1.00 0.00 C ATOM 794 C GLU A 55 -0.368 -4.987 9.070 1.00 0.00 C ATOM 795 O GLU A 55 -1.021 -4.271 9.802 1.00 0.00 O ATOM 796 CB GLU A 55 -1.396 -4.779 6.802 1.00 0.00 C ATOM 797 CG GLU A 55 -1.725 -6.268 6.678 1.00 0.00 C ATOM 798 CD GLU A 55 -3.203 -6.494 6.999 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.942 -5.525 7.002 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.570 -7.633 7.237 1.00 0.00 O ATOM 0 H GLU A 55 0.614 -6.289 6.514 1.00 0.00 H new ATOM 0 HA GLU A 55 0.216 -3.568 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.217 -4.254 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.278 -4.338 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.504 -6.617 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.102 -6.847 7.360 1.00 0.00 H new ATOM 807 N GLU A 56 0.142 -6.110 9.500 1.00 0.00 N ATOM 808 CA GLU A 56 -0.075 -6.533 10.912 1.00 0.00 C ATOM 809 C GLU A 56 0.834 -5.717 11.835 1.00 0.00 C ATOM 810 O GLU A 56 0.781 -5.843 13.042 1.00 0.00 O ATOM 811 CB GLU A 56 0.256 -8.021 11.055 1.00 0.00 C ATOM 812 CG GLU A 56 -0.987 -8.854 10.736 1.00 0.00 C ATOM 813 CD GLU A 56 -1.738 -9.167 12.032 1.00 0.00 C ATOM 814 OE1 GLU A 56 -1.876 -8.268 12.846 1.00 0.00 O ATOM 815 OE2 GLU A 56 -2.162 -10.300 12.189 1.00 0.00 O ATOM 0 H GLU A 56 0.699 -6.751 8.935 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.116 -6.364 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.069 -8.290 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.598 -8.232 12.068 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.636 -8.310 10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.699 -9.780 10.237 1.00 0.00 H new ATOM 822 N ASN A 57 1.667 -4.881 11.277 1.00 0.00 N ATOM 823 CA ASN A 57 2.576 -4.059 12.125 1.00 0.00 C ATOM 824 C ASN A 57 2.474 -2.591 11.704 1.00 0.00 C ATOM 825 O ASN A 57 2.572 -1.694 12.517 1.00 0.00 O ATOM 826 CB ASN A 57 4.017 -4.542 11.947 1.00 0.00 C ATOM 827 CG ASN A 57 4.240 -5.804 12.783 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.886 -5.758 13.811 1.00 0.00 O ATOM 829 ND2 ASN A 57 3.730 -6.936 12.382 1.00 0.00 N ATOM 0 H ASN A 57 1.757 -4.732 10.272 1.00 0.00 H new ATOM 0 HA ASN A 57 2.287 -4.159 13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.215 -4.750 10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.714 -3.762 12.254 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.873 -7.783 12.932 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.188 -6.974 11.519 1.00 0.00 H new ATOM 836 N LEU A 58 2.278 -2.342 10.439 1.00 0.00 N ATOM 837 CA LEU A 58 2.170 -0.935 9.964 1.00 0.00 C ATOM 838 C LEU A 58 0.958 -0.264 10.610 1.00 0.00 C ATOM 839 O LEU A 58 -0.109 -0.840 10.699 1.00 0.00 O ATOM 840 CB LEU A 58 2.007 -0.925 8.442 1.00 0.00 C ATOM 841 CG LEU A 58 3.302 -0.436 7.793 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.277 -0.758 6.299 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.424 1.078 7.985 1.00 0.00 C ATOM 0 H LEU A 58 2.188 -3.053 9.713 1.00 0.00 H new ATOM 0 HA LEU A 58 3.073 -0.390 10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.764 -1.926 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.178 -0.276 8.159 1.00 0.00 H new ATOM 0 HG LEU A 58 4.153 -0.934 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.200 -0.409 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.186 -1.835 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.427 -0.259 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.346 1.430 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.573 1.574 7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.440 1.310 9.050 1.00 0.00 H new ATOM 855 N ASP A 59 1.112 0.950 11.062 1.00 0.00 N ATOM 856 CA ASP A 59 -0.032 1.659 11.701 1.00 0.00 C ATOM 857 C ASP A 59 -0.570 2.721 10.741 1.00 0.00 C ATOM 858 O ASP A 59 -0.494 3.905 11.004 1.00 0.00 O ATOM 859 CB ASP A 59 0.442 2.330 12.991 1.00 0.00 C ATOM 860 CG ASP A 59 0.199 1.393 14.175 1.00 0.00 C ATOM 861 OD1 ASP A 59 0.423 0.204 14.020 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.208 1.881 15.217 1.00 0.00 O ATOM 0 H ASP A 59 1.981 1.482 11.016 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.822 0.944 11.933 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.502 2.573 12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.091 3.269 13.142 1.00 0.00 H new ATOM 867 N CYS A 60 -1.111 2.308 9.627 1.00 0.00 N ATOM 868 CA CYS A 60 -1.650 3.295 8.651 1.00 0.00 C ATOM 869 C CYS A 60 -2.922 2.739 8.006 1.00 0.00 C ATOM 870 O CYS A 60 -2.862 2.082 6.985 1.00 0.00 O ATOM 871 CB CYS A 60 -0.604 3.562 7.567 1.00 0.00 C ATOM 872 SG CYS A 60 0.712 4.604 8.242 1.00 0.00 S ATOM 0 H CYS A 60 -1.203 1.330 9.352 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.884 4.225 9.169 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.189 2.620 7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.068 4.053 6.712 1.00 0.00 H new ATOM 0 HG CYS A 60 0.569 4.704 9.530 1.00 0.00 H new ATOM 878 N PRO A 61 -4.040 3.022 8.625 1.00 0.00 N ATOM 879 CA PRO A 61 -5.352 2.567 8.139 1.00 0.00 C ATOM 880 C PRO A 61 -5.810 3.435 6.964 1.00 0.00 C ATOM 881 O PRO A 61 -6.866 3.226 6.398 1.00 0.00 O ATOM 882 CB PRO A 61 -6.268 2.752 9.351 1.00 0.00 C ATOM 883 CG PRO A 61 -5.588 3.809 10.255 1.00 0.00 C ATOM 884 CD PRO A 61 -4.097 3.823 9.865 1.00 0.00 C ATOM 0 HA PRO A 61 -5.346 1.540 7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.259 3.085 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.400 1.811 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.037 4.791 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.711 3.556 11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.738 4.839 9.700 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.476 3.389 10.649 1.00 0.00 H new ATOM 892 N ASP A 62 -5.020 4.404 6.588 1.00 0.00 N ATOM 893 CA ASP A 62 -5.405 5.279 5.449 1.00 0.00 C ATOM 894 C ASP A 62 -4.907 4.648 4.151 1.00 0.00 C ATOM 895 O ASP A 62 -5.651 4.481 3.204 1.00 0.00 O ATOM 896 CB ASP A 62 -4.768 6.660 5.626 1.00 0.00 C ATOM 897 CG ASP A 62 -5.662 7.721 4.981 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.485 7.354 4.159 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.506 8.883 5.319 1.00 0.00 O ATOM 0 H ASP A 62 -4.124 4.626 7.022 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.489 5.387 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.634 6.877 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.778 6.677 5.170 1.00 0.00 H new ATOM 904 N LEU A 63 -3.656 4.279 4.103 1.00 0.00 N ATOM 905 CA LEU A 63 -3.122 3.646 2.874 1.00 0.00 C ATOM 906 C LEU A 63 -3.784 2.284 2.713 1.00 0.00 C ATOM 907 O LEU A 63 -4.011 1.812 1.617 1.00 0.00 O ATOM 908 CB LEU A 63 -1.607 3.473 3.000 1.00 0.00 C ATOM 909 CG LEU A 63 -0.935 4.847 3.000 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.472 5.188 4.418 1.00 0.00 C ATOM 911 CD2 LEU A 63 0.276 4.821 2.064 1.00 0.00 C ATOM 0 H LEU A 63 -2.985 4.390 4.863 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.332 4.271 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.366 2.939 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.229 2.871 2.173 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.646 5.599 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.007 6.167 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.332 5.204 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.239 4.436 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.756 5.800 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.986 4.069 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.050 4.576 1.053 1.00 0.00 H new ATOM 923 N ILE A 64 -4.106 1.653 3.808 1.00 0.00 N ATOM 924 CA ILE A 64 -4.765 0.327 3.732 1.00 0.00 C ATOM 925 C ILE A 64 -6.176 0.506 3.172 1.00 0.00 C ATOM 926 O ILE A 64 -6.670 -0.321 2.435 1.00 0.00 O ATOM 927 CB ILE A 64 -4.839 -0.292 5.129 1.00 0.00 C ATOM 928 CG1 ILE A 64 -3.422 -0.577 5.630 1.00 0.00 C ATOM 929 CG2 ILE A 64 -5.630 -1.599 5.070 1.00 0.00 C ATOM 930 CD1 ILE A 64 -3.488 -1.273 6.990 1.00 0.00 C ATOM 0 H ILE A 64 -3.939 2.002 4.752 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.192 -0.333 3.081 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.336 0.400 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.892 -1.205 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.861 0.354 5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.682 -2.038 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.639 -1.398 4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.134 -2.294 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.477 -1.475 7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.001 -0.629 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.033 -2.212 6.892 1.00 0.00 H new ATOM 942 N ALA A 65 -6.824 1.589 3.512 1.00 0.00 N ATOM 943 CA ALA A 65 -8.201 1.832 2.995 1.00 0.00 C ATOM 944 C ALA A 65 -8.147 2.889 1.890 1.00 0.00 C ATOM 945 O ALA A 65 -9.136 3.513 1.563 1.00 0.00 O ATOM 946 CB ALA A 65 -9.093 2.330 4.133 1.00 0.00 C ATOM 0 H ALA A 65 -6.458 2.316 4.126 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.609 0.904 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.100 2.508 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.129 1.579 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.687 3.259 4.534 1.00 0.00 H new ATOM 952 N GLU A 66 -6.995 3.091 1.310 1.00 0.00 N ATOM 953 CA GLU A 66 -6.871 4.105 0.221 1.00 0.00 C ATOM 954 C GLU A 66 -6.756 3.387 -1.122 1.00 0.00 C ATOM 955 O GLU A 66 -7.315 3.808 -2.116 1.00 0.00 O ATOM 956 CB GLU A 66 -5.623 4.962 0.450 1.00 0.00 C ATOM 957 CG GLU A 66 -5.475 5.964 -0.697 1.00 0.00 C ATOM 958 CD GLU A 66 -6.226 7.251 -0.352 1.00 0.00 C ATOM 959 OE1 GLU A 66 -6.614 7.398 0.796 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.401 8.068 -1.241 1.00 0.00 O ATOM 0 H GLU A 66 -6.133 2.598 1.543 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.751 4.748 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.701 5.490 1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.739 4.327 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.421 6.181 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.868 5.537 -1.620 1.00 0.00 H new ATOM 967 N PHE A 67 -6.055 2.288 -1.153 1.00 0.00 N ATOM 968 CA PHE A 67 -5.922 1.523 -2.422 1.00 0.00 C ATOM 969 C PHE A 67 -6.898 0.359 -2.350 1.00 0.00 C ATOM 970 O PHE A 67 -7.409 -0.117 -3.343 1.00 0.00 O ATOM 971 CB PHE A 67 -4.492 0.996 -2.566 1.00 0.00 C ATOM 972 CG PHE A 67 -4.447 -0.054 -3.649 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.523 0.325 -4.997 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.328 -1.408 -3.309 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.480 -0.651 -6.003 1.00 0.00 C ATOM 976 CE2 PHE A 67 -4.285 -2.383 -4.314 1.00 0.00 C ATOM 977 CZ PHE A 67 -4.361 -2.004 -5.661 1.00 0.00 C ATOM 0 H PHE A 67 -5.568 1.887 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.138 2.158 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.815 1.814 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.153 0.573 -1.621 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.615 1.368 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.269 -1.700 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.539 -0.359 -7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.193 -3.426 -4.051 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.328 -2.756 -6.436 1.00 0.00 H new ATOM 987 N LEU A 68 -7.166 -0.084 -1.156 1.00 0.00 N ATOM 988 CA LEU A 68 -8.115 -1.196 -0.951 1.00 0.00 C ATOM 989 C LEU A 68 -9.382 -0.951 -1.774 1.00 0.00 C ATOM 990 O LEU A 68 -9.932 -1.856 -2.368 1.00 0.00 O ATOM 991 CB LEU A 68 -8.458 -1.230 0.534 1.00 0.00 C ATOM 992 CG LEU A 68 -7.725 -2.384 1.225 1.00 0.00 C ATOM 993 CD1 LEU A 68 -8.505 -3.682 1.023 1.00 0.00 C ATOM 994 CD2 LEU A 68 -6.315 -2.539 0.640 1.00 0.00 C ATOM 0 H LEU A 68 -6.756 0.289 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.679 -2.144 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.181 -0.284 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.534 -1.345 0.663 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.648 -2.166 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.982 -4.501 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.502 -3.578 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.589 -3.894 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.803 -3.362 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.385 -2.748 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.754 -1.617 0.793 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.848 0.267 -1.812 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.078 0.571 -2.594 1.00 0.00 C ATOM 1008 C GLN A 69 -10.705 0.803 -4.060 1.00 0.00 C ATOM 1009 O GLN A 69 -11.440 0.454 -4.960 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.741 1.831 -2.032 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.649 1.450 -0.861 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.324 2.706 -0.308 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.911 3.236 0.704 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.354 3.207 -0.933 1.00 0.00 N ATOM 0 H GLN A 69 -9.429 1.065 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.771 -0.267 -2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.981 2.538 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.321 2.327 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.403 0.734 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.066 0.963 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.701 2.762 -1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.812 4.044 -0.572 1.00 0.00 H new ATOM 1023 N SER A 70 -9.566 1.391 -4.306 1.00 0.00 N ATOM 1024 CA SER A 70 -9.148 1.645 -5.714 1.00 0.00 C ATOM 1025 C SER A 70 -9.294 0.358 -6.531 1.00 0.00 C ATOM 1026 O SER A 70 -9.569 0.393 -7.714 1.00 0.00 O ATOM 1027 CB SER A 70 -7.689 2.099 -5.738 1.00 0.00 C ATOM 1028 OG SER A 70 -7.634 3.511 -5.586 1.00 0.00 O ATOM 0 H SER A 70 -8.907 1.706 -3.594 1.00 0.00 H new ATOM 0 HA SER A 70 -9.779 2.423 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.132 1.613 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.220 1.804 -6.677 1.00 0.00 H new ATOM 0 HG SER A 70 -6.699 3.805 -5.599 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.112 -0.776 -5.911 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.240 -2.060 -6.656 1.00 0.00 C ATOM 1036 C GLN A 71 -10.584 -2.097 -7.383 1.00 0.00 C ATOM 1037 O GLN A 71 -10.661 -2.437 -8.548 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.160 -3.231 -5.675 1.00 0.00 C ATOM 1039 CG GLN A 71 -7.696 -3.511 -5.332 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.625 -4.480 -4.151 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.811 -4.317 -3.264 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.450 -5.490 -4.101 1.00 0.00 N ATOM 0 H GLN A 71 -8.880 -0.869 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.431 -2.139 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.719 -2.998 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.618 -4.118 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.184 -3.935 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.185 -2.581 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.134 -5.627 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.411 -6.142 -3.318 1.00 0.00 H new ATOM 1051 N LYS A 72 -11.642 -1.750 -6.707 1.00 0.00 N ATOM 1052 CA LYS A 72 -12.982 -1.765 -7.359 1.00 0.00 C ATOM 1053 C LYS A 72 -12.890 -1.082 -8.724 1.00 0.00 C ATOM 1054 O LYS A 72 -13.232 -1.655 -9.739 1.00 0.00 O ATOM 1055 CB LYS A 72 -13.985 -1.014 -6.481 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.326 -1.863 -5.254 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.720 -1.490 -4.747 1.00 0.00 C ATOM 1058 CE LYS A 72 -16.091 -2.386 -3.565 1.00 0.00 C ATOM 1059 NZ LYS A 72 -15.720 -1.707 -2.290 1.00 0.00 N ATOM 0 H LYS A 72 -11.638 -1.456 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.312 -2.796 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.566 -0.057 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.890 -0.796 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.292 -2.922 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.587 -1.701 -4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.740 -0.443 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.452 -1.604 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.160 -2.599 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.574 -3.342 -3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.972 -2.316 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.696 -1.525 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.233 -0.805 -2.215 1.00 0.00 H new ATOM 1073 N THR A 73 -12.429 0.138 -8.757 1.00 0.00 N ATOM 1074 CA THR A 73 -12.316 0.857 -10.058 1.00 0.00 C ATOM 1075 C THR A 73 -11.567 2.174 -9.850 1.00 0.00 C ATOM 1076 O THR A 73 -11.911 2.966 -8.995 1.00 0.00 O ATOM 1077 CB THR A 73 -13.717 1.147 -10.603 1.00 0.00 C ATOM 1078 OG1 THR A 73 -13.609 1.859 -11.827 1.00 0.00 O ATOM 1079 CG2 THR A 73 -14.496 1.986 -9.589 1.00 0.00 C ATOM 0 H THR A 73 -12.126 0.668 -7.940 1.00 0.00 H new ATOM 0 HA THR A 73 -11.770 0.238 -10.769 1.00 0.00 H new ATOM 0 HB THR A 73 -14.243 0.208 -10.774 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.505 2.044 -12.178 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.493 2.192 -9.977 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.578 1.438 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.972 2.926 -9.416 1.00 0.00 H new ATOM 1087 N ALA A 74 -10.546 2.416 -10.625 1.00 0.00 N ATOM 1088 CA ALA A 74 -9.776 3.682 -10.473 1.00 0.00 C ATOM 1089 C ALA A 74 -8.614 3.696 -11.468 1.00 0.00 C ATOM 1090 O ALA A 74 -8.592 4.475 -12.400 1.00 0.00 O ATOM 1091 CB ALA A 74 -9.227 3.778 -9.047 1.00 0.00 C ATOM 0 H ALA A 74 -10.211 1.791 -11.358 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.432 4.531 -10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.663 4.704 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.054 3.769 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.572 2.929 -8.851 1.00 0.00 H new ATOM 1097 N HIS A 75 -7.648 2.840 -11.278 1.00 0.00 N ATOM 1098 CA HIS A 75 -6.489 2.804 -12.213 1.00 0.00 C ATOM 1099 C HIS A 75 -6.469 1.462 -12.949 1.00 0.00 C ATOM 1100 O HIS A 75 -5.431 0.857 -13.128 1.00 0.00 O ATOM 1101 CB HIS A 75 -5.189 2.971 -11.423 1.00 0.00 C ATOM 1102 CG HIS A 75 -4.784 4.420 -11.425 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -4.876 5.211 -12.559 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -4.281 5.232 -10.440 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -4.439 6.441 -12.232 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -4.065 6.509 -10.952 1.00 0.00 N ATOM 0 H HIS A 75 -7.611 2.164 -10.515 1.00 0.00 H new ATOM 0 HA HIS A 75 -6.581 3.615 -12.936 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.325 2.622 -10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.401 2.361 -11.865 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -4.083 4.927 -9.423 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.396 7.272 -12.921 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.700 7.322 -10.456 1.00 0.00 H new ATOM 1114 N GLU A 76 -7.609 0.992 -13.376 1.00 0.00 N ATOM 1115 CA GLU A 76 -7.655 -0.310 -14.099 1.00 0.00 C ATOM 1116 C GLU A 76 -8.599 -0.193 -15.297 1.00 0.00 C ATOM 1117 O GLU A 76 -9.164 -1.169 -15.752 1.00 0.00 O ATOM 1118 CB GLU A 76 -8.163 -1.401 -13.153 1.00 0.00 C ATOM 1119 CG GLU A 76 -7.732 -2.773 -13.675 1.00 0.00 C ATOM 1120 CD GLU A 76 -8.187 -3.859 -12.697 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -7.674 -3.884 -11.591 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -9.041 -4.645 -13.073 1.00 0.00 O ATOM 0 H GLU A 76 -8.511 1.454 -13.255 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.655 -0.569 -14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.766 -1.241 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.249 -1.354 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.165 -2.951 -14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.649 -2.805 -13.792 1.00 0.00 H new ATOM 1129 N THR A 77 -8.775 0.994 -15.812 1.00 0.00 N ATOM 1130 CA THR A 77 -9.684 1.170 -16.980 1.00 0.00 C ATOM 1131 C THR A 77 -8.985 2.010 -18.051 1.00 0.00 C ATOM 1132 O THR A 77 -8.689 1.536 -19.130 1.00 0.00 O ATOM 1133 CB THR A 77 -10.961 1.882 -16.528 1.00 0.00 C ATOM 1134 OG1 THR A 77 -11.137 1.693 -15.130 1.00 0.00 O ATOM 1135 CG2 THR A 77 -12.163 1.304 -17.277 1.00 0.00 C ATOM 0 H THR A 77 -8.330 1.847 -15.475 1.00 0.00 H new ATOM 0 HA THR A 77 -9.937 0.194 -17.393 1.00 0.00 H new ATOM 0 HB THR A 77 -10.879 2.947 -16.744 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.954 2.150 -14.838 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.072 1.812 -16.954 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.028 1.449 -18.349 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.247 0.239 -17.063 1.00 0.00 H new ATOM 1143 N ASP A 78 -8.716 3.254 -17.762 1.00 0.00 N ATOM 1144 CA ASP A 78 -8.035 4.121 -18.764 1.00 0.00 C ATOM 1145 C ASP A 78 -6.618 3.601 -19.010 1.00 0.00 C ATOM 1146 O ASP A 78 -5.966 3.102 -18.113 1.00 0.00 O ATOM 1147 CB ASP A 78 -7.968 5.556 -18.235 1.00 0.00 C ATOM 1148 CG ASP A 78 -9.385 6.075 -17.984 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -10.070 5.491 -17.160 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -9.760 7.046 -18.618 1.00 0.00 O ATOM 0 H ASP A 78 -8.938 3.707 -16.876 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.595 4.104 -19.699 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.389 5.588 -17.312 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.457 6.196 -18.954 1.00 0.00 H new ATOM 1155 N LYS A 79 -6.135 3.712 -20.217 1.00 0.00 N ATOM 1156 CA LYS A 79 -4.759 3.224 -20.518 1.00 0.00 C ATOM 1157 C LYS A 79 -4.308 3.773 -21.872 1.00 0.00 C ATOM 1158 O LYS A 79 -5.113 4.075 -22.731 1.00 0.00 O ATOM 1159 CB LYS A 79 -4.758 1.694 -20.563 1.00 0.00 C ATOM 1160 CG LYS A 79 -5.701 1.216 -21.670 1.00 0.00 C ATOM 1161 CD LYS A 79 -5.028 0.095 -22.465 1.00 0.00 C ATOM 1162 CE LYS A 79 -5.858 -0.219 -23.709 1.00 0.00 C ATOM 1163 NZ LYS A 79 -5.867 -1.692 -23.941 1.00 0.00 N ATOM 0 H LYS A 79 -6.634 4.120 -21.008 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.075 3.565 -19.741 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.749 1.325 -20.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.075 1.291 -19.601 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.636 0.859 -21.237 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.952 2.045 -22.331 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.020 0.394 -22.753 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.931 -0.797 -21.845 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.877 0.146 -23.581 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.442 0.294 -24.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.432 -1.907 -24.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.893 -2.027 -24.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.283 -2.171 -23.117 1.00 0.00 H new ATOM 1177 N SER A 80 -3.025 3.904 -22.072 1.00 0.00 N ATOM 1178 CA SER A 80 -2.522 4.432 -23.369 1.00 0.00 C ATOM 1179 C SER A 80 -2.884 3.457 -24.491 1.00 0.00 C ATOM 1180 O SER A 80 -3.868 3.705 -25.170 1.00 0.00 O ATOM 1181 CB SER A 80 -1.003 4.590 -23.301 1.00 0.00 C ATOM 1182 OG SER A 80 -0.553 5.308 -24.442 1.00 0.00 O ATOM 1183 OXT SER A 80 -2.172 2.480 -24.654 1.00 0.00 O ATOM 0 H SER A 80 -2.303 3.667 -21.391 1.00 0.00 H new ATOM 0 HA SER A 80 -2.979 5.401 -23.568 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.721 5.119 -22.390 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.526 3.611 -23.262 1.00 0.00 H new ATOM 0 HG SER A 80 0.421 5.412 -24.400 1.00 0.00 H new TER 1189 SER A 80