USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 TYR OH : rot 130:sc= 0.9 USER MOD Set 1.2: A 14 SER OG : rot -59:sc= 1.29 USER MOD Set 2.1: A 1 LYS NZ :NH3+ 152:sc= 1.64 (180deg=0.078) USER MOD Set 2.2: A 3 THR OG1 : rot -110:sc= 0.754 USER MOD Single : A 1 LYS N :NH3+ 144:sc= 0.0577 (180deg=-0.0129) USER MOD Single : A 4 MET CE :methyl -179:sc= 0 (180deg=-0.00858) USER MOD Single : A 5 GLN : amide:sc= 0.76 K(o=0.76,f=-0.017) USER MOD Single : A 9 ASN : amide:sc= 0.996 K(o=1,f=-0.097) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.417 (180deg=0.415) USER MOD Single : A 17 SER OG : rot 180:sc= 0.194 USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 1.44 (180deg=1.14) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.881) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0266 (180deg=-0.461) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.633) USER MOD Single : A 26 TYR OH : rot 177:sc= 1.31 USER MOD Single : A 38 ASN : amide:sc= 1.73 K(o=1.7,f=-5.5!) USER MOD Single : A 47 HIS : no HE2:sc= 0.75 K(o=0.75,f=-3.4!) USER MOD Single : A 48 GLN : amide:sc= 0.255 K(o=0.25,f=-4.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.37 K(o=1.4,f=-4.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= 0.878 (180deg=0.0928) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 74 ASN : amide:sc= 2.1 K(o=2.1,f=-8.7!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -154:sc= 1.49 USER MOD Single : A 84 ASN : amide:sc= 0.47 K(o=0.47,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.978 18.542 -7.522 1.00 0.00 N ATOM 2 CA LYS A 1 1.791 17.838 -8.804 1.00 0.00 C ATOM 3 C LYS A 1 1.325 16.398 -8.580 1.00 0.00 C ATOM 4 O LYS A 1 1.504 15.852 -7.492 1.00 0.00 O ATOM 5 CB LYS A 1 3.078 17.869 -9.646 1.00 0.00 C ATOM 6 CG LYS A 1 4.273 17.215 -8.935 1.00 0.00 C ATOM 7 CD LYS A 1 5.463 17.113 -9.899 1.00 0.00 C ATOM 8 CE LYS A 1 6.716 16.555 -9.211 1.00 0.00 C ATOM 9 NZ LYS A 1 6.473 15.229 -8.615 1.00 0.00 N ATOM 0 H1 LYS A 1 2.791 19.187 -7.595 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.122 19.088 -7.298 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.153 17.848 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 1 1.012 18.362 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.900 17.357 -10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.325 18.903 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.552 17.802 -8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.997 16.223 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.195 16.472 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.683 18.099 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.527 16.484 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.042 17.247 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.363 14.691 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.113 15.345 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.772 14.715 -9.186 1.00 0.00 H new ATOM 25 N ALA A 2 0.743 15.784 -9.611 1.00 0.00 N ATOM 26 CA ALA A 2 0.450 14.360 -9.630 1.00 0.00 C ATOM 27 C ALA A 2 1.661 13.653 -10.239 1.00 0.00 C ATOM 28 O ALA A 2 2.203 14.118 -11.244 1.00 0.00 O ATOM 29 CB ALA A 2 -0.813 14.103 -10.454 1.00 0.00 C ATOM 0 H ALA A 2 0.461 16.271 -10.462 1.00 0.00 H new ATOM 0 HA ALA A 2 0.267 13.980 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.029 13.035 -10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.652 14.638 -10.010 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.659 14.453 -11.475 1.00 0.00 H new ATOM 35 N THR A 3 2.114 12.551 -9.644 1.00 0.00 N ATOM 36 CA THR A 3 3.159 11.691 -10.184 1.00 0.00 C ATOM 37 C THR A 3 2.917 10.311 -9.567 1.00 0.00 C ATOM 38 O THR A 3 2.257 10.235 -8.535 1.00 0.00 O ATOM 39 CB THR A 3 4.555 12.255 -9.849 1.00 0.00 C ATOM 40 OG1 THR A 3 4.608 13.653 -10.054 1.00 0.00 O ATOM 41 CG2 THR A 3 5.652 11.632 -10.719 1.00 0.00 C ATOM 0 H THR A 3 1.752 12.225 -8.748 1.00 0.00 H new ATOM 0 HA THR A 3 3.126 11.631 -11.272 1.00 0.00 H new ATOM 0 HB THR A 3 4.726 12.011 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.173 13.849 -10.830 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.618 12.059 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.674 10.554 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.445 11.839 -11.769 1.00 0.00 H new ATOM 49 N MET A 4 3.404 9.235 -10.189 1.00 0.00 N ATOM 50 CA MET A 4 3.053 7.867 -9.813 1.00 0.00 C ATOM 51 C MET A 4 1.537 7.659 -9.960 1.00 0.00 C ATOM 52 O MET A 4 0.902 8.330 -10.772 1.00 0.00 O ATOM 53 CB MET A 4 3.612 7.473 -8.428 1.00 0.00 C ATOM 54 CG MET A 4 5.129 7.679 -8.318 1.00 0.00 C ATOM 55 SD MET A 4 5.687 9.337 -7.851 1.00 0.00 S ATOM 56 CE MET A 4 7.468 9.096 -8.001 1.00 0.00 C ATOM 0 H MET A 4 4.056 9.290 -10.971 1.00 0.00 H new ATOM 0 HA MET A 4 3.539 7.176 -10.502 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.113 8.063 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.377 6.427 -8.230 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.518 6.970 -7.587 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.578 7.426 -9.278 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.984 10.018 -7.732 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.784 8.295 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.714 8.830 -9.029 1.00 0.00 H new ATOM 66 N GLN A 5 0.956 6.704 -9.226 1.00 0.00 N ATOM 67 CA GLN A 5 -0.419 6.281 -9.445 1.00 0.00 C ATOM 68 C GLN A 5 -1.419 7.393 -9.128 1.00 0.00 C ATOM 69 O GLN A 5 -2.264 7.706 -9.968 1.00 0.00 O ATOM 70 CB GLN A 5 -0.705 5.014 -8.625 1.00 0.00 C ATOM 71 CG GLN A 5 -2.163 4.531 -8.706 1.00 0.00 C ATOM 72 CD GLN A 5 -2.606 4.164 -10.121 1.00 0.00 C ATOM 73 OE1 GLN A 5 -2.617 2.995 -10.485 1.00 0.00 O ATOM 74 NE2 GLN A 5 -2.986 5.148 -10.932 1.00 0.00 N ATOM 0 H GLN A 5 1.428 6.209 -8.469 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.543 6.052 -10.503 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.049 4.215 -8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.454 5.205 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.286 3.663 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.818 5.312 -8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.968 6.114 -10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.295 4.936 -11.881 1.00 0.00 H new ATOM 83 N CYS A 6 -1.384 7.906 -7.895 1.00 0.00 N ATOM 84 CA CYS A 6 -2.365 8.831 -7.324 1.00 0.00 C ATOM 85 C CYS A 6 -3.761 8.206 -7.253 1.00 0.00 C ATOM 86 O CYS A 6 -4.252 7.894 -6.169 1.00 0.00 O ATOM 87 CB CYS A 6 -2.374 10.187 -8.049 1.00 0.00 C ATOM 88 SG CYS A 6 -0.838 11.138 -7.969 1.00 0.00 S ATOM 0 H CYS A 6 -0.637 7.677 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.053 9.030 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.617 10.015 -9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.177 10.795 -7.631 1.00 0.00 H new ATOM 93 N GLY A 7 -4.409 8.009 -8.402 1.00 0.00 N ATOM 94 CA GLY A 7 -5.708 7.366 -8.514 1.00 0.00 C ATOM 95 C GLY A 7 -6.836 8.281 -8.038 1.00 0.00 C ATOM 96 O GLY A 7 -7.680 8.685 -8.834 1.00 0.00 O ATOM 0 H GLY A 7 -4.030 8.302 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.884 7.081 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.711 6.448 -7.926 1.00 0.00 H new ATOM 100 N GLU A 8 -6.858 8.581 -6.738 1.00 0.00 N ATOM 101 CA GLU A 8 -7.871 9.420 -6.113 1.00 0.00 C ATOM 102 C GLU A 8 -7.346 10.856 -5.980 1.00 0.00 C ATOM 103 O GLU A 8 -6.381 11.232 -6.645 1.00 0.00 O ATOM 104 CB GLU A 8 -8.299 8.788 -4.776 1.00 0.00 C ATOM 105 CG GLU A 8 -8.800 7.353 -5.000 1.00 0.00 C ATOM 106 CD GLU A 8 -9.515 6.794 -3.773 1.00 0.00 C ATOM 107 OE1 GLU A 8 -10.561 7.378 -3.414 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.015 5.782 -3.237 1.00 0.00 O ATOM 0 H GLU A 8 -6.157 8.239 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.766 9.480 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.458 8.783 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.086 9.388 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.478 7.336 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.956 6.710 -5.251 1.00 0.00 H new ATOM 115 N ASN A 9 -7.977 11.661 -5.118 1.00 0.00 N ATOM 116 CA ASN A 9 -7.650 13.068 -4.902 1.00 0.00 C ATOM 117 C ASN A 9 -6.325 13.196 -4.136 1.00 0.00 C ATOM 118 O ASN A 9 -6.299 13.582 -2.963 1.00 0.00 O ATOM 119 CB ASN A 9 -8.834 13.734 -4.183 1.00 0.00 C ATOM 120 CG ASN A 9 -8.703 15.253 -4.101 1.00 0.00 C ATOM 121 OD1 ASN A 9 -9.319 15.978 -4.874 1.00 0.00 O ATOM 122 ND2 ASN A 9 -7.911 15.745 -3.160 1.00 0.00 N ATOM 0 H ASN A 9 -8.751 11.339 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.498 13.585 -5.849 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.757 13.482 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.916 13.327 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.800 16.754 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.412 15.115 -2.532 1.00 0.00 H new ATOM 129 N GLU A 10 -5.224 12.841 -4.806 1.00 0.00 N ATOM 130 CA GLU A 10 -3.888 12.739 -4.245 1.00 0.00 C ATOM 131 C GLU A 10 -2.908 13.683 -4.948 1.00 0.00 C ATOM 132 O GLU A 10 -3.134 14.090 -6.084 1.00 0.00 O ATOM 133 CB GLU A 10 -3.420 11.281 -4.347 1.00 0.00 C ATOM 134 CG GLU A 10 -4.401 10.290 -3.702 1.00 0.00 C ATOM 135 CD GLU A 10 -3.706 9.044 -3.164 1.00 0.00 C ATOM 136 OE1 GLU A 10 -2.689 8.643 -3.769 1.00 0.00 O ATOM 137 OE2 GLU A 10 -4.190 8.528 -2.132 1.00 0.00 O ATOM 0 H GLU A 10 -5.249 12.608 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.917 13.042 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.287 11.020 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.446 11.183 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.931 10.786 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.150 9.995 -4.437 1.00 0.00 H new ATOM 144 N LYS A 11 -1.810 14.005 -4.259 1.00 0.00 N ATOM 145 CA LYS A 11 -0.688 14.803 -4.725 1.00 0.00 C ATOM 146 C LYS A 11 0.598 14.049 -4.374 1.00 0.00 C ATOM 147 O LYS A 11 0.624 13.263 -3.424 1.00 0.00 O ATOM 148 CB LYS A 11 -0.753 16.181 -4.047 1.00 0.00 C ATOM 149 CG LYS A 11 0.492 17.049 -4.263 1.00 0.00 C ATOM 150 CD LYS A 11 0.294 18.442 -3.651 1.00 0.00 C ATOM 151 CE LYS A 11 1.594 19.255 -3.690 1.00 0.00 C ATOM 152 NZ LYS A 11 2.608 18.714 -2.767 1.00 0.00 N ATOM 0 H LYS A 11 -1.679 13.691 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.716 14.961 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.625 16.717 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.902 16.040 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.360 16.568 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.697 17.141 -5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.487 18.973 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.046 18.344 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.991 19.257 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.382 20.292 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.488 19.260 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.260 18.783 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.792 17.717 -2.999 1.00 0.00 H new ATOM 166 N TYR A 12 1.651 14.280 -5.162 1.00 0.00 N ATOM 167 CA TYR A 12 2.985 13.750 -4.943 1.00 0.00 C ATOM 168 C TYR A 12 3.497 14.104 -3.538 1.00 0.00 C ATOM 169 O TYR A 12 3.300 15.233 -3.085 1.00 0.00 O ATOM 170 CB TYR A 12 3.917 14.322 -6.018 1.00 0.00 C ATOM 171 CG TYR A 12 5.382 14.055 -5.749 1.00 0.00 C ATOM 172 CD1 TYR A 12 5.924 12.786 -6.013 1.00 0.00 C ATOM 173 CD2 TYR A 12 6.145 15.014 -5.057 1.00 0.00 C ATOM 174 CE1 TYR A 12 7.237 12.488 -5.615 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.432 14.691 -4.602 1.00 0.00 C ATOM 176 CZ TYR A 12 7.970 13.420 -4.861 1.00 0.00 C ATOM 177 OH TYR A 12 9.179 13.076 -4.341 1.00 0.00 O ATOM 0 H TYR A 12 1.588 14.862 -5.997 1.00 0.00 H new ATOM 0 HA TYR A 12 2.960 12.663 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.649 13.895 -6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.759 15.398 -6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.331 12.040 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.740 15.999 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.683 11.543 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.009 15.420 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 12 9.841 13.762 -4.570 1.00 0.00 H new ATOM 187 N ASP A 13 4.197 13.177 -2.873 1.00 0.00 N ATOM 188 CA ASP A 13 4.858 13.434 -1.598 1.00 0.00 C ATOM 189 C ASP A 13 6.069 12.495 -1.453 1.00 0.00 C ATOM 190 O ASP A 13 6.056 11.377 -1.969 1.00 0.00 O ATOM 191 CB ASP A 13 3.827 13.326 -0.465 1.00 0.00 C ATOM 192 CG ASP A 13 4.281 13.961 0.848 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.491 14.255 0.977 1.00 0.00 O ATOM 194 OD2 ASP A 13 3.390 14.170 1.700 1.00 0.00 O ATOM 0 H ASP A 13 4.319 12.222 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 13 5.257 14.447 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.899 13.800 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.603 12.274 -0.290 1.00 0.00 H new ATOM 199 N SER A 14 7.145 12.984 -0.825 1.00 0.00 N ATOM 200 CA SER A 14 8.456 12.341 -0.790 1.00 0.00 C ATOM 201 C SER A 14 8.763 11.423 0.411 1.00 0.00 C ATOM 202 O SER A 14 9.905 11.454 0.864 1.00 0.00 O ATOM 203 CB SER A 14 9.525 13.443 -0.870 1.00 0.00 C ATOM 204 OG SER A 14 9.251 14.358 -1.920 1.00 0.00 O ATOM 0 H SER A 14 7.122 13.866 -0.313 1.00 0.00 H new ATOM 0 HA SER A 14 8.460 11.660 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.569 13.978 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.504 12.991 -1.026 1.00 0.00 H new ATOM 0 HG SER A 14 9.215 13.876 -2.773 1.00 0.00 H new ATOM 210 N CYS A 15 7.851 10.568 0.894 1.00 0.00 N ATOM 211 CA CYS A 15 8.173 9.579 1.937 1.00 0.00 C ATOM 212 C CYS A 15 6.998 8.647 2.248 1.00 0.00 C ATOM 213 O CYS A 15 6.283 8.840 3.235 1.00 0.00 O ATOM 214 CB CYS A 15 8.630 10.223 3.254 1.00 0.00 C ATOM 215 SG CYS A 15 9.106 9.010 4.518 1.00 0.00 S ATOM 0 H CYS A 15 6.881 10.540 0.579 1.00 0.00 H new ATOM 0 HA CYS A 15 8.996 9.002 1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.476 10.881 3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.826 10.847 3.644 1.00 0.00 H new ATOM 220 N GLY A 16 6.821 7.614 1.427 1.00 0.00 N ATOM 221 CA GLY A 16 5.833 6.562 1.609 1.00 0.00 C ATOM 222 C GLY A 16 4.943 6.448 0.377 1.00 0.00 C ATOM 223 O GLY A 16 4.913 7.354 -0.452 1.00 0.00 O ATOM 0 H GLY A 16 7.385 7.485 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.334 5.612 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.223 6.775 2.487 1.00 0.00 H new ATOM 227 N SER A 17 4.194 5.346 0.276 1.00 0.00 N ATOM 228 CA SER A 17 3.178 5.171 -0.743 1.00 0.00 C ATOM 229 C SER A 17 1.993 6.079 -0.393 1.00 0.00 C ATOM 230 O SER A 17 2.044 7.295 -0.569 1.00 0.00 O ATOM 231 CB SER A 17 2.824 3.680 -0.821 1.00 0.00 C ATOM 232 OG SER A 17 2.459 3.203 0.464 1.00 0.00 O ATOM 0 H SER A 17 4.283 4.550 0.908 1.00 0.00 H new ATOM 0 HA SER A 17 3.519 5.463 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.003 3.528 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.675 3.114 -1.200 1.00 0.00 H new ATOM 0 HG SER A 17 2.232 2.251 0.407 1.00 0.00 H new ATOM 238 N LYS A 18 0.945 5.501 0.188 1.00 0.00 N ATOM 239 CA LYS A 18 -0.153 6.253 0.775 1.00 0.00 C ATOM 240 C LYS A 18 0.319 6.615 2.172 1.00 0.00 C ATOM 241 O LYS A 18 -0.092 6.013 3.162 1.00 0.00 O ATOM 242 CB LYS A 18 -1.440 5.415 0.767 1.00 0.00 C ATOM 243 CG LYS A 18 -2.141 5.371 -0.600 1.00 0.00 C ATOM 244 CD LYS A 18 -1.223 5.075 -1.795 1.00 0.00 C ATOM 245 CE LYS A 18 -2.018 4.745 -3.065 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.984 5.802 -3.414 1.00 0.00 N ATOM 0 H LYS A 18 0.836 4.490 0.264 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.402 7.155 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.202 4.397 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.131 5.820 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.923 4.612 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.634 6.328 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.583 5.937 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.568 4.239 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.327 4.600 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.549 3.804 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.322 5.656 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.790 5.766 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.522 6.731 -3.344 1.00 0.00 H new ATOM 260 N GLU A 19 1.254 7.567 2.196 1.00 0.00 N ATOM 261 CA GLU A 19 2.004 7.980 3.361 1.00 0.00 C ATOM 262 C GLU A 19 1.142 8.020 4.621 1.00 0.00 C ATOM 263 O GLU A 19 0.115 8.705 4.654 1.00 0.00 O ATOM 264 CB GLU A 19 2.609 9.364 3.130 1.00 0.00 C ATOM 265 CG GLU A 19 3.426 9.473 1.840 1.00 0.00 C ATOM 266 CD GLU A 19 4.338 10.693 1.836 1.00 0.00 C ATOM 267 OE1 GLU A 19 4.224 11.517 2.771 1.00 0.00 O ATOM 268 OE2 GLU A 19 5.145 10.780 0.887 1.00 0.00 O ATOM 0 H GLU A 19 1.513 8.089 1.359 1.00 0.00 H new ATOM 0 HA GLU A 19 2.790 7.240 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.807 10.101 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.248 9.617 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.027 8.572 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.749 9.525 0.987 1.00 0.00 H new ATOM 275 N CYS A 20 1.627 7.361 5.680 1.00 0.00 N ATOM 276 CA CYS A 20 1.066 7.458 7.022 1.00 0.00 C ATOM 277 C CYS A 20 0.825 8.921 7.396 1.00 0.00 C ATOM 278 O CYS A 20 -0.103 9.230 8.133 1.00 0.00 O ATOM 279 CB CYS A 20 1.985 6.759 8.023 1.00 0.00 C ATOM 280 SG CYS A 20 1.366 6.810 9.716 1.00 0.00 S ATOM 0 H CYS A 20 2.432 6.738 5.622 1.00 0.00 H new ATOM 0 HA CYS A 20 0.100 6.954 7.046 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.115 5.719 7.722 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.969 7.226 7.989 1.00 0.00 H new ATOM 285 N ASP A 21 1.642 9.822 6.840 1.00 0.00 N ATOM 286 CA ASP A 21 1.486 11.267 6.853 1.00 0.00 C ATOM 287 C ASP A 21 0.016 11.698 6.841 1.00 0.00 C ATOM 288 O ASP A 21 -0.409 12.478 7.687 1.00 0.00 O ATOM 289 CB ASP A 21 2.184 11.838 5.611 1.00 0.00 C ATOM 290 CG ASP A 21 2.361 13.344 5.744 1.00 0.00 C ATOM 291 OD1 ASP A 21 3.321 13.738 6.439 1.00 0.00 O ATOM 292 OD2 ASP A 21 1.527 14.072 5.167 1.00 0.00 O ATOM 0 H ASP A 21 2.482 9.535 6.338 1.00 0.00 H new ATOM 0 HA ASP A 21 1.929 11.647 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.156 11.362 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.597 11.612 4.721 1.00 0.00 H new ATOM 297 N LYS A 22 -0.745 11.218 5.854 1.00 0.00 N ATOM 298 CA LYS A 22 -2.131 11.623 5.656 1.00 0.00 C ATOM 299 C LYS A 22 -3.134 10.698 6.351 1.00 0.00 C ATOM 300 O LYS A 22 -4.314 10.745 6.011 1.00 0.00 O ATOM 301 CB LYS A 22 -2.419 11.735 4.152 1.00 0.00 C ATOM 302 CG LYS A 22 -1.505 12.727 3.416 1.00 0.00 C ATOM 303 CD LYS A 22 -1.579 14.143 4.006 1.00 0.00 C ATOM 304 CE LYS A 22 -0.944 15.181 3.072 1.00 0.00 C ATOM 305 NZ LYS A 22 0.419 14.803 2.657 1.00 0.00 N ATOM 0 H LYS A 22 -0.413 10.537 5.171 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.262 12.598 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.311 10.750 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.456 12.039 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.476 12.371 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.784 12.761 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.621 14.407 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.071 14.162 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.570 15.301 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.913 16.148 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.887 15.620 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.964 14.500 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.369 14.021 1.973 1.00 0.00 H new ATOM 319 N LYS A 23 -2.720 9.828 7.277 1.00 0.00 N ATOM 320 CA LYS A 23 -3.664 8.915 7.917 1.00 0.00 C ATOM 321 C LYS A 23 -4.719 9.688 8.713 1.00 0.00 C ATOM 322 O LYS A 23 -4.525 10.856 9.047 1.00 0.00 O ATOM 323 CB LYS A 23 -2.926 7.864 8.764 1.00 0.00 C ATOM 324 CG LYS A 23 -2.199 8.401 10.010 1.00 0.00 C ATOM 325 CD LYS A 23 -3.070 8.412 11.273 1.00 0.00 C ATOM 326 CE LYS A 23 -2.247 8.687 12.537 1.00 0.00 C ATOM 327 NZ LYS A 23 -1.325 7.580 12.850 1.00 0.00 N ATOM 0 H LYS A 23 -1.755 9.739 7.594 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.200 8.367 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.646 7.110 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.197 7.360 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.314 7.792 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.852 9.415 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.845 9.172 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.577 7.452 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.677 9.607 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.920 8.847 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.033 7.643 13.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.805 6.672 12.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.486 7.643 12.238 1.00 0.00 H new ATOM 341 N CYS A 24 -5.838 9.033 9.036 1.00 0.00 N ATOM 342 CA CYS A 24 -6.877 9.625 9.873 1.00 0.00 C ATOM 343 C CYS A 24 -6.335 9.901 11.280 1.00 0.00 C ATOM 344 O CYS A 24 -6.415 9.060 12.172 1.00 0.00 O ATOM 345 CB CYS A 24 -8.141 8.754 9.873 1.00 0.00 C ATOM 346 SG CYS A 24 -9.397 9.191 11.105 1.00 0.00 S ATOM 0 H CYS A 24 -6.045 8.084 8.725 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.171 10.588 9.455 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.596 8.806 8.884 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.846 7.717 10.034 1.00 0.00 H new ATOM 351 N LYS A 25 -5.741 11.084 11.444 1.00 0.00 N ATOM 352 CA LYS A 25 -5.211 11.640 12.678 1.00 0.00 C ATOM 353 C LYS A 25 -6.209 12.710 13.123 1.00 0.00 C ATOM 354 O LYS A 25 -6.568 13.571 12.322 1.00 0.00 O ATOM 355 CB LYS A 25 -3.827 12.236 12.370 1.00 0.00 C ATOM 356 CG LYS A 25 -2.897 12.380 13.581 1.00 0.00 C ATOM 357 CD LYS A 25 -3.327 13.433 14.615 1.00 0.00 C ATOM 358 CE LYS A 25 -3.438 14.853 14.046 1.00 0.00 C ATOM 359 NZ LYS A 25 -2.190 15.273 13.385 1.00 0.00 N ATOM 0 H LYS A 25 -5.611 11.720 10.657 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.088 10.903 13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.336 11.608 11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.964 13.218 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.824 11.413 14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.898 12.631 13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.291 13.144 15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.610 13.436 15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.260 14.896 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.677 15.550 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.158 16.311 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.375 14.929 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.155 14.875 12.425 1.00 0.00 H new ATOM 373 N TYR A 26 -6.701 12.640 14.364 1.00 0.00 N ATOM 374 CA TYR A 26 -7.813 13.481 14.788 1.00 0.00 C ATOM 375 C TYR A 26 -7.792 13.794 16.282 1.00 0.00 C ATOM 376 O TYR A 26 -7.500 14.921 16.674 1.00 0.00 O ATOM 377 CB TYR A 26 -9.165 12.882 14.354 1.00 0.00 C ATOM 378 CG TYR A 26 -9.464 11.449 14.783 1.00 0.00 C ATOM 379 CD1 TYR A 26 -8.649 10.388 14.348 1.00 0.00 C ATOM 380 CD2 TYR A 26 -10.498 11.186 15.701 1.00 0.00 C ATOM 381 CE1 TYR A 26 -8.778 9.111 14.912 1.00 0.00 C ATOM 382 CE2 TYR A 26 -10.629 9.905 16.265 1.00 0.00 C ATOM 383 CZ TYR A 26 -9.753 8.872 15.890 1.00 0.00 C ATOM 384 OH TYR A 26 -9.823 7.647 16.477 1.00 0.00 O ATOM 0 H TYR A 26 -6.346 12.012 15.085 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.687 14.436 14.278 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.958 13.522 14.741 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.221 12.927 13.266 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.917 10.559 13.572 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.191 11.969 15.972 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.126 8.311 14.593 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.406 9.714 16.990 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.518 7.654 17.168 1.00 0.00 H new ATOM 394 N ASP A 27 -8.137 12.809 17.107 1.00 0.00 N ATOM 395 CA ASP A 27 -8.400 13.007 18.522 1.00 0.00 C ATOM 396 C ASP A 27 -7.164 12.747 19.364 1.00 0.00 C ATOM 397 O ASP A 27 -6.790 11.591 19.551 1.00 0.00 O ATOM 398 CB ASP A 27 -9.571 12.103 18.929 1.00 0.00 C ATOM 399 CG ASP A 27 -9.985 12.215 20.395 1.00 0.00 C ATOM 400 OD1 ASP A 27 -9.303 12.920 21.170 1.00 0.00 O ATOM 401 OD2 ASP A 27 -11.025 11.607 20.711 1.00 0.00 O ATOM 0 H ASP A 27 -8.242 11.841 16.804 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.669 14.048 18.701 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.431 12.342 18.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.303 11.068 18.720 1.00 0.00 H new ATOM 406 N GLY A 28 -6.580 13.811 19.923 1.00 0.00 N ATOM 407 CA GLY A 28 -5.464 13.664 20.843 1.00 0.00 C ATOM 408 C GLY A 28 -5.816 12.701 21.978 1.00 0.00 C ATOM 409 O GLY A 28 -5.155 11.676 22.149 1.00 0.00 O ATOM 0 H GLY A 28 -6.864 14.776 19.752 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.590 13.295 20.305 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.197 14.637 21.256 1.00 0.00 H new ATOM 413 N VAL A 29 -6.886 13.003 22.723 1.00 0.00 N ATOM 414 CA VAL A 29 -7.324 12.242 23.894 1.00 0.00 C ATOM 415 C VAL A 29 -8.102 10.988 23.465 1.00 0.00 C ATOM 416 O VAL A 29 -9.225 10.753 23.902 1.00 0.00 O ATOM 417 CB VAL A 29 -8.146 13.135 24.850 1.00 0.00 C ATOM 418 CG1 VAL A 29 -8.237 12.505 26.248 1.00 0.00 C ATOM 419 CG2 VAL A 29 -7.522 14.526 25.007 1.00 0.00 C ATOM 0 H VAL A 29 -7.485 13.804 22.521 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.444 11.906 24.442 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.137 13.226 24.406 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.821 13.153 26.902 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.721 11.531 26.177 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.235 12.384 26.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.130 15.123 25.687 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.514 14.429 25.411 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.477 15.017 24.035 1.00 0.00 H new ATOM 429 N GLU A 30 -7.495 10.180 22.598 1.00 0.00 N ATOM 430 CA GLU A 30 -7.985 8.883 22.151 1.00 0.00 C ATOM 431 C GLU A 30 -6.839 8.211 21.399 1.00 0.00 C ATOM 432 O GLU A 30 -6.498 7.063 21.669 1.00 0.00 O ATOM 433 CB GLU A 30 -9.230 9.053 21.267 1.00 0.00 C ATOM 434 CG GLU A 30 -9.926 7.737 20.904 1.00 0.00 C ATOM 435 CD GLU A 30 -11.181 8.004 20.074 1.00 0.00 C ATOM 436 OE1 GLU A 30 -12.209 8.378 20.682 1.00 0.00 O ATOM 437 OE2 GLU A 30 -11.087 7.849 18.837 1.00 0.00 O ATOM 0 H GLU A 30 -6.604 10.427 22.168 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.291 8.262 22.993 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.942 9.698 21.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.943 9.565 20.348 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.242 7.100 20.344 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.192 7.197 21.813 1.00 0.00 H new ATOM 444 N GLU A 31 -6.224 8.960 20.479 1.00 0.00 N ATOM 445 CA GLU A 31 -5.047 8.533 19.749 1.00 0.00 C ATOM 446 C GLU A 31 -3.877 8.331 20.718 1.00 0.00 C ATOM 447 O GLU A 31 -3.265 7.266 20.715 1.00 0.00 O ATOM 448 CB GLU A 31 -4.753 9.585 18.674 1.00 0.00 C ATOM 449 CG GLU A 31 -3.707 9.136 17.654 1.00 0.00 C ATOM 450 CD GLU A 31 -3.501 10.226 16.610 1.00 0.00 C ATOM 451 OE1 GLU A 31 -4.511 10.622 15.983 1.00 0.00 O ATOM 452 OE2 GLU A 31 -2.337 10.650 16.461 1.00 0.00 O ATOM 0 H GLU A 31 -6.543 9.895 20.223 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.209 7.573 19.258 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.678 9.828 18.151 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.410 10.500 19.156 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.765 8.919 18.157 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.030 8.214 17.171 1.00 0.00 H new ATOM 459 N GLU A 32 -3.581 9.352 21.535 1.00 0.00 N ATOM 460 CA GLU A 32 -2.564 9.346 22.588 1.00 0.00 C ATOM 461 C GLU A 32 -1.295 8.574 22.202 1.00 0.00 C ATOM 462 O GLU A 32 -0.826 7.736 22.971 1.00 0.00 O ATOM 463 CB GLU A 32 -3.167 8.806 23.897 1.00 0.00 C ATOM 464 CG GLU A 32 -4.408 9.601 24.325 1.00 0.00 C ATOM 465 CD GLU A 32 -5.015 9.139 25.646 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.313 8.424 26.394 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.179 9.525 25.887 1.00 0.00 O ATOM 0 H GLU A 32 -4.069 10.245 21.474 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.248 10.379 22.734 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.434 7.757 23.768 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.417 8.849 24.687 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.141 10.655 24.408 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.164 9.524 23.543 1.00 0.00 H new ATOM 474 N ASP A 33 -0.736 8.847 21.019 1.00 0.00 N ATOM 475 CA ASP A 33 0.381 8.074 20.493 1.00 0.00 C ATOM 476 C ASP A 33 1.104 8.843 19.389 1.00 0.00 C ATOM 477 O ASP A 33 2.137 9.457 19.638 1.00 0.00 O ATOM 478 CB ASP A 33 -0.124 6.703 20.013 1.00 0.00 C ATOM 479 CG ASP A 33 0.965 5.914 19.292 1.00 0.00 C ATOM 480 OD1 ASP A 33 1.928 5.512 19.979 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.818 5.741 18.063 1.00 0.00 O ATOM 0 H ASP A 33 -1.045 9.603 20.408 1.00 0.00 H new ATOM 0 HA ASP A 33 1.111 7.906 21.285 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.482 6.129 20.868 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.973 6.843 19.344 1.00 0.00 H new ATOM 486 N ASP A 34 0.579 8.784 18.163 1.00 0.00 N ATOM 487 CA ASP A 34 1.267 9.283 16.980 1.00 0.00 C ATOM 488 C ASP A 34 1.386 10.807 17.016 1.00 0.00 C ATOM 489 O ASP A 34 2.489 11.347 17.078 1.00 0.00 O ATOM 490 CB ASP A 34 0.535 8.778 15.731 1.00 0.00 C ATOM 491 CG ASP A 34 1.089 9.406 14.460 1.00 0.00 C ATOM 492 OD1 ASP A 34 2.052 8.826 13.916 1.00 0.00 O ATOM 493 OD2 ASP A 34 0.519 10.439 14.045 1.00 0.00 O ATOM 0 H ASP A 34 -0.340 8.386 17.967 1.00 0.00 H new ATOM 0 HA ASP A 34 2.288 8.903 16.955 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.625 7.693 15.670 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.528 9.005 15.816 1.00 0.00 H new ATOM 498 N GLU A 35 0.242 11.494 16.970 1.00 0.00 N ATOM 499 CA GLU A 35 0.102 12.943 17.013 1.00 0.00 C ATOM 500 C GLU A 35 0.671 13.620 15.757 1.00 0.00 C ATOM 501 O GLU A 35 -0.080 14.207 14.980 1.00 0.00 O ATOM 502 CB GLU A 35 0.647 13.525 18.330 1.00 0.00 C ATOM 503 CG GLU A 35 0.231 12.712 19.570 1.00 0.00 C ATOM 504 CD GLU A 35 -1.251 12.346 19.588 1.00 0.00 C ATOM 505 OE1 GLU A 35 -2.069 13.291 19.579 1.00 0.00 O ATOM 506 OE2 GLU A 35 -1.541 11.129 19.605 1.00 0.00 O ATOM 0 H GLU A 35 -0.660 11.023 16.898 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.964 13.172 17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.735 13.566 18.279 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.294 14.550 18.440 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.824 11.798 19.611 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.467 13.285 20.467 1.00 0.00 H new ATOM 513 N GLU A 36 1.985 13.536 15.549 1.00 0.00 N ATOM 514 CA GLU A 36 2.658 13.974 14.335 1.00 0.00 C ATOM 515 C GLU A 36 2.843 12.738 13.447 1.00 0.00 C ATOM 516 O GLU A 36 3.539 11.820 13.866 1.00 0.00 O ATOM 517 CB GLU A 36 4.017 14.585 14.698 1.00 0.00 C ATOM 518 CG GLU A 36 3.858 15.829 15.582 1.00 0.00 C ATOM 519 CD GLU A 36 5.212 16.471 15.870 1.00 0.00 C ATOM 520 OE1 GLU A 36 5.647 17.279 15.022 1.00 0.00 O ATOM 521 OE2 GLU A 36 5.789 16.131 16.925 1.00 0.00 O ATOM 0 H GLU A 36 2.625 13.150 16.243 1.00 0.00 H new ATOM 0 HA GLU A 36 2.076 14.731 13.810 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.623 13.843 15.218 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.552 14.851 13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.207 16.550 15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.375 15.554 16.520 1.00 0.00 H new ATOM 528 N PRO A 37 2.227 12.655 12.262 1.00 0.00 N ATOM 529 CA PRO A 37 2.246 11.435 11.469 1.00 0.00 C ATOM 530 C PRO A 37 3.526 11.275 10.641 1.00 0.00 C ATOM 531 O PRO A 37 4.387 12.153 10.605 1.00 0.00 O ATOM 532 CB PRO A 37 0.981 11.517 10.620 1.00 0.00 C ATOM 533 CG PRO A 37 0.827 13.020 10.382 1.00 0.00 C ATOM 534 CD PRO A 37 1.303 13.625 11.701 1.00 0.00 C ATOM 0 HA PRO A 37 2.254 10.542 12.094 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.086 10.968 9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.118 11.100 11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.431 13.360 9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.206 13.291 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.793 14.585 11.538 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.466 13.805 12.375 1.00 0.00 H new ATOM 542 N ASN A 38 3.651 10.115 9.985 1.00 0.00 N ATOM 543 CA ASN A 38 4.778 9.695 9.147 1.00 0.00 C ATOM 544 C ASN A 38 6.063 9.457 9.942 1.00 0.00 C ATOM 545 O ASN A 38 6.588 8.349 9.930 1.00 0.00 O ATOM 546 CB ASN A 38 5.004 10.618 7.934 1.00 0.00 C ATOM 547 CG ASN A 38 5.107 9.825 6.626 1.00 0.00 C ATOM 548 OD1 ASN A 38 4.233 9.019 6.317 1.00 0.00 O ATOM 549 ND2 ASN A 38 6.139 10.057 5.823 1.00 0.00 N ATOM 0 H ASN A 38 2.923 9.402 10.029 1.00 0.00 H new ATOM 0 HA ASN A 38 4.488 8.725 8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.183 11.332 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.917 11.195 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.215 9.563 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.856 10.730 6.095 1.00 0.00 H new ATOM 556 N VAL A 39 6.576 10.479 10.630 1.00 0.00 N ATOM 557 CA VAL A 39 7.869 10.418 11.302 1.00 0.00 C ATOM 558 C VAL A 39 7.890 9.337 12.400 1.00 0.00 C ATOM 559 O VAL A 39 8.525 8.302 12.195 1.00 0.00 O ATOM 560 CB VAL A 39 8.325 11.824 11.740 1.00 0.00 C ATOM 561 CG1 VAL A 39 9.650 11.769 12.512 1.00 0.00 C ATOM 562 CG2 VAL A 39 8.511 12.727 10.511 1.00 0.00 C ATOM 0 H VAL A 39 6.101 11.376 10.735 1.00 0.00 H new ATOM 0 HA VAL A 39 8.630 10.085 10.596 1.00 0.00 H new ATOM 0 HB VAL A 39 7.551 12.229 12.393 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.942 12.777 12.806 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.527 11.153 13.403 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.424 11.338 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.833 13.717 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.266 12.296 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.566 12.809 9.974 1.00 0.00 H new ATOM 572 N PRO A 40 7.198 9.496 13.543 1.00 0.00 N ATOM 573 CA PRO A 40 7.144 8.454 14.566 1.00 0.00 C ATOM 574 C PRO A 40 6.463 7.192 14.031 1.00 0.00 C ATOM 575 O PRO A 40 6.734 6.094 14.505 1.00 0.00 O ATOM 576 CB PRO A 40 6.355 9.057 15.731 1.00 0.00 C ATOM 577 CG PRO A 40 5.439 10.056 15.034 1.00 0.00 C ATOM 578 CD PRO A 40 6.324 10.597 13.909 1.00 0.00 C ATOM 0 HA PRO A 40 8.143 8.148 14.878 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.790 8.299 16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.009 9.544 16.454 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.539 9.578 14.647 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.114 10.847 15.710 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.724 10.922 13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.899 11.461 14.242 1.00 0.00 H new ATOM 586 N CYS A 41 5.589 7.347 13.031 1.00 0.00 N ATOM 587 CA CYS A 41 4.942 6.243 12.340 1.00 0.00 C ATOM 588 C CYS A 41 5.942 5.382 11.553 1.00 0.00 C ATOM 589 O CYS A 41 5.613 4.263 11.161 1.00 0.00 O ATOM 590 CB CYS A 41 3.861 6.811 11.421 1.00 0.00 C ATOM 591 SG CYS A 41 2.701 5.604 10.761 1.00 0.00 S ATOM 0 H CYS A 41 5.311 8.263 12.678 1.00 0.00 H new ATOM 0 HA CYS A 41 4.492 5.582 13.080 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.300 7.567 11.971 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.346 7.318 10.587 1.00 0.00 H new ATOM 596 N LEU A 42 7.157 5.892 11.312 1.00 0.00 N ATOM 597 CA LEU A 42 8.282 5.217 10.674 1.00 0.00 C ATOM 598 C LEU A 42 8.090 5.059 9.167 1.00 0.00 C ATOM 599 O LEU A 42 8.961 5.452 8.394 1.00 0.00 O ATOM 600 CB LEU A 42 8.624 3.864 11.327 1.00 0.00 C ATOM 601 CG LEU A 42 8.766 3.894 12.859 1.00 0.00 C ATOM 602 CD1 LEU A 42 9.178 2.503 13.352 1.00 0.00 C ATOM 603 CD2 LEU A 42 9.798 4.926 13.329 1.00 0.00 C ATOM 0 H LEU A 42 7.390 6.849 11.577 1.00 0.00 H new ATOM 0 HA LEU A 42 9.137 5.874 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.848 3.145 11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.557 3.497 10.899 1.00 0.00 H new ATOM 0 HG LEU A 42 7.801 4.183 13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.280 2.517 14.437 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.417 1.776 13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.131 2.225 12.901 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.861 4.908 14.417 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.773 4.685 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.495 5.920 12.999 1.00 0.00 H new ATOM 615 N VAL A 43 6.996 4.415 8.749 1.00 0.00 N ATOM 616 CA VAL A 43 6.721 3.976 7.381 1.00 0.00 C ATOM 617 C VAL A 43 7.649 2.823 6.980 1.00 0.00 C ATOM 618 O VAL A 43 7.180 1.780 6.529 1.00 0.00 O ATOM 619 CB VAL A 43 6.774 5.127 6.355 1.00 0.00 C ATOM 620 CG1 VAL A 43 6.195 4.674 5.011 1.00 0.00 C ATOM 621 CG2 VAL A 43 5.996 6.363 6.819 1.00 0.00 C ATOM 0 H VAL A 43 6.240 4.174 9.390 1.00 0.00 H new ATOM 0 HA VAL A 43 5.694 3.611 7.370 1.00 0.00 H new ATOM 0 HB VAL A 43 7.825 5.396 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.240 5.498 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.775 3.833 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.158 4.368 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.066 7.143 6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.950 6.098 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.418 6.729 7.755 1.00 0.00 H new ATOM 631 N ARG A 44 8.966 3.019 7.095 1.00 0.00 N ATOM 632 CA ARG A 44 10.013 2.098 6.670 1.00 0.00 C ATOM 633 C ARG A 44 10.130 2.137 5.145 1.00 0.00 C ATOM 634 O ARG A 44 11.189 2.473 4.609 1.00 0.00 O ATOM 635 CB ARG A 44 9.796 0.681 7.233 1.00 0.00 C ATOM 636 CG ARG A 44 11.113 -0.045 7.546 1.00 0.00 C ATOM 637 CD ARG A 44 12.019 -0.254 6.327 1.00 0.00 C ATOM 638 NE ARG A 44 11.366 -1.081 5.300 1.00 0.00 N ATOM 639 CZ ARG A 44 11.536 -0.971 3.973 1.00 0.00 C ATOM 640 NH1 ARG A 44 12.036 0.140 3.422 1.00 0.00 N ATOM 641 NH2 ARG A 44 11.192 -1.998 3.190 1.00 0.00 N ATOM 0 H ARG A 44 9.345 3.870 7.509 1.00 0.00 H new ATOM 0 HA ARG A 44 10.969 2.419 7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.197 0.744 8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.225 0.093 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.659 0.525 8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.884 -1.016 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.285 0.713 5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.948 -0.730 6.641 1.00 0.00 H new ATOM 0 HE ARG A 44 10.725 -1.804 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.298 0.929 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.155 0.199 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.807 -2.848 3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.314 -1.932 2.179 1.00 0.00 H new ATOM 655 N VAL A 45 9.032 1.868 4.435 1.00 0.00 N ATOM 656 CA VAL A 45 8.935 1.991 2.984 1.00 0.00 C ATOM 657 C VAL A 45 8.861 3.466 2.559 1.00 0.00 C ATOM 658 O VAL A 45 7.990 3.852 1.785 1.00 0.00 O ATOM 659 CB VAL A 45 7.750 1.150 2.461 1.00 0.00 C ATOM 660 CG1 VAL A 45 7.998 -0.338 2.730 1.00 0.00 C ATOM 661 CG2 VAL A 45 6.387 1.544 3.054 1.00 0.00 C ATOM 0 H VAL A 45 8.165 1.550 4.868 1.00 0.00 H new ATOM 0 HA VAL A 45 9.840 1.591 2.526 1.00 0.00 H new ATOM 0 HB VAL A 45 7.699 1.352 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.156 -0.921 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.910 -0.652 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.105 -0.501 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.609 0.905 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.412 1.422 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.172 2.585 2.811 1.00 0.00 H new ATOM 671 N CYS A 46 9.786 4.302 3.042 1.00 0.00 N ATOM 672 CA CYS A 46 9.827 5.743 2.791 1.00 0.00 C ATOM 673 C CYS A 46 10.347 6.020 1.378 1.00 0.00 C ATOM 674 O CYS A 46 11.370 6.675 1.194 1.00 0.00 O ATOM 675 CB CYS A 46 10.717 6.404 3.849 1.00 0.00 C ATOM 676 SG CYS A 46 10.896 8.211 3.809 1.00 0.00 S ATOM 0 H CYS A 46 10.550 3.982 3.637 1.00 0.00 H new ATOM 0 HA CYS A 46 8.823 6.162 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.329 6.129 4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.713 5.968 3.766 1.00 0.00 H new ATOM 681 N HIS A 47 9.647 5.505 0.367 1.00 0.00 N ATOM 682 CA HIS A 47 9.882 5.848 -1.024 1.00 0.00 C ATOM 683 C HIS A 47 8.856 6.913 -1.384 1.00 0.00 C ATOM 684 O HIS A 47 7.691 6.784 -1.026 1.00 0.00 O ATOM 685 CB HIS A 47 9.759 4.610 -1.924 1.00 0.00 C ATOM 686 CG HIS A 47 8.349 4.105 -2.119 1.00 0.00 C ATOM 687 ND1 HIS A 47 7.419 4.634 -2.985 1.00 0.00 N ATOM 688 CD2 HIS A 47 7.747 3.077 -1.443 1.00 0.00 C ATOM 689 CE1 HIS A 47 6.285 3.931 -2.835 1.00 0.00 C ATOM 690 NE2 HIS A 47 6.432 2.970 -1.909 1.00 0.00 N ATOM 0 H HIS A 47 8.893 4.831 0.499 1.00 0.00 H new ATOM 0 HA HIS A 47 10.893 6.226 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.184 4.844 -2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.361 3.808 -1.498 1.00 0.00 H new ATOM 0 HD1 HIS A 47 7.565 5.416 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.206 2.459 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.375 4.114 -3.386 1.00 0.00 H new ATOM 698 N GLN A 48 9.274 7.967 -2.068 1.00 0.00 N ATOM 699 CA GLN A 48 8.372 8.951 -2.646 1.00 0.00 C ATOM 700 C GLN A 48 7.226 8.294 -3.432 1.00 0.00 C ATOM 701 O GLN A 48 7.432 7.248 -4.055 1.00 0.00 O ATOM 702 CB GLN A 48 9.171 9.917 -3.532 1.00 0.00 C ATOM 703 CG GLN A 48 9.739 9.306 -4.827 1.00 0.00 C ATOM 704 CD GLN A 48 10.838 8.268 -4.604 1.00 0.00 C ATOM 705 OE1 GLN A 48 11.535 8.286 -3.593 1.00 0.00 O ATOM 706 NE2 GLN A 48 11.001 7.337 -5.538 1.00 0.00 N ATOM 0 H GLN A 48 10.260 8.165 -2.239 1.00 0.00 H new ATOM 0 HA GLN A 48 7.907 9.509 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.528 10.756 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.998 10.321 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.925 8.842 -5.383 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.134 10.108 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.411 7.341 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.716 6.619 -5.423 1.00 0.00 H new ATOM 715 N ASP A 49 6.040 8.912 -3.428 1.00 0.00 N ATOM 716 CA ASP A 49 4.874 8.437 -4.168 1.00 0.00 C ATOM 717 C ASP A 49 3.810 9.540 -4.210 1.00 0.00 C ATOM 718 O ASP A 49 4.169 10.714 -4.269 1.00 0.00 O ATOM 719 CB ASP A 49 4.343 7.142 -3.543 1.00 0.00 C ATOM 720 CG ASP A 49 3.544 6.314 -4.543 1.00 0.00 C ATOM 721 OD1 ASP A 49 4.190 5.619 -5.356 1.00 0.00 O ATOM 722 OD2 ASP A 49 2.299 6.403 -4.483 1.00 0.00 O ATOM 0 H ASP A 49 5.864 9.768 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 49 5.154 8.205 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.178 6.551 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.713 7.384 -2.687 1.00 0.00 H new ATOM 727 N CYS A 50 2.518 9.183 -4.168 1.00 0.00 N ATOM 728 CA CYS A 50 1.384 10.096 -4.188 1.00 0.00 C ATOM 729 C CYS A 50 0.419 9.693 -3.078 1.00 0.00 C ATOM 730 O CYS A 50 0.221 8.499 -2.855 1.00 0.00 O ATOM 731 CB CYS A 50 0.701 10.019 -5.554 1.00 0.00 C ATOM 732 SG CYS A 50 -0.417 11.381 -5.942 1.00 0.00 S ATOM 0 H CYS A 50 2.231 8.206 -4.117 1.00 0.00 H new ATOM 0 HA CYS A 50 1.712 11.122 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.471 9.974 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.141 9.086 -5.609 1.00 0.00 H new ATOM 737 N VAL A 51 -0.151 10.668 -2.370 1.00 0.00 N ATOM 738 CA VAL A 51 -1.042 10.446 -1.236 1.00 0.00 C ATOM 739 C VAL A 51 -2.064 11.583 -1.219 1.00 0.00 C ATOM 740 O VAL A 51 -1.819 12.602 -1.861 1.00 0.00 O ATOM 741 CB VAL A 51 -0.209 10.361 0.057 1.00 0.00 C ATOM 742 CG1 VAL A 51 0.505 11.684 0.371 1.00 0.00 C ATOM 743 CG2 VAL A 51 -1.067 9.923 1.251 1.00 0.00 C ATOM 0 H VAL A 51 -0.001 11.656 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.583 9.504 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 51 0.554 9.602 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.080 11.578 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.176 11.939 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.234 12.476 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.447 9.874 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.870 10.643 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.494 8.940 1.051 1.00 0.00 H new ATOM 753 N CYS A 52 -3.207 11.407 -0.542 1.00 0.00 N ATOM 754 CA CYS A 52 -4.282 12.399 -0.443 1.00 0.00 C ATOM 755 C CYS A 52 -3.748 13.829 -0.371 1.00 0.00 C ATOM 756 O CYS A 52 -2.803 14.090 0.370 1.00 0.00 O ATOM 757 CB CYS A 52 -5.174 12.128 0.771 1.00 0.00 C ATOM 758 SG CYS A 52 -6.059 10.555 0.781 1.00 0.00 S ATOM 0 H CYS A 52 -3.413 10.546 -0.035 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.872 12.302 -1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.556 12.178 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.906 12.932 0.844 1.00 0.00 H new ATOM 763 N GLU A 53 -4.337 14.742 -1.154 1.00 0.00 N ATOM 764 CA GLU A 53 -3.887 16.131 -1.211 1.00 0.00 C ATOM 765 C GLU A 53 -3.758 16.733 0.193 1.00 0.00 C ATOM 766 O GLU A 53 -4.503 16.378 1.101 1.00 0.00 O ATOM 767 CB GLU A 53 -4.856 16.979 -2.043 1.00 0.00 C ATOM 768 CG GLU A 53 -4.763 16.703 -3.548 1.00 0.00 C ATOM 769 CD GLU A 53 -5.682 17.612 -4.363 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.644 18.146 -3.765 1.00 0.00 O ATOM 771 OE2 GLU A 53 -5.404 17.757 -5.572 1.00 0.00 O ATOM 0 H GLU A 53 -5.132 14.537 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.905 16.136 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.875 16.788 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.653 18.034 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.733 16.842 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.022 15.662 -3.741 1.00 0.00 H new ATOM 778 N GLU A 54 -2.835 17.680 0.363 1.00 0.00 N ATOM 779 CA GLU A 54 -2.651 18.387 1.622 1.00 0.00 C ATOM 780 C GLU A 54 -3.984 18.996 2.078 1.00 0.00 C ATOM 781 O GLU A 54 -4.618 19.722 1.317 1.00 0.00 O ATOM 782 CB GLU A 54 -1.563 19.455 1.445 1.00 0.00 C ATOM 783 CG GLU A 54 -0.200 18.812 1.138 1.00 0.00 C ATOM 784 CD GLU A 54 0.856 19.859 0.802 1.00 0.00 C ATOM 785 OE1 GLU A 54 1.093 20.726 1.669 1.00 0.00 O ATOM 786 OE2 GLU A 54 1.403 19.773 -0.320 1.00 0.00 O ATOM 0 H GLU A 54 -2.194 17.976 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.325 17.696 2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.840 20.130 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.489 20.057 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.128 18.227 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.304 18.120 0.303 1.00 0.00 H new ATOM 793 N GLY A 55 -4.423 18.659 3.297 1.00 0.00 N ATOM 794 CA GLY A 55 -5.720 19.058 3.839 1.00 0.00 C ATOM 795 C GLY A 55 -6.735 17.912 3.805 1.00 0.00 C ATOM 796 O GLY A 55 -7.702 17.924 4.568 1.00 0.00 O ATOM 0 H GLY A 55 -3.874 18.091 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.594 19.400 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.107 19.902 3.268 1.00 0.00 H new ATOM 800 N PHE A 56 -6.509 16.921 2.940 1.00 0.00 N ATOM 801 CA PHE A 56 -7.300 15.711 2.802 1.00 0.00 C ATOM 802 C PHE A 56 -6.512 14.569 3.452 1.00 0.00 C ATOM 803 O PHE A 56 -5.285 14.626 3.516 1.00 0.00 O ATOM 804 CB PHE A 56 -7.569 15.422 1.316 1.00 0.00 C ATOM 805 CG PHE A 56 -8.245 16.534 0.524 1.00 0.00 C ATOM 806 CD1 PHE A 56 -7.527 17.689 0.154 1.00 0.00 C ATOM 807 CD2 PHE A 56 -9.539 16.338 0.005 1.00 0.00 C ATOM 808 CE1 PHE A 56 -8.083 18.618 -0.742 1.00 0.00 C ATOM 809 CE2 PHE A 56 -10.095 17.265 -0.894 1.00 0.00 C ATOM 810 CZ PHE A 56 -9.363 18.400 -1.276 1.00 0.00 C ATOM 0 H PHE A 56 -5.727 16.949 2.286 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.268 15.821 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.619 15.188 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.189 14.528 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.542 17.861 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.109 15.469 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.525 19.500 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.086 17.104 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.783 19.104 -1.979 1.00 0.00 H new ATOM 820 N TYR A 57 -7.206 13.548 3.957 1.00 0.00 N ATOM 821 CA TYR A 57 -6.613 12.475 4.745 1.00 0.00 C ATOM 822 C TYR A 57 -7.081 11.130 4.200 1.00 0.00 C ATOM 823 O TYR A 57 -8.256 10.989 3.868 1.00 0.00 O ATOM 824 CB TYR A 57 -7.012 12.657 6.216 1.00 0.00 C ATOM 825 CG TYR A 57 -6.413 13.903 6.842 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.044 15.151 6.678 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.145 13.839 7.449 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.401 16.326 7.102 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.511 15.013 7.887 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.135 16.256 7.706 1.00 0.00 C ATOM 831 OH TYR A 57 -4.509 17.394 8.118 1.00 0.00 O ATOM 0 H TYR A 57 -8.212 13.445 3.826 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.526 12.505 4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.098 12.707 6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.694 11.783 6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.023 15.205 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.658 12.884 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.881 17.284 6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.543 14.959 8.363 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.643 17.165 8.515 1.00 0.00 H new ATOM 841 N ARG A 58 -6.188 10.137 4.115 1.00 0.00 N ATOM 842 CA ARG A 58 -6.547 8.781 3.715 1.00 0.00 C ATOM 843 C ARG A 58 -7.295 8.092 4.853 1.00 0.00 C ATOM 844 O ARG A 58 -6.793 7.159 5.478 1.00 0.00 O ATOM 845 CB ARG A 58 -5.354 7.974 3.151 1.00 0.00 C ATOM 846 CG ARG A 58 -4.047 7.877 3.958 1.00 0.00 C ATOM 847 CD ARG A 58 -3.837 6.566 4.730 1.00 0.00 C ATOM 848 NE ARG A 58 -3.981 5.378 3.872 1.00 0.00 N ATOM 849 CZ ARG A 58 -4.967 4.468 3.932 1.00 0.00 C ATOM 850 NH1 ARG A 58 -6.029 4.650 4.726 1.00 0.00 N ATOM 851 NH2 ARG A 58 -4.883 3.368 3.175 1.00 0.00 N ATOM 0 H ARG A 58 -5.197 10.256 4.323 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.229 8.837 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.704 6.957 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.105 8.398 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.209 8.013 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.017 8.704 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.844 6.568 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.556 6.510 5.547 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.262 5.232 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.099 5.491 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.768 3.948 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.078 3.230 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.624 2.668 3.209 1.00 0.00 H new ATOM 865 N ASN A 59 -8.519 8.547 5.125 1.00 0.00 N ATOM 866 CA ASN A 59 -9.373 7.857 6.075 1.00 0.00 C ATOM 867 C ASN A 59 -9.750 6.487 5.502 1.00 0.00 C ATOM 868 O ASN A 59 -9.789 6.312 4.282 1.00 0.00 O ATOM 869 CB ASN A 59 -10.595 8.710 6.443 1.00 0.00 C ATOM 870 CG ASN A 59 -11.405 8.074 7.572 1.00 0.00 C ATOM 871 OD1 ASN A 59 -10.900 7.235 8.315 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.671 8.446 7.710 1.00 0.00 N ATOM 0 H ASN A 59 -8.931 9.380 4.704 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.835 7.695 7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.268 9.705 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.229 8.836 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.246 8.034 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.069 9.144 7.082 1.00 0.00 H new ATOM 879 N LYS A 60 -9.986 5.522 6.393 1.00 0.00 N ATOM 880 CA LYS A 60 -10.238 4.115 6.113 1.00 0.00 C ATOM 881 C LYS A 60 -9.236 3.550 5.095 1.00 0.00 C ATOM 882 O LYS A 60 -8.173 3.059 5.474 1.00 0.00 O ATOM 883 CB LYS A 60 -11.713 3.892 5.722 1.00 0.00 C ATOM 884 CG LYS A 60 -12.724 4.534 6.686 1.00 0.00 C ATOM 885 CD LYS A 60 -12.557 4.146 8.163 1.00 0.00 C ATOM 886 CE LYS A 60 -12.697 2.637 8.391 1.00 0.00 C ATOM 887 NZ LYS A 60 -12.641 2.307 9.826 1.00 0.00 N ATOM 0 H LYS A 60 -10.007 5.720 7.393 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.073 3.543 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.877 4.293 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.906 2.820 5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.645 5.618 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.730 4.261 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.578 4.474 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.302 4.671 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.641 2.289 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.901 2.111 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.738 1.279 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.730 2.618 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.416 2.791 10.324 1.00 0.00 H new ATOM 901 N ASP A 61 -9.555 3.642 3.804 1.00 0.00 N ATOM 902 CA ASP A 61 -8.683 3.269 2.705 1.00 0.00 C ATOM 903 C ASP A 61 -8.784 4.351 1.637 1.00 0.00 C ATOM 904 O ASP A 61 -9.746 4.358 0.873 1.00 0.00 O ATOM 905 CB ASP A 61 -9.089 1.903 2.145 1.00 0.00 C ATOM 906 CG ASP A 61 -8.188 1.498 0.981 1.00 0.00 C ATOM 907 OD1 ASP A 61 -6.966 1.741 1.097 1.00 0.00 O ATOM 908 OD2 ASP A 61 -8.736 0.948 0.001 1.00 0.00 O ATOM 0 H ASP A 61 -10.461 3.991 3.490 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.652 3.186 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.031 1.152 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.126 1.936 1.812 1.00 0.00 H new ATOM 913 N ASP A 62 -7.806 5.261 1.612 1.00 0.00 N ATOM 914 CA ASP A 62 -7.734 6.405 0.706 1.00 0.00 C ATOM 915 C ASP A 62 -9.075 7.116 0.510 1.00 0.00 C ATOM 916 O ASP A 62 -9.338 7.652 -0.566 1.00 0.00 O ATOM 917 CB ASP A 62 -7.128 5.976 -0.640 1.00 0.00 C ATOM 918 CG ASP A 62 -5.677 5.518 -0.555 1.00 0.00 C ATOM 919 OD1 ASP A 62 -5.098 5.592 0.552 1.00 0.00 O ATOM 920 OD2 ASP A 62 -5.163 5.106 -1.617 1.00 0.00 O ATOM 0 H ASP A 62 -7.011 5.217 2.250 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.081 7.139 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.729 5.167 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.193 6.811 -1.338 1.00 0.00 H new ATOM 925 N LYS A 63 -9.899 7.218 1.558 1.00 0.00 N ATOM 926 CA LYS A 63 -11.079 8.064 1.494 1.00 0.00 C ATOM 927 C LYS A 63 -10.601 9.503 1.667 1.00 0.00 C ATOM 928 O LYS A 63 -10.703 10.067 2.754 1.00 0.00 O ATOM 929 CB LYS A 63 -12.128 7.644 2.536 1.00 0.00 C ATOM 930 CG LYS A 63 -12.518 6.162 2.435 1.00 0.00 C ATOM 931 CD LYS A 63 -13.057 5.784 1.049 1.00 0.00 C ATOM 932 CE LYS A 63 -13.538 4.329 1.001 1.00 0.00 C ATOM 933 NZ LYS A 63 -12.455 3.387 1.331 1.00 0.00 N ATOM 0 H LYS A 63 -9.768 6.731 2.444 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.587 7.963 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.740 7.844 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.020 8.258 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.648 5.545 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.274 5.937 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.881 6.448 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.277 5.933 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.363 4.195 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.924 4.106 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.555 2.527 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.536 3.832 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.508 3.136 2.339 1.00 0.00 H new ATOM 947 N CYS A 64 -10.020 10.062 0.601 1.00 0.00 N ATOM 948 CA CYS A 64 -9.385 11.373 0.600 1.00 0.00 C ATOM 949 C CYS A 64 -10.424 12.480 0.782 1.00 0.00 C ATOM 950 O CYS A 64 -10.778 13.166 -0.173 1.00 0.00 O ATOM 951 CB CYS A 64 -8.562 11.605 -0.678 1.00 0.00 C ATOM 952 SG CYS A 64 -7.166 10.495 -0.979 1.00 0.00 S ATOM 0 H CYS A 64 -9.980 9.598 -0.307 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.696 11.403 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.237 11.537 -1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.182 12.626 -0.653 1.00 0.00 H new ATOM 957 N VAL A 65 -10.882 12.666 2.019 1.00 0.00 N ATOM 958 CA VAL A 65 -11.706 13.783 2.461 1.00 0.00 C ATOM 959 C VAL A 65 -11.006 14.459 3.643 1.00 0.00 C ATOM 960 O VAL A 65 -9.969 13.984 4.110 1.00 0.00 O ATOM 961 CB VAL A 65 -13.139 13.319 2.778 1.00 0.00 C ATOM 962 CG1 VAL A 65 -13.910 13.043 1.482 1.00 0.00 C ATOM 963 CG2 VAL A 65 -13.181 12.065 3.656 1.00 0.00 C ATOM 0 H VAL A 65 -10.678 12.010 2.773 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.814 14.521 1.666 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.606 14.132 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -14.921 12.716 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.956 13.954 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.402 12.263 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.218 11.787 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.673 11.246 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.681 12.267 4.603 1.00 0.00 H new ATOM 973 N SER A 66 -11.518 15.607 4.087 1.00 0.00 N ATOM 974 CA SER A 66 -10.851 16.450 5.062 1.00 0.00 C ATOM 975 C SER A 66 -10.918 15.864 6.475 1.00 0.00 C ATOM 976 O SER A 66 -11.721 14.973 6.761 1.00 0.00 O ATOM 977 CB SER A 66 -11.478 17.844 4.983 1.00 0.00 C ATOM 978 OG SER A 66 -12.886 17.721 4.866 1.00 0.00 O ATOM 0 H SER A 66 -12.416 15.976 3.773 1.00 0.00 H new ATOM 0 HA SER A 66 -9.788 16.511 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.225 18.420 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.077 18.387 4.127 1.00 0.00 H new ATOM 0 HG SER A 66 -13.289 18.613 4.817 1.00 0.00 H new ATOM 984 N ALA A 67 -10.072 16.401 7.364 1.00 0.00 N ATOM 985 CA ALA A 67 -9.975 15.998 8.763 1.00 0.00 C ATOM 986 C ALA A 67 -11.359 15.881 9.399 1.00 0.00 C ATOM 987 O ALA A 67 -11.624 14.940 10.135 1.00 0.00 O ATOM 988 CB ALA A 67 -9.113 16.997 9.541 1.00 0.00 C ATOM 0 H ALA A 67 -9.421 17.147 7.118 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.503 15.016 8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.048 16.686 10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.113 17.029 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.564 17.988 9.485 1.00 0.00 H new ATOM 994 N GLU A 68 -12.245 16.821 9.073 1.00 0.00 N ATOM 995 CA GLU A 68 -13.643 16.855 9.481 1.00 0.00 C ATOM 996 C GLU A 68 -14.310 15.474 9.422 1.00 0.00 C ATOM 997 O GLU A 68 -15.017 15.085 10.351 1.00 0.00 O ATOM 998 CB GLU A 68 -14.407 17.865 8.608 1.00 0.00 C ATOM 999 CG GLU A 68 -13.651 19.186 8.375 1.00 0.00 C ATOM 1000 CD GLU A 68 -13.080 19.772 9.665 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -13.895 20.239 10.489 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -11.838 19.724 9.798 1.00 0.00 O ATOM 0 H GLU A 68 -11.992 17.617 8.488 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.676 17.169 10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.623 17.406 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.366 18.084 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.840 19.016 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.325 19.911 7.919 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.092 14.729 8.333 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.655 13.393 8.187 1.00 0.00 C ATOM 1011 C ASP A 69 -14.008 12.442 9.191 1.00 0.00 C ATOM 1012 O ASP A 69 -14.690 11.790 9.972 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.442 12.890 6.758 1.00 0.00 C ATOM 1014 CG ASP A 69 -14.884 11.436 6.619 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -16.112 11.213 6.609 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -13.981 10.573 6.527 1.00 0.00 O ATOM 0 H ASP A 69 -13.527 15.035 7.541 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.726 13.432 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.004 13.513 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.390 12.981 6.490 1.00 0.00 H new ATOM 1021 N CYS A 70 -12.680 12.359 9.166 1.00 0.00 N ATOM 1022 CA CYS A 70 -11.908 11.508 10.065 1.00 0.00 C ATOM 1023 C CYS A 70 -12.325 11.716 11.534 1.00 0.00 C ATOM 1024 O CYS A 70 -12.637 10.763 12.249 1.00 0.00 O ATOM 1025 CB CYS A 70 -10.427 11.808 9.831 1.00 0.00 C ATOM 1026 SG CYS A 70 -9.343 11.263 11.152 1.00 0.00 S ATOM 0 H CYS A 70 -12.103 12.888 8.512 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.102 10.456 9.853 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.115 11.332 8.902 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.303 12.883 9.696 1.00 0.00 H new ATOM 1031 N GLU A 71 -12.399 12.981 11.956 1.00 0.00 N ATOM 1032 CA GLU A 71 -12.842 13.431 13.270 1.00 0.00 C ATOM 1033 C GLU A 71 -14.168 12.803 13.705 1.00 0.00 C ATOM 1034 O GLU A 71 -14.364 12.571 14.902 1.00 0.00 O ATOM 1035 CB GLU A 71 -12.962 14.960 13.256 1.00 0.00 C ATOM 1036 CG GLU A 71 -11.587 15.642 13.231 1.00 0.00 C ATOM 1037 CD GLU A 71 -11.671 17.110 12.823 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -12.770 17.689 12.967 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -10.624 17.629 12.381 1.00 0.00 O ATOM 0 H GLU A 71 -12.135 13.760 11.352 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.097 13.108 13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.537 15.271 12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.514 15.289 14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.130 15.568 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.935 15.112 12.537 1.00 0.00 H new ATOM 1046 N LEU A 72 -15.077 12.538 12.755 1.00 0.00 N ATOM 1047 CA LEU A 72 -16.373 11.937 13.009 1.00 0.00 C ATOM 1048 C LEU A 72 -16.237 10.653 13.832 1.00 0.00 C ATOM 1049 O LEU A 72 -17.118 10.340 14.626 1.00 0.00 O ATOM 1050 CB LEU A 72 -17.045 11.711 11.652 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.571 11.666 11.601 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -19.180 10.386 12.182 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -19.233 12.912 12.202 1.00 0.00 C ATOM 0 H LEU A 72 -14.917 12.745 11.769 1.00 0.00 H new ATOM 0 HA LEU A 72 -16.998 12.595 13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.713 12.502 10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.670 10.771 11.247 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.796 11.658 10.535 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -20.266 10.434 12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -18.816 9.524 11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.892 10.289 13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.317 12.817 12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.942 13.010 13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.912 13.796 11.651 1.00 0.00 H new ATOM 1065 N ASP A 73 -15.108 9.941 13.688 1.00 0.00 N ATOM 1066 CA ASP A 73 -14.787 8.780 14.510 1.00 0.00 C ATOM 1067 C ASP A 73 -15.031 9.027 16.007 1.00 0.00 C ATOM 1068 O ASP A 73 -15.519 8.133 16.693 1.00 0.00 O ATOM 1069 CB ASP A 73 -13.333 8.363 14.258 1.00 0.00 C ATOM 1070 CG ASP A 73 -12.963 7.124 15.068 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -12.563 7.304 16.238 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.088 6.018 14.499 1.00 0.00 O ATOM 0 H ASP A 73 -14.394 10.161 12.993 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.459 7.972 14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.189 8.162 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.666 9.184 14.521 1.00 0.00 H new ATOM 1077 N ASN A 74 -14.687 10.221 16.511 1.00 0.00 N ATOM 1078 CA ASN A 74 -14.919 10.598 17.904 1.00 0.00 C ATOM 1079 C ASN A 74 -16.018 11.658 18.007 1.00 0.00 C ATOM 1080 O ASN A 74 -17.004 11.455 18.709 1.00 0.00 O ATOM 1081 CB ASN A 74 -13.619 11.091 18.553 1.00 0.00 C ATOM 1082 CG ASN A 74 -13.853 11.553 19.991 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -14.023 12.743 20.250 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -13.860 10.629 20.943 1.00 0.00 N ATOM 0 H ASN A 74 -14.239 10.952 15.958 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.256 9.714 18.445 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.879 10.291 18.542 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.208 11.913 17.968 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.009 10.899 21.915 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.717 9.648 20.703 1.00 0.00 H new ATOM 1091 N MET A 75 -15.812 12.811 17.359 1.00 0.00 N ATOM 1092 CA MET A 75 -16.687 13.987 17.380 1.00 0.00 C ATOM 1093 C MET A 75 -17.104 14.471 18.784 1.00 0.00 C ATOM 1094 O MET A 75 -17.981 15.326 18.900 1.00 0.00 O ATOM 1095 CB MET A 75 -17.887 13.732 16.453 1.00 0.00 C ATOM 1096 CG MET A 75 -18.662 14.980 15.992 1.00 0.00 C ATOM 1097 SD MET A 75 -17.728 16.400 15.345 1.00 0.00 S ATOM 1098 CE MET A 75 -16.725 15.619 14.061 1.00 0.00 C ATOM 0 H MET A 75 -14.988 12.955 16.776 1.00 0.00 H new ATOM 0 HA MET A 75 -16.104 14.828 17.004 1.00 0.00 H new ATOM 0 HB2 MET A 75 -17.532 13.203 15.569 1.00 0.00 H new ATOM 0 HB3 MET A 75 -18.582 13.066 16.966 1.00 0.00 H new ATOM 0 HG2 MET A 75 -19.364 14.666 15.219 1.00 0.00 H new ATOM 0 HG3 MET A 75 -19.255 15.332 16.837 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.101 16.371 13.579 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.090 14.855 14.510 1.00 0.00 H new ATOM 0 HE3 MET A 75 -17.378 15.159 13.319 1.00 0.00 H new ATOM 1108 N ASP A 76 -16.459 13.996 19.851 1.00 0.00 N ATOM 1109 CA ASP A 76 -16.824 14.303 21.225 1.00 0.00 C ATOM 1110 C ASP A 76 -15.861 15.359 21.759 1.00 0.00 C ATOM 1111 O ASP A 76 -16.235 16.524 21.881 1.00 0.00 O ATOM 1112 CB ASP A 76 -16.840 13.004 22.049 1.00 0.00 C ATOM 1113 CG ASP A 76 -17.392 13.184 23.462 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -17.432 14.338 23.940 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -17.755 12.145 24.056 1.00 0.00 O ATOM 0 H ASP A 76 -15.653 13.375 19.777 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.828 14.721 21.293 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -17.439 12.259 21.526 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.825 12.610 22.111 1.00 0.00 H new ATOM 1120 N PHE A 77 -14.613 14.971 22.036 1.00 0.00 N ATOM 1121 CA PHE A 77 -13.614 15.846 22.644 1.00 0.00 C ATOM 1122 C PHE A 77 -12.637 16.332 21.577 1.00 0.00 C ATOM 1123 O PHE A 77 -12.645 17.510 21.215 1.00 0.00 O ATOM 1124 CB PHE A 77 -12.906 15.161 23.833 1.00 0.00 C ATOM 1125 CG PHE A 77 -13.125 13.665 23.979 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -14.279 13.196 24.637 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -12.169 12.745 23.511 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -14.496 11.816 24.790 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -12.384 11.366 23.673 1.00 0.00 C ATOM 1130 CZ PHE A 77 -13.547 10.899 24.306 1.00 0.00 C ATOM 0 H PHE A 77 -14.267 14.031 21.842 1.00 0.00 H new ATOM 0 HA PHE A 77 -14.114 16.720 23.061 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -11.835 15.342 23.743 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.235 15.646 24.752 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.000 13.900 25.026 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -11.270 13.099 23.027 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -15.391 11.460 25.279 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.651 10.662 23.309 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.712 9.838 24.421 1.00 0.00 H new ATOM 1140 N ILE A 78 -11.801 15.423 21.073 1.00 0.00 N ATOM 1141 CA ILE A 78 -10.815 15.659 20.021 1.00 0.00 C ATOM 1142 C ILE A 78 -9.634 16.538 20.466 1.00 0.00 C ATOM 1143 O ILE A 78 -8.492 16.073 20.458 1.00 0.00 O ATOM 1144 CB ILE A 78 -11.476 16.122 18.705 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -12.584 15.121 18.327 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -10.426 16.219 17.587 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -12.994 15.196 16.857 1.00 0.00 C ATOM 0 H ILE A 78 -11.794 14.458 21.403 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.359 14.692 19.807 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.913 17.111 18.839 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.242 14.110 18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.459 15.306 18.950 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.906 16.546 16.665 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.657 16.938 17.871 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.969 15.242 17.431 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.778 14.464 16.660 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.366 16.196 16.634 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.131 14.981 16.227 1.00 0.00 H new ATOM 1159 N TYR A 79 -9.948 17.789 20.820 1.00 0.00 N ATOM 1160 CA TYR A 79 -9.115 18.958 21.096 1.00 0.00 C ATOM 1161 C TYR A 79 -9.290 19.926 19.924 1.00 0.00 C ATOM 1162 O TYR A 79 -9.364 19.479 18.777 1.00 0.00 O ATOM 1163 CB TYR A 79 -7.609 18.686 21.264 1.00 0.00 C ATOM 1164 CG TYR A 79 -7.132 17.975 22.518 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -7.597 18.371 23.788 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -5.980 17.170 22.428 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -6.926 17.955 24.952 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -5.307 16.757 23.590 1.00 0.00 C ATOM 1169 CZ TYR A 79 -5.765 17.171 24.850 1.00 0.00 C ATOM 1170 OH TYR A 79 -5.093 16.789 25.972 1.00 0.00 O ATOM 0 H TYR A 79 -10.931 18.034 20.934 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.449 19.349 22.057 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.282 18.099 20.406 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.092 19.644 21.210 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.473 18.997 23.868 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.611 16.868 21.459 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.303 18.238 25.924 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.437 16.121 23.513 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.314 16.250 25.719 1.00 0.00 H new ATOM 1180 N PRO A 80 -9.299 21.249 20.162 1.00 0.00 N ATOM 1181 CA PRO A 80 -9.380 22.240 19.101 1.00 0.00 C ATOM 1182 C PRO A 80 -8.018 22.400 18.406 1.00 0.00 C ATOM 1183 O PRO A 80 -7.510 23.512 18.268 1.00 0.00 O ATOM 1184 CB PRO A 80 -9.845 23.520 19.805 1.00 0.00 C ATOM 1185 CG PRO A 80 -9.187 23.397 21.181 1.00 0.00 C ATOM 1186 CD PRO A 80 -9.277 21.896 21.466 1.00 0.00 C ATOM 0 HA PRO A 80 -10.070 21.962 18.304 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.518 24.416 19.277 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.931 23.572 19.878 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.154 23.745 21.168 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.712 23.984 21.935 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.426 21.558 22.057 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.175 21.659 22.036 1.00 0.00 H new ATOM 1194 N GLY A 81 -7.431 21.289 17.955 1.00 0.00 N ATOM 1195 CA GLY A 81 -6.195 21.261 17.191 1.00 0.00 C ATOM 1196 C GLY A 81 -6.536 20.893 15.754 1.00 0.00 C ATOM 1197 O GLY A 81 -6.293 21.664 14.831 1.00 0.00 O ATOM 0 H GLY A 81 -7.819 20.360 18.120 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.702 22.233 17.228 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.501 20.535 17.616 1.00 0.00 H new ATOM 1201 N THR A 82 -7.125 19.710 15.580 1.00 0.00 N ATOM 1202 CA THR A 82 -7.622 19.215 14.310 1.00 0.00 C ATOM 1203 C THR A 82 -9.006 19.814 14.056 1.00 0.00 C ATOM 1204 O THR A 82 -9.207 20.548 13.090 1.00 0.00 O ATOM 1205 CB THR A 82 -7.662 17.690 14.436 1.00 0.00 C ATOM 1206 OG1 THR A 82 -8.223 17.394 15.704 1.00 0.00 O ATOM 1207 CG2 THR A 82 -6.231 17.141 14.373 1.00 0.00 C ATOM 0 H THR A 82 -7.271 19.054 16.347 1.00 0.00 H new ATOM 0 HA THR A 82 -6.994 19.496 13.465 1.00 0.00 H new ATOM 0 HB THR A 82 -8.248 17.243 13.633 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.905 16.518 16.006 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.254 16.055 14.462 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.777 17.417 13.421 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.644 17.560 15.190 1.00 0.00 H new ATOM 1215 N ARG A 83 -9.953 19.537 14.956 1.00 0.00 N ATOM 1216 CA ARG A 83 -11.295 20.108 14.911 1.00 0.00 C ATOM 1217 C ARG A 83 -11.242 21.583 15.326 1.00 0.00 C ATOM 1218 O ARG A 83 -11.698 21.949 16.407 1.00 0.00 O ATOM 1219 CB ARG A 83 -12.246 19.272 15.786 1.00 0.00 C ATOM 1220 CG ARG A 83 -13.707 19.722 15.625 1.00 0.00 C ATOM 1221 CD ARG A 83 -14.700 18.741 16.255 1.00 0.00 C ATOM 1222 NE ARG A 83 -14.433 18.528 17.686 1.00 0.00 N ATOM 1223 CZ ARG A 83 -15.285 17.932 18.534 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -16.436 17.424 18.084 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -14.978 17.842 19.832 1.00 0.00 N ATOM 0 H ARG A 83 -9.805 18.904 15.742 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.688 20.076 13.895 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.157 18.219 15.517 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.951 19.360 16.832 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.833 20.704 16.082 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.934 19.832 14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.714 19.120 16.128 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.649 17.787 15.731 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.541 18.855 18.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.669 17.489 17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.081 16.972 18.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.098 18.226 20.176 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.624 17.389 20.479 1.00 0.00 H new ATOM 1239 N ASN A 84 -10.665 22.430 14.472 1.00 0.00 N ATOM 1240 CA ASN A 84 -10.538 23.866 14.704 1.00 0.00 C ATOM 1241 C ASN A 84 -10.292 24.600 13.377 1.00 0.00 C ATOM 1242 O ASN A 84 -11.216 25.245 12.887 1.00 0.00 O ATOM 1243 CB ASN A 84 -9.514 24.137 15.822 1.00 0.00 C ATOM 1244 CG ASN A 84 -9.112 25.601 15.988 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -9.651 26.499 15.353 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -8.146 25.854 16.864 1.00 0.00 N ATOM 0 H ASN A 84 -10.266 22.129 13.583 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.472 24.283 15.080 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.926 23.780 16.766 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.617 23.550 15.623 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.838 26.814 17.020 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.713 25.089 17.381 1.00 0.00 H new ATOM 1253 N PRO A 85 -9.105 24.508 12.754 1.00 0.00 N ATOM 1254 CA PRO A 85 -8.875 25.112 11.448 1.00 0.00 C ATOM 1255 C PRO A 85 -9.766 24.469 10.379 1.00 0.00 C ATOM 1256 O PRO A 85 -10.112 25.195 9.422 1.00 0.00 O ATOM 1257 CB PRO A 85 -7.388 24.893 11.151 1.00 0.00 C ATOM 1258 CG PRO A 85 -7.066 23.618 11.928 1.00 0.00 C ATOM 1259 CD PRO A 85 -7.930 23.768 13.178 1.00 0.00 C ATOM 1260 OXT PRO A 85 -10.063 23.261 10.519 1.00 0.00 O ATOM 0 HA PRO A 85 -9.126 26.173 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.203 24.773 10.084 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.781 25.734 11.487 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.322 22.722 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.006 23.548 12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.205 22.794 13.583 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.394 24.300 13.964 1.00 0.00 H new TER 1268 PRO A 85