USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 69 THR OG1 : rot 180:sc= -0.575 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.221! USER MOD Single : A 13 GLN : amide:sc= -5.86! C(o=-5.9!,f=-5.9!) USER MOD Single : A 15 ASN :FLIP amide:sc= -9.83! C(o=-14!,f=-9.8!) USER MOD Single : A 19 SER OG : rot -18:sc= 0.492! USER MOD Single : A 20 GLN : amide:sc= -0.882 K(o=-0.88,f=-3.6!) USER MOD Single : A 27 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.3!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.124 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0902 X(o=-0.09,f=-0.096) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.541 (180deg=-1.67!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 8:sc= 0.596 USER MOD Single : A 55 SER OG : rot 92:sc= 0.89 USER MOD Single : A 57 SER OG : rot 180:sc= -0.157 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.1!) USER MOD Single : A 71 MET CE :methyl 168:sc= -5.15! (180deg=-6.16!) USER MOD Single : A 78 ASN : amide:sc= -7.7! C(o=-7.7!,f=-13!) USER MOD Single : A 79 HIS : no HD1:sc= -16.6! C(o=-17!,f=-16!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -2.85! USER MOD Single : A 83 HIS : no HE2:sc= -6.52! C(o=-6.5!,f=-8.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.678 4.117 17.418 1.00 0.00 N ATOM 2 CA ALA A 1 16.253 4.139 16.997 1.00 0.00 C ATOM 3 C ALA A 1 15.697 5.560 17.027 1.00 0.00 C ATOM 4 O ALA A 1 15.234 6.035 18.065 1.00 0.00 O ATOM 5 CB ALA A 1 15.426 3.230 17.894 1.00 0.00 C ATOM 0 H1 ALA A 1 18.033 3.140 17.389 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.240 4.709 16.773 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.760 4.487 18.387 1.00 0.00 H new ATOM 0 HA ALA A 1 16.194 3.773 15.972 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.384 3.255 17.575 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.803 2.210 17.824 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.498 3.574 18.926 1.00 0.00 H new ATOM 13 N PRO A 2 15.736 6.256 15.881 1.00 0.00 N ATOM 14 CA PRO A 2 15.238 7.626 15.764 1.00 0.00 C ATOM 15 C PRO A 2 13.945 7.852 16.539 1.00 0.00 C ATOM 16 O PRO A 2 13.312 6.905 17.004 1.00 0.00 O ATOM 17 CB PRO A 2 15.004 7.760 14.263 1.00 0.00 C ATOM 18 CG PRO A 2 16.077 6.923 13.659 1.00 0.00 C ATOM 19 CD PRO A 2 16.269 5.757 14.598 1.00 0.00 C ATOM 0 HA PRO A 2 15.930 8.359 16.178 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.013 7.405 13.980 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.076 8.798 13.938 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.792 6.581 12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.000 7.492 13.548 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.730 4.873 14.256 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.319 5.477 14.681 1.00 0.00 H new ATOM 27 N ASP A 3 13.561 9.116 16.675 1.00 0.00 N ATOM 28 CA ASP A 3 12.345 9.473 17.395 1.00 0.00 C ATOM 29 C ASP A 3 11.293 10.035 16.444 1.00 0.00 C ATOM 30 O ASP A 3 11.581 10.911 15.628 1.00 0.00 O ATOM 31 CB ASP A 3 12.657 10.496 18.488 1.00 0.00 C ATOM 32 CG ASP A 3 11.584 10.542 19.560 1.00 0.00 C ATOM 33 OD1 ASP A 3 10.463 11.003 19.259 1.00 0.00 O ATOM 34 OD2 ASP A 3 11.867 10.119 20.701 1.00 0.00 O ATOM 0 H ASP A 3 14.075 9.911 16.296 1.00 0.00 H new ATOM 0 HA ASP A 3 11.947 8.568 17.855 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.615 10.253 18.947 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.761 11.484 18.039 1.00 0.00 H new ATOM 39 N VAL A 4 10.074 9.523 16.559 1.00 0.00 N ATOM 40 CA VAL A 4 8.971 9.968 15.716 1.00 0.00 C ATOM 41 C VAL A 4 7.631 9.612 16.353 1.00 0.00 C ATOM 42 O VAL A 4 7.571 9.269 17.534 1.00 0.00 O ATOM 43 CB VAL A 4 9.052 9.340 14.311 1.00 0.00 C ATOM 44 CG1 VAL A 4 10.232 9.909 13.537 1.00 0.00 C ATOM 45 CG2 VAL A 4 9.152 7.827 14.413 1.00 0.00 C ATOM 0 H VAL A 4 9.824 8.797 17.230 1.00 0.00 H new ATOM 0 HA VAL A 4 9.050 11.051 15.620 1.00 0.00 H new ATOM 0 HB VAL A 4 8.140 9.588 13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.272 9.453 12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.114 10.988 13.435 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.156 9.694 14.073 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.208 7.398 13.413 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.047 7.559 14.974 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.272 7.438 14.926 1.00 0.00 H new ATOM 55 N GLN A 5 6.558 9.693 15.569 1.00 0.00 N ATOM 56 CA GLN A 5 5.223 9.375 16.072 1.00 0.00 C ATOM 57 C GLN A 5 4.131 10.000 15.202 1.00 0.00 C ATOM 58 O GLN A 5 2.950 9.963 15.544 1.00 0.00 O ATOM 59 CB GLN A 5 5.090 9.846 17.526 1.00 0.00 C ATOM 60 CG GLN A 5 3.660 10.096 17.976 1.00 0.00 C ATOM 61 CD GLN A 5 3.225 11.533 17.758 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.930 11.942 16.635 1.00 0.00 O ATOM 63 NE2 GLN A 5 3.186 12.308 18.836 1.00 0.00 N ATOM 0 H GLN A 5 6.586 9.974 14.589 1.00 0.00 H new ATOM 0 HA GLN A 5 5.092 8.294 16.032 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.538 9.098 18.180 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.664 10.764 17.652 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.990 9.430 17.432 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.567 9.848 19.033 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.439 11.927 19.748 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.903 13.284 18.752 1.00 0.00 H new ATOM 72 N ASP A 6 4.532 10.560 14.069 1.00 0.00 N ATOM 73 CA ASP A 6 3.587 11.184 13.147 1.00 0.00 C ATOM 74 C ASP A 6 3.518 10.414 11.832 1.00 0.00 C ATOM 75 O ASP A 6 4.095 9.335 11.702 1.00 0.00 O ATOM 76 CB ASP A 6 3.987 12.635 12.876 1.00 0.00 C ATOM 77 CG ASP A 6 5.394 12.752 12.323 1.00 0.00 C ATOM 78 OD1 ASP A 6 6.356 12.583 13.103 1.00 0.00 O ATOM 79 OD2 ASP A 6 5.536 13.010 11.109 1.00 0.00 O ATOM 0 H ASP A 6 5.505 10.596 13.764 1.00 0.00 H new ATOM 0 HA ASP A 6 2.602 11.165 13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.284 13.077 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.914 13.208 13.800 1.00 0.00 H new ATOM 84 N CYS A 7 2.807 10.979 10.860 1.00 0.00 N ATOM 85 CA CYS A 7 2.661 10.348 9.553 1.00 0.00 C ATOM 86 C CYS A 7 2.486 11.401 8.460 1.00 0.00 C ATOM 87 O CYS A 7 1.388 11.917 8.249 1.00 0.00 O ATOM 88 CB CYS A 7 1.465 9.394 9.557 1.00 0.00 C ATOM 89 SG CYS A 7 1.806 7.763 8.821 1.00 0.00 S ATOM 0 H CYS A 7 2.323 11.872 10.953 1.00 0.00 H new ATOM 0 HA CYS A 7 3.568 9.780 9.344 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.131 9.253 10.585 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.642 9.859 9.015 1.00 0.00 H new ATOM 94 N PRO A 8 3.578 11.735 7.757 1.00 0.00 N ATOM 95 CA PRO A 8 3.568 12.732 6.684 1.00 0.00 C ATOM 96 C PRO A 8 2.921 12.206 5.405 1.00 0.00 C ATOM 97 O PRO A 8 3.580 12.074 4.373 1.00 0.00 O ATOM 98 CB PRO A 8 5.058 13.031 6.443 1.00 0.00 C ATOM 99 CG PRO A 8 5.804 12.297 7.512 1.00 0.00 C ATOM 100 CD PRO A 8 4.913 11.174 7.956 1.00 0.00 C ATOM 0 HA PRO A 8 2.985 13.610 6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.368 12.698 5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.254 14.102 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.751 11.914 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.039 12.959 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.068 10.273 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.089 10.903 8.997 1.00 0.00 H new ATOM 108 N GLU A 9 1.626 11.913 5.478 1.00 0.00 N ATOM 109 CA GLU A 9 0.886 11.408 4.325 1.00 0.00 C ATOM 110 C GLU A 9 1.530 10.143 3.764 1.00 0.00 C ATOM 111 O GLU A 9 2.713 10.135 3.422 1.00 0.00 O ATOM 112 CB GLU A 9 0.810 12.477 3.234 1.00 0.00 C ATOM 113 CG GLU A 9 0.109 12.008 1.969 1.00 0.00 C ATOM 114 CD GLU A 9 -1.334 12.466 1.901 1.00 0.00 C ATOM 115 OE1 GLU A 9 -1.580 13.680 2.055 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.219 11.610 1.691 1.00 0.00 O ATOM 0 H GLU A 9 1.066 12.017 6.324 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.122 11.160 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.287 13.349 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.820 12.799 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.647 12.383 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.144 10.920 1.920 1.00 0.00 H new ATOM 123 N CYS A 10 0.739 9.079 3.666 1.00 0.00 N ATOM 124 CA CYS A 10 1.224 7.807 3.140 1.00 0.00 C ATOM 125 C CYS A 10 1.938 8.005 1.805 1.00 0.00 C ATOM 126 O CYS A 10 1.368 8.553 0.862 1.00 0.00 O ATOM 127 CB CYS A 10 0.053 6.829 2.979 1.00 0.00 C ATOM 128 SG CYS A 10 0.167 5.744 1.518 1.00 0.00 S ATOM 0 H CYS A 10 -0.242 9.072 3.944 1.00 0.00 H new ATOM 0 HA CYS A 10 1.942 7.391 3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.010 6.208 3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.874 7.399 2.921 1.00 0.00 H new ATOM 133 N THR A 11 3.188 7.549 1.731 1.00 0.00 N ATOM 134 CA THR A 11 3.977 7.672 0.510 1.00 0.00 C ATOM 135 C THR A 11 5.149 6.711 0.538 1.00 0.00 C ATOM 136 O THR A 11 5.230 5.844 1.404 1.00 0.00 O ATOM 137 CB THR A 11 4.499 9.095 0.339 1.00 0.00 C ATOM 138 OG1 THR A 11 5.374 9.177 -0.771 1.00 0.00 O ATOM 139 CG2 THR A 11 5.249 9.602 1.553 1.00 0.00 C ATOM 0 H THR A 11 3.674 7.092 2.502 1.00 0.00 H new ATOM 0 HA THR A 11 3.327 7.429 -0.331 1.00 0.00 H new ATOM 0 HB THR A 11 3.615 9.715 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.697 10.097 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.595 10.619 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.587 9.595 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.106 8.957 1.747 1.00 0.00 H new ATOM 147 N LEU A 12 6.060 6.879 -0.409 1.00 0.00 N ATOM 148 CA LEU A 12 7.235 6.028 -0.490 1.00 0.00 C ATOM 149 C LEU A 12 8.419 6.666 0.198 1.00 0.00 C ATOM 150 O LEU A 12 8.712 7.845 0.000 1.00 0.00 O ATOM 151 CB LEU A 12 7.590 5.736 -1.939 1.00 0.00 C ATOM 152 CG LEU A 12 6.653 4.766 -2.636 1.00 0.00 C ATOM 153 CD1 LEU A 12 5.212 5.174 -2.390 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.965 4.725 -4.123 1.00 0.00 C ATOM 0 H LEU A 12 6.007 7.597 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 12 6.996 5.093 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.598 6.674 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.602 5.334 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 12 6.797 3.765 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.545 4.474 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.009 5.164 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.046 6.178 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.289 4.027 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.835 5.720 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.995 4.399 -4.270 1.00 0.00 H new ATOM 166 N GLN A 13 9.104 5.874 1.000 1.00 0.00 N ATOM 167 CA GLN A 13 10.269 6.363 1.710 1.00 0.00 C ATOM 168 C GLN A 13 11.538 5.905 1.038 1.00 0.00 C ATOM 169 O GLN A 13 12.408 5.291 1.654 1.00 0.00 O ATOM 170 CB GLN A 13 10.255 5.905 3.144 1.00 0.00 C ATOM 171 CG GLN A 13 9.386 6.770 4.036 1.00 0.00 C ATOM 172 CD GLN A 13 9.532 6.437 5.506 1.00 0.00 C ATOM 173 OE1 GLN A 13 10.409 5.667 5.899 1.00 0.00 O ATOM 174 NE2 GLN A 13 8.667 7.019 6.327 1.00 0.00 N ATOM 0 H GLN A 13 8.876 4.895 1.175 1.00 0.00 H new ATOM 0 HA GLN A 13 10.236 7.452 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.898 4.876 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.275 5.905 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.643 7.818 3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.343 6.651 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.957 7.650 5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.712 6.835 7.329 1.00 0.00 H new ATOM 183 N GLU A 14 11.604 6.212 -0.236 1.00 0.00 N ATOM 184 CA GLU A 14 12.737 5.854 -1.083 1.00 0.00 C ATOM 185 C GLU A 14 13.843 5.200 -0.280 1.00 0.00 C ATOM 186 O GLU A 14 14.373 5.766 0.676 1.00 0.00 O ATOM 187 CB GLU A 14 13.289 7.064 -1.824 1.00 0.00 C ATOM 188 CG GLU A 14 13.478 6.822 -3.314 1.00 0.00 C ATOM 189 CD GLU A 14 12.802 7.882 -4.164 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.562 7.830 -4.303 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.512 8.765 -4.689 1.00 0.00 O ATOM 0 H GLU A 14 10.870 6.722 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 14 12.365 5.138 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.613 7.907 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.246 7.345 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.543 6.802 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.077 5.842 -3.574 1.00 0.00 H new ATOM 198 N ASN A 15 14.161 3.993 -0.682 1.00 0.00 N ATOM 199 CA ASN A 15 15.177 3.193 -0.030 1.00 0.00 C ATOM 200 C ASN A 15 16.586 3.712 -0.277 1.00 0.00 C ATOM 201 O ASN A 15 17.128 3.573 -1.373 1.00 0.00 O ATOM 202 CB ASN A 15 15.078 1.765 -0.522 1.00 0.00 C ATOM 203 CG ASN A 15 14.745 0.787 0.571 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.551 -0.456 0.172 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 14.666 1.139 1.749 1.00 0.00 N flip ATOM 0 H ASN A 15 13.720 3.532 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 15 14.995 3.250 1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.315 1.706 -1.299 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.024 1.479 -0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.826 2.114 2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.441 0.455 2.472 1.00 0.00 H new ATOM 212 N PRO A 16 17.214 4.280 0.759 1.00 0.00 N ATOM 213 CA PRO A 16 18.580 4.778 0.679 1.00 0.00 C ATOM 214 C PRO A 16 19.568 3.649 0.935 1.00 0.00 C ATOM 215 O PRO A 16 20.619 3.842 1.546 1.00 0.00 O ATOM 216 CB PRO A 16 18.624 5.804 1.804 1.00 0.00 C ATOM 217 CG PRO A 16 17.700 5.256 2.842 1.00 0.00 C ATOM 218 CD PRO A 16 16.653 4.446 2.112 1.00 0.00 C ATOM 0 HA PRO A 16 18.843 5.193 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 16 19.635 5.923 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.298 6.785 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 16 18.243 4.634 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 16 17.237 6.062 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 16 16.484 3.484 2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.694 4.963 2.086 1.00 0.00 H new ATOM 226 N PHE A 17 19.191 2.461 0.477 1.00 0.00 N ATOM 227 CA PHE A 17 19.993 1.261 0.654 1.00 0.00 C ATOM 228 C PHE A 17 20.284 0.603 -0.685 1.00 0.00 C ATOM 229 O PHE A 17 21.433 0.492 -1.111 1.00 0.00 O ATOM 230 CB PHE A 17 19.229 0.274 1.535 1.00 0.00 C ATOM 231 CG PHE A 17 20.088 -0.445 2.528 1.00 0.00 C ATOM 232 CD1 PHE A 17 21.251 -1.073 2.124 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.727 -0.494 3.862 1.00 0.00 C ATOM 234 CE1 PHE A 17 22.046 -1.739 3.038 1.00 0.00 C ATOM 235 CE2 PHE A 17 20.516 -1.159 4.783 1.00 0.00 C ATOM 236 CZ PHE A 17 21.678 -1.783 4.369 1.00 0.00 C ATOM 0 H PHE A 17 18.319 2.305 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 17 20.937 1.540 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 17 18.445 0.811 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.736 -0.460 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 17 21.541 -1.043 1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.819 -0.008 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.954 -2.224 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.225 -1.191 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.297 -2.304 5.085 1.00 0.00 H new ATOM 246 N PHE A 18 19.218 0.161 -1.333 1.00 0.00 N ATOM 247 CA PHE A 18 19.312 -0.505 -2.622 1.00 0.00 C ATOM 248 C PHE A 18 19.719 0.476 -3.714 1.00 0.00 C ATOM 249 O PHE A 18 20.396 0.105 -4.673 1.00 0.00 O ATOM 250 CB PHE A 18 17.964 -1.138 -2.959 1.00 0.00 C ATOM 251 CG PHE A 18 17.891 -1.723 -4.341 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.029 -0.915 -5.456 1.00 0.00 C ATOM 253 CD2 PHE A 18 17.688 -3.082 -4.523 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.968 -1.449 -6.729 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.628 -3.623 -5.794 1.00 0.00 C ATOM 256 CZ PHE A 18 17.769 -2.805 -6.898 1.00 0.00 C ATOM 0 H PHE A 18 18.265 0.254 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 18 20.078 -1.279 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.751 -1.922 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.184 -0.384 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.186 0.146 -5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.575 -3.725 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.076 -0.807 -7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.471 -4.684 -5.923 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.724 -3.225 -7.892 1.00 0.00 H new ATOM 266 N SER A 19 19.286 1.725 -3.561 1.00 0.00 N ATOM 267 CA SER A 19 19.576 2.784 -4.525 1.00 0.00 C ATOM 268 C SER A 19 20.525 2.316 -5.628 1.00 0.00 C ATOM 269 O SER A 19 21.649 1.891 -5.363 1.00 0.00 O ATOM 270 CB SER A 19 20.163 4.004 -3.815 1.00 0.00 C ATOM 271 OG SER A 19 21.579 3.991 -3.860 1.00 0.00 O ATOM 0 H SER A 19 18.725 2.032 -2.766 1.00 0.00 H new ATOM 0 HA SER A 19 18.632 3.057 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.790 4.915 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.830 4.019 -2.777 1.00 0.00 H new ATOM 0 HG SER A 19 21.891 3.086 -4.069 1.00 0.00 H new ATOM 277 N GLN A 20 20.054 2.408 -6.866 1.00 0.00 N ATOM 278 CA GLN A 20 20.842 2.007 -8.026 1.00 0.00 C ATOM 279 C GLN A 20 20.816 3.093 -9.095 1.00 0.00 C ATOM 280 O GLN A 20 19.926 3.944 -9.108 1.00 0.00 O ATOM 281 CB GLN A 20 20.310 0.688 -8.600 1.00 0.00 C ATOM 282 CG GLN A 20 19.802 0.796 -10.031 1.00 0.00 C ATOM 283 CD GLN A 20 19.002 -0.419 -10.458 1.00 0.00 C ATOM 284 OE1 GLN A 20 18.264 -1.002 -9.662 1.00 0.00 O ATOM 285 NE2 GLN A 20 19.143 -0.810 -11.720 1.00 0.00 N ATOM 0 H GLN A 20 19.124 2.759 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 20 21.874 1.862 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.103 -0.059 -8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 20 19.501 0.327 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.181 1.687 -10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.649 0.924 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.765 -0.298 -12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 20 18.629 -1.622 -12.063 1.00 0.00 H new ATOM 294 N PRO A 21 21.795 3.071 -10.011 1.00 0.00 N ATOM 295 CA PRO A 21 21.894 4.044 -11.093 1.00 0.00 C ATOM 296 C PRO A 21 20.529 4.482 -11.616 1.00 0.00 C ATOM 297 O PRO A 21 20.056 3.979 -12.635 1.00 0.00 O ATOM 298 CB PRO A 21 22.653 3.266 -12.162 1.00 0.00 C ATOM 299 CG PRO A 21 23.552 2.346 -11.401 1.00 0.00 C ATOM 300 CD PRO A 21 22.890 2.086 -10.066 1.00 0.00 C ATOM 0 HA PRO A 21 22.377 4.969 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.971 2.710 -12.805 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.225 3.934 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.701 1.414 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.536 2.795 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.512 1.066 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.589 2.221 -9.241 1.00 0.00 H new ATOM 308 N GLY A 22 19.902 5.424 -10.917 1.00 0.00 N ATOM 309 CA GLY A 22 18.601 5.914 -11.337 1.00 0.00 C ATOM 310 C GLY A 22 17.447 5.273 -10.583 1.00 0.00 C ATOM 311 O GLY A 22 16.363 5.099 -11.139 1.00 0.00 O ATOM 0 H GLY A 22 20.270 5.856 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.564 6.994 -11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.477 5.728 -12.404 1.00 0.00 H new ATOM 315 N ALA A 23 17.670 4.926 -9.318 1.00 0.00 N ATOM 316 CA ALA A 23 16.623 4.308 -8.505 1.00 0.00 C ATOM 317 C ALA A 23 17.076 4.094 -7.075 1.00 0.00 C ATOM 318 O ALA A 23 17.937 3.266 -6.793 1.00 0.00 O ATOM 319 CB ALA A 23 16.171 2.994 -9.126 1.00 0.00 C ATOM 0 H ALA A 23 18.559 5.060 -8.835 1.00 0.00 H new ATOM 0 HA ALA A 23 15.777 4.994 -8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.392 2.548 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.779 3.180 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.018 2.311 -9.190 1.00 0.00 H new ATOM 325 N PRO A 24 16.490 4.868 -6.160 1.00 0.00 N ATOM 326 CA PRO A 24 16.790 4.836 -4.744 1.00 0.00 C ATOM 327 C PRO A 24 15.777 4.020 -3.950 1.00 0.00 C ATOM 328 O PRO A 24 15.479 4.322 -2.795 1.00 0.00 O ATOM 329 CB PRO A 24 16.707 6.324 -4.393 1.00 0.00 C ATOM 330 CG PRO A 24 15.858 6.962 -5.463 1.00 0.00 C ATOM 331 CD PRO A 24 15.480 5.881 -6.432 1.00 0.00 C ATOM 0 HA PRO A 24 17.744 4.364 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 24 16.264 6.467 -3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 24 17.700 6.773 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.968 7.417 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.408 7.756 -5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.471 5.509 -6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.516 6.227 -7.465 1.00 0.00 H new ATOM 339 N ILE A 25 15.264 2.981 -4.594 1.00 0.00 N ATOM 340 CA ILE A 25 14.286 2.085 -4.005 1.00 0.00 C ATOM 341 C ILE A 25 13.333 2.794 -3.067 1.00 0.00 C ATOM 342 O ILE A 25 13.395 4.009 -2.916 1.00 0.00 O ATOM 343 CB ILE A 25 14.950 0.894 -3.315 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.717 0.123 -4.354 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.885 -0.001 -2.725 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.923 -0.018 -5.621 1.00 0.00 C ATOM 0 H ILE A 25 15.520 2.736 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 25 13.690 1.703 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 25 15.614 1.237 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.658 0.630 -4.566 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.967 -0.865 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.356 -0.851 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.299 0.561 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.230 -0.359 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.503 -0.580 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.994 -0.547 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.695 0.971 -6.020 1.00 0.00 H new ATOM 358 N LEU A 26 12.388 2.044 -2.504 1.00 0.00 N ATOM 359 CA LEU A 26 11.370 2.640 -1.670 1.00 0.00 C ATOM 360 C LEU A 26 10.740 1.680 -0.700 1.00 0.00 C ATOM 361 O LEU A 26 11.271 0.623 -0.370 1.00 0.00 O ATOM 362 CB LEU A 26 10.299 3.136 -2.604 1.00 0.00 C ATOM 363 CG LEU A 26 10.751 3.092 -4.049 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.592 2.829 -4.984 1.00 0.00 C ATOM 365 CD2 LEU A 26 11.460 4.379 -4.429 1.00 0.00 C ATOM 0 H LEU A 26 12.313 1.033 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 26 11.833 3.424 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.402 2.528 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.029 4.158 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 26 11.454 2.265 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.953 2.804 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.135 1.871 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.852 3.622 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.776 4.326 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.780 5.221 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.333 4.515 -3.791 1.00 0.00 H new ATOM 377 N GLN A 27 9.576 2.093 -0.268 1.00 0.00 N ATOM 378 CA GLN A 27 8.772 1.321 0.666 1.00 0.00 C ATOM 379 C GLN A 27 7.727 2.201 1.335 1.00 0.00 C ATOM 380 O GLN A 27 7.928 2.695 2.444 1.00 0.00 O ATOM 381 CB GLN A 27 9.664 0.661 1.710 1.00 0.00 C ATOM 382 CG GLN A 27 8.903 0.165 2.928 1.00 0.00 C ATOM 383 CD GLN A 27 9.050 -1.330 3.134 1.00 0.00 C ATOM 384 OE1 GLN A 27 9.453 -2.057 2.226 1.00 0.00 O ATOM 385 NE2 GLN A 27 8.718 -1.796 4.331 1.00 0.00 N ATOM 0 H GLN A 27 9.151 2.976 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 27 8.252 0.542 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.188 -0.178 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.424 1.374 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.262 0.688 3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.847 0.411 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.389 -1.156 5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.792 -2.794 4.528 1.00 0.00 H new ATOM 394 N CYS A 28 6.615 2.393 0.636 1.00 0.00 N ATOM 395 CA CYS A 28 5.519 3.217 1.129 1.00 0.00 C ATOM 396 C CYS A 28 5.513 3.261 2.654 1.00 0.00 C ATOM 397 O CYS A 28 5.210 2.263 3.307 1.00 0.00 O ATOM 398 CB CYS A 28 4.173 2.690 0.628 1.00 0.00 C ATOM 399 SG CYS A 28 3.148 3.945 -0.210 1.00 0.00 S ATOM 0 H CYS A 28 6.448 1.984 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 28 5.670 4.227 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.352 1.864 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.616 2.286 1.473 1.00 0.00 H new ATOM 404 N MET A 29 5.850 4.415 3.219 1.00 0.00 N ATOM 405 CA MET A 29 5.877 4.564 4.670 1.00 0.00 C ATOM 406 C MET A 29 5.134 5.820 5.106 1.00 0.00 C ATOM 407 O MET A 29 5.688 6.919 5.095 1.00 0.00 O ATOM 408 CB MET A 29 7.320 4.604 5.177 1.00 0.00 C ATOM 409 CG MET A 29 7.825 3.260 5.679 1.00 0.00 C ATOM 410 SD MET A 29 7.611 3.055 7.458 1.00 0.00 S ATOM 411 CE MET A 29 8.533 1.544 7.738 1.00 0.00 C ATOM 0 H MET A 29 6.106 5.255 2.700 1.00 0.00 H new ATOM 0 HA MET A 29 5.373 3.701 5.105 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.970 4.950 4.373 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.393 5.335 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.296 2.461 5.159 1.00 0.00 H new ATOM 0 HG3 MET A 29 8.881 3.158 5.430 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.494 1.285 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.096 0.737 7.151 1.00 0.00 H new ATOM 0 HE3 MET A 29 9.571 1.690 7.438 1.00 0.00 H new ATOM 421 N GLY A 30 3.874 5.646 5.491 1.00 0.00 N ATOM 422 CA GLY A 30 3.069 6.770 5.929 1.00 0.00 C ATOM 423 C GLY A 30 1.630 6.375 6.203 1.00 0.00 C ATOM 424 O GLY A 30 1.342 5.207 6.466 1.00 0.00 O ATOM 0 H GLY A 30 3.396 4.745 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.505 7.196 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.091 7.549 5.167 1.00 0.00 H new ATOM 428 N CYS A 31 0.725 7.346 6.145 1.00 0.00 N ATOM 429 CA CYS A 31 -0.689 7.085 6.394 1.00 0.00 C ATOM 430 C CYS A 31 -1.572 7.858 5.419 1.00 0.00 C ATOM 431 O CYS A 31 -1.375 9.052 5.198 1.00 0.00 O ATOM 432 CB CYS A 31 -1.045 7.460 7.834 1.00 0.00 C ATOM 433 SG CYS A 31 0.070 6.742 9.082 1.00 0.00 S ATOM 0 H CYS A 31 0.944 8.318 5.928 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.869 6.021 6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.031 8.546 7.930 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.064 7.135 8.042 1.00 0.00 H new ATOM 438 N CYS A 32 -2.550 7.167 4.840 1.00 0.00 N ATOM 439 CA CYS A 32 -3.469 7.786 3.891 1.00 0.00 C ATOM 440 C CYS A 32 -4.484 8.664 4.617 1.00 0.00 C ATOM 441 O CYS A 32 -4.299 9.003 5.786 1.00 0.00 O ATOM 442 CB CYS A 32 -4.195 6.711 3.081 1.00 0.00 C ATOM 443 SG CYS A 32 -3.192 5.984 1.746 1.00 0.00 S ATOM 0 H CYS A 32 -2.726 6.177 5.012 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.890 8.413 3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.514 5.916 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.097 7.144 2.649 1.00 0.00 H new ATOM 448 N PHE A 33 -5.557 9.030 3.920 1.00 0.00 N ATOM 449 CA PHE A 33 -6.596 9.869 4.506 1.00 0.00 C ATOM 450 C PHE A 33 -7.882 9.079 4.728 1.00 0.00 C ATOM 451 O PHE A 33 -8.093 8.510 5.799 1.00 0.00 O ATOM 452 CB PHE A 33 -6.873 11.079 3.610 1.00 0.00 C ATOM 453 CG PHE A 33 -5.760 12.087 3.606 1.00 0.00 C ATOM 454 CD1 PHE A 33 -4.796 12.076 4.601 1.00 0.00 C ATOM 455 CD2 PHE A 33 -5.676 13.045 2.607 1.00 0.00 C ATOM 456 CE1 PHE A 33 -3.771 13.001 4.603 1.00 0.00 C ATOM 457 CE2 PHE A 33 -4.652 13.974 2.604 1.00 0.00 C ATOM 458 CZ PHE A 33 -3.698 13.951 3.603 1.00 0.00 C ATOM 0 H PHE A 33 -5.728 8.759 2.952 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.237 10.217 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.045 10.735 2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.791 11.564 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.847 11.335 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.418 13.066 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.027 12.982 5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.598 14.717 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.896 14.675 3.602 1.00 0.00 H new ATOM 468 N SER A 34 -8.742 9.054 3.715 1.00 0.00 N ATOM 469 CA SER A 34 -10.010 8.339 3.812 1.00 0.00 C ATOM 470 C SER A 34 -10.277 7.500 2.564 1.00 0.00 C ATOM 471 O SER A 34 -10.758 6.371 2.659 1.00 0.00 O ATOM 472 CB SER A 34 -11.159 9.326 4.027 1.00 0.00 C ATOM 473 OG SER A 34 -12.396 8.766 3.621 1.00 0.00 O ATOM 0 H SER A 34 -8.585 9.519 2.821 1.00 0.00 H new ATOM 0 HA SER A 34 -9.945 7.665 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.211 9.605 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.968 10.240 3.464 1.00 0.00 H new ATOM 0 HG SER A 34 -13.114 9.416 3.770 1.00 0.00 H new ATOM 479 N ARG A 35 -9.974 8.060 1.397 1.00 0.00 N ATOM 480 CA ARG A 35 -10.195 7.361 0.134 1.00 0.00 C ATOM 481 C ARG A 35 -11.688 7.239 -0.160 1.00 0.00 C ATOM 482 O ARG A 35 -12.318 6.237 0.178 1.00 0.00 O ATOM 483 CB ARG A 35 -9.556 5.971 0.167 1.00 0.00 C ATOM 484 CG ARG A 35 -9.828 5.148 -1.081 1.00 0.00 C ATOM 485 CD ARG A 35 -9.353 5.862 -2.336 1.00 0.00 C ATOM 486 NE ARG A 35 -9.543 5.045 -3.530 1.00 0.00 N ATOM 487 CZ ARG A 35 -8.702 5.033 -4.559 1.00 0.00 C ATOM 488 NH1 ARG A 35 -7.614 5.792 -4.542 1.00 0.00 N ATOM 489 NH2 ARG A 35 -8.947 4.259 -5.606 1.00 0.00 N ATOM 0 H ARG A 35 -9.576 8.994 1.299 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.727 7.944 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.479 6.078 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.927 5.430 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.326 4.184 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.896 4.946 -1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.896 6.800 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.298 6.115 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.369 4.449 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.420 6.388 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.971 5.780 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.781 3.672 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.301 4.250 -6.396 1.00 0.00 H new ATOM 503 N ALA A 36 -12.247 8.270 -0.784 1.00 0.00 N ATOM 504 CA ALA A 36 -13.667 8.288 -1.118 1.00 0.00 C ATOM 505 C ALA A 36 -13.988 7.321 -2.253 1.00 0.00 C ATOM 506 O ALA A 36 -13.110 6.616 -2.751 1.00 0.00 O ATOM 507 CB ALA A 36 -14.101 9.699 -1.484 1.00 0.00 C ATOM 0 H ALA A 36 -11.737 9.106 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.222 7.961 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.163 9.700 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.924 10.365 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.527 10.044 -2.344 1.00 0.00 H new ATOM 513 N TYR A 37 -15.255 7.297 -2.660 1.00 0.00 N ATOM 514 CA TYR A 37 -15.696 6.419 -3.739 1.00 0.00 C ATOM 515 C TYR A 37 -16.179 7.232 -4.937 1.00 0.00 C ATOM 516 O TYR A 37 -17.286 7.770 -4.931 1.00 0.00 O ATOM 517 CB TYR A 37 -16.814 5.493 -3.253 1.00 0.00 C ATOM 518 CG TYR A 37 -16.823 5.274 -1.756 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.417 6.197 -0.904 1.00 0.00 C ATOM 520 CD2 TYR A 37 -16.243 4.142 -1.195 1.00 0.00 C ATOM 521 CE1 TYR A 37 -17.430 6.000 0.464 1.00 0.00 C ATOM 522 CE2 TYR A 37 -16.253 3.938 0.172 1.00 0.00 C ATOM 523 CZ TYR A 37 -16.848 4.870 0.996 1.00 0.00 C ATOM 524 OH TYR A 37 -16.861 4.671 2.357 1.00 0.00 O ATOM 0 H TYR A 37 -15.993 7.875 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.845 5.814 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.775 5.910 -3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.715 4.528 -3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.876 7.083 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.777 3.410 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.894 6.728 1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.797 3.054 0.592 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.411 3.827 2.568 1.00 0.00 H new ATOM 534 N PRO A 38 -15.345 7.329 -5.984 1.00 0.00 N ATOM 535 CA PRO A 38 -15.678 8.078 -7.201 1.00 0.00 C ATOM 536 C PRO A 38 -17.061 7.730 -7.741 1.00 0.00 C ATOM 537 O PRO A 38 -17.782 6.923 -7.154 1.00 0.00 O ATOM 538 CB PRO A 38 -14.594 7.640 -8.185 1.00 0.00 C ATOM 539 CG PRO A 38 -13.430 7.285 -7.327 1.00 0.00 C ATOM 540 CD PRO A 38 -14.007 6.715 -6.060 1.00 0.00 C ATOM 0 HA PRO A 38 -15.709 9.153 -7.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.921 6.789 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.344 8.440 -8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.786 6.559 -7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.818 8.162 -7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.066 5.627 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.399 6.969 -5.192 1.00 0.00 H new ATOM 548 N THR A 39 -17.426 8.347 -8.862 1.00 0.00 N ATOM 549 CA THR A 39 -18.725 8.107 -9.483 1.00 0.00 C ATOM 550 C THR A 39 -19.158 6.656 -9.304 1.00 0.00 C ATOM 551 O THR A 39 -18.411 5.729 -9.616 1.00 0.00 O ATOM 552 CB THR A 39 -18.680 8.456 -10.972 1.00 0.00 C ATOM 553 OG1 THR A 39 -17.442 8.071 -11.543 1.00 0.00 O ATOM 554 CG2 THR A 39 -18.875 9.932 -11.247 1.00 0.00 C ATOM 0 H THR A 39 -16.840 9.017 -9.359 1.00 0.00 H new ATOM 0 HA THR A 39 -19.454 8.749 -8.989 1.00 0.00 H new ATOM 0 HB THR A 39 -19.507 7.907 -11.421 1.00 0.00 H new ATOM 0 HG1 THR A 39 -17.435 8.302 -12.495 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.832 10.111 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.846 10.248 -10.865 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.088 10.501 -10.753 1.00 0.00 H new ATOM 562 N PRO A 40 -20.379 6.446 -8.794 1.00 0.00 N ATOM 563 CA PRO A 40 -20.923 5.104 -8.567 1.00 0.00 C ATOM 564 C PRO A 40 -20.894 4.242 -9.825 1.00 0.00 C ATOM 565 O PRO A 40 -21.559 4.547 -10.816 1.00 0.00 O ATOM 566 CB PRO A 40 -22.368 5.369 -8.138 1.00 0.00 C ATOM 567 CG PRO A 40 -22.361 6.759 -7.602 1.00 0.00 C ATOM 568 CD PRO A 40 -21.323 7.503 -8.395 1.00 0.00 C ATOM 0 HA PRO A 40 -20.339 4.552 -7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -23.054 5.274 -8.980 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -22.692 4.655 -7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -23.341 7.224 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.119 6.766 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -21.759 8.001 -9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.835 8.273 -7.797 1.00 0.00 H new ATOM 576 N LEU A 41 -20.123 3.161 -9.774 1.00 0.00 N ATOM 577 CA LEU A 41 -20.009 2.244 -10.904 1.00 0.00 C ATOM 578 C LEU A 41 -21.068 1.147 -10.808 1.00 0.00 C ATOM 579 O LEU A 41 -22.202 1.403 -10.403 1.00 0.00 O ATOM 580 CB LEU A 41 -18.609 1.623 -10.938 1.00 0.00 C ATOM 581 CG LEU A 41 -18.138 1.155 -12.317 1.00 0.00 C ATOM 582 CD1 LEU A 41 -17.152 2.149 -12.911 1.00 0.00 C ATOM 583 CD2 LEU A 41 -17.513 -0.229 -12.223 1.00 0.00 C ATOM 0 H LEU A 41 -19.566 2.897 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.170 2.804 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.895 2.353 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.589 0.772 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.004 1.098 -12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.828 1.799 -13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -17.633 3.122 -13.014 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.287 2.240 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.183 -0.547 -13.212 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.658 -0.197 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.250 -0.936 -11.841 1.00 0.00 H new ATOM 595 N ARG A 42 -20.692 -0.075 -11.172 1.00 0.00 N ATOM 596 CA ARG A 42 -21.612 -1.206 -11.112 1.00 0.00 C ATOM 597 C ARG A 42 -21.556 -1.863 -9.738 1.00 0.00 C ATOM 598 O ARG A 42 -22.018 -2.989 -9.554 1.00 0.00 O ATOM 599 CB ARG A 42 -21.268 -2.232 -12.193 1.00 0.00 C ATOM 600 CG ARG A 42 -21.730 -1.829 -13.583 1.00 0.00 C ATOM 601 CD ARG A 42 -23.244 -1.732 -13.659 1.00 0.00 C ATOM 602 NE ARG A 42 -23.697 -1.365 -14.997 1.00 0.00 N ATOM 603 CZ ARG A 42 -24.748 -1.911 -15.602 1.00 0.00 C ATOM 604 NH1 ARG A 42 -25.475 -2.830 -14.981 1.00 0.00 N ATOM 605 NH2 ARG A 42 -25.076 -1.531 -16.829 1.00 0.00 N ATOM 0 H ARG A 42 -19.758 -0.307 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 42 -22.622 -0.836 -11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -20.189 -2.384 -12.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -21.721 -3.188 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -21.289 -0.869 -13.850 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -21.374 -2.557 -14.312 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -23.684 -2.688 -13.376 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -23.597 -0.993 -12.940 1.00 0.00 H new ATOM 0 HE ARG A 42 -23.176 -0.646 -15.499 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -25.229 -3.121 -14.035 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -26.280 -3.246 -15.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -24.523 -0.821 -17.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -25.882 -1.949 -17.294 1.00 0.00 H new ATOM 619 N SER A 43 -20.980 -1.147 -8.778 1.00 0.00 N ATOM 620 CA SER A 43 -20.849 -1.646 -7.415 1.00 0.00 C ATOM 621 C SER A 43 -19.956 -0.720 -6.596 1.00 0.00 C ATOM 622 O SER A 43 -20.336 -0.265 -5.517 1.00 0.00 O ATOM 623 CB SER A 43 -20.269 -3.062 -7.422 1.00 0.00 C ATOM 624 OG SER A 43 -19.453 -3.283 -6.285 1.00 0.00 O ATOM 0 H SER A 43 -20.594 -0.214 -8.921 1.00 0.00 H new ATOM 0 HA SER A 43 -21.839 -1.673 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.080 -3.791 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 43 -19.684 -3.215 -8.329 1.00 0.00 H new ATOM 0 HG SER A 43 -19.095 -4.195 -6.311 1.00 0.00 H new ATOM 630 N LYS A 44 -18.768 -0.441 -7.124 1.00 0.00 N ATOM 631 CA LYS A 44 -17.815 0.438 -6.456 1.00 0.00 C ATOM 632 C LYS A 44 -17.872 0.266 -4.941 1.00 0.00 C ATOM 633 O LYS A 44 -17.610 1.204 -4.188 1.00 0.00 O ATOM 634 CB LYS A 44 -18.096 1.895 -6.826 1.00 0.00 C ATOM 635 CG LYS A 44 -17.089 2.878 -6.251 1.00 0.00 C ATOM 636 CD LYS A 44 -15.660 2.451 -6.547 1.00 0.00 C ATOM 637 CE LYS A 44 -14.915 3.510 -7.344 1.00 0.00 C ATOM 638 NZ LYS A 44 -14.794 3.139 -8.781 1.00 0.00 N ATOM 0 H LYS A 44 -18.442 -0.813 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 44 -16.814 0.166 -6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.103 1.990 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.093 2.163 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -17.267 3.869 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.230 2.956 -5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.134 2.262 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.667 1.514 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.436 4.463 -7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.921 3.651 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.280 3.886 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.274 2.242 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.743 3.029 -9.192 1.00 0.00 H new ATOM 652 N LYS A 45 -18.213 -0.938 -4.498 1.00 0.00 N ATOM 653 CA LYS A 45 -18.300 -1.225 -3.073 1.00 0.00 C ATOM 654 C LYS A 45 -19.520 -0.546 -2.458 1.00 0.00 C ATOM 655 O LYS A 45 -19.415 0.536 -1.882 1.00 0.00 O ATOM 656 CB LYS A 45 -17.029 -0.759 -2.358 1.00 0.00 C ATOM 657 CG LYS A 45 -15.785 -0.801 -3.233 1.00 0.00 C ATOM 658 CD LYS A 45 -14.629 -1.486 -2.521 1.00 0.00 C ATOM 659 CE LYS A 45 -13.329 -1.342 -3.296 1.00 0.00 C ATOM 660 NZ LYS A 45 -12.476 -0.248 -2.752 1.00 0.00 N ATOM 0 H LYS A 45 -18.433 -1.729 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.403 -2.303 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.177 0.260 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.866 -1.384 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.008 -1.329 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.496 0.214 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.509 -1.058 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.858 -2.543 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.779 -2.283 -3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.551 -1.142 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.599 -0.182 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.990 0.654 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.242 -0.451 -1.759 1.00 0.00 H new ATOM 674 N THR A 46 -20.677 -1.189 -2.583 1.00 0.00 N ATOM 675 CA THR A 46 -21.914 -0.644 -2.038 1.00 0.00 C ATOM 676 C THR A 46 -22.497 -1.576 -0.979 1.00 0.00 C ATOM 677 O THR A 46 -23.314 -1.164 -0.156 1.00 0.00 O ATOM 678 CB THR A 46 -22.934 -0.418 -3.157 1.00 0.00 C ATOM 679 OG1 THR A 46 -24.103 0.203 -2.653 1.00 0.00 O ATOM 680 CG2 THR A 46 -23.356 -1.695 -3.851 1.00 0.00 C ATOM 0 H THR A 46 -20.783 -2.086 -3.056 1.00 0.00 H new ATOM 0 HA THR A 46 -21.686 0.313 -1.568 1.00 0.00 H new ATOM 0 HB THR A 46 -22.429 0.220 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 46 -24.742 0.340 -3.384 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.079 -1.462 -4.632 1.00 0.00 H new ATOM 0 HG22 THR A 46 -22.483 -2.173 -4.295 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.810 -2.370 -3.126 1.00 0.00 H new ATOM 688 N MET A 47 -22.070 -2.834 -1.007 1.00 0.00 N ATOM 689 CA MET A 47 -22.547 -3.827 -0.052 1.00 0.00 C ATOM 690 C MET A 47 -21.964 -3.580 1.337 1.00 0.00 C ATOM 691 O MET A 47 -21.112 -4.336 1.807 1.00 0.00 O ATOM 692 CB MET A 47 -22.183 -5.234 -0.528 1.00 0.00 C ATOM 693 CG MET A 47 -23.255 -6.274 -0.241 1.00 0.00 C ATOM 694 SD MET A 47 -23.427 -6.626 1.518 1.00 0.00 S ATOM 695 CE MET A 47 -24.680 -7.905 1.487 1.00 0.00 C ATOM 0 H MET A 47 -21.393 -3.190 -1.682 1.00 0.00 H new ATOM 0 HA MET A 47 -23.631 -3.739 0.013 1.00 0.00 H new ATOM 0 HB2 MET A 47 -21.994 -5.207 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 47 -21.254 -5.541 -0.048 1.00 0.00 H new ATOM 0 HG2 MET A 47 -24.210 -5.923 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 47 -23.013 -7.196 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 47 -24.896 -8.228 2.506 1.00 0.00 H new ATOM 0 HE2 MET A 47 -25.589 -7.513 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 47 -24.319 -8.754 0.906 1.00 0.00 H new ATOM 705 N LEU A 48 -22.430 -2.520 1.990 1.00 0.00 N ATOM 706 CA LEU A 48 -21.959 -2.176 3.327 1.00 0.00 C ATOM 707 C LEU A 48 -23.133 -1.935 4.271 1.00 0.00 C ATOM 708 O LEU A 48 -24.230 -1.583 3.838 1.00 0.00 O ATOM 709 CB LEU A 48 -21.070 -0.930 3.278 1.00 0.00 C ATOM 710 CG LEU A 48 -19.920 -0.987 2.270 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.298 -0.264 0.985 1.00 0.00 C ATOM 712 CD2 LEU A 48 -18.659 -0.385 2.870 1.00 0.00 C ATOM 0 H LEU A 48 -23.134 -1.884 1.615 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.375 -3.016 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -21.694 -0.067 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -20.653 -0.762 4.271 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.724 -2.032 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.468 -0.315 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.176 -0.738 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -20.521 0.780 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.850 -0.433 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.844 0.655 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.377 -0.945 3.762 1.00 0.00 H new ATOM 724 N VAL A 49 -22.892 -2.123 5.565 1.00 0.00 N ATOM 725 CA VAL A 49 -23.927 -1.923 6.573 1.00 0.00 C ATOM 726 C VAL A 49 -24.970 -3.035 6.528 1.00 0.00 C ATOM 727 O VAL A 49 -26.057 -2.904 7.092 1.00 0.00 O ATOM 728 CB VAL A 49 -24.631 -0.567 6.389 1.00 0.00 C ATOM 729 CG1 VAL A 49 -25.620 -0.320 7.518 1.00 0.00 C ATOM 730 CG2 VAL A 49 -23.609 0.557 6.311 1.00 0.00 C ATOM 0 H VAL A 49 -21.989 -2.414 5.940 1.00 0.00 H new ATOM 0 HA VAL A 49 -23.429 -1.940 7.542 1.00 0.00 H new ATOM 0 HB VAL A 49 -25.186 -0.590 5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -26.108 0.644 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -26.371 -1.110 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -25.091 -0.316 8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -24.124 1.509 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.026 0.583 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -22.944 0.386 5.465 1.00 0.00 H new ATOM 740 N GLN A 50 -24.632 -4.130 5.857 1.00 0.00 N ATOM 741 CA GLN A 50 -25.537 -5.269 5.742 1.00 0.00 C ATOM 742 C GLN A 50 -24.759 -6.578 5.807 1.00 0.00 C ATOM 743 O GLN A 50 -24.086 -6.957 4.849 1.00 0.00 O ATOM 744 CB GLN A 50 -26.327 -5.196 4.434 1.00 0.00 C ATOM 745 CG GLN A 50 -27.105 -3.902 4.265 1.00 0.00 C ATOM 746 CD GLN A 50 -27.000 -3.339 2.861 1.00 0.00 C ATOM 747 OE1 GLN A 50 -27.060 -4.077 1.878 1.00 0.00 O ATOM 748 NE2 GLN A 50 -26.842 -2.025 2.761 1.00 0.00 N ATOM 0 H GLN A 50 -23.737 -4.254 5.384 1.00 0.00 H new ATOM 0 HA GLN A 50 -26.236 -5.234 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -25.638 -5.308 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -27.021 -6.036 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -28.154 -4.079 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.735 -3.164 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -26.798 -1.451 3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -26.765 -1.589 1.842 1.00 0.00 H new ATOM 757 N LYS A 51 -24.848 -7.260 6.943 1.00 0.00 N ATOM 758 CA LYS A 51 -24.143 -8.522 7.127 1.00 0.00 C ATOM 759 C LYS A 51 -22.635 -8.299 7.094 1.00 0.00 C ATOM 760 O LYS A 51 -22.165 -7.244 6.667 1.00 0.00 O ATOM 761 CB LYS A 51 -24.545 -9.521 6.041 1.00 0.00 C ATOM 762 CG LYS A 51 -25.614 -10.507 6.484 1.00 0.00 C ATOM 763 CD LYS A 51 -25.001 -11.769 7.069 1.00 0.00 C ATOM 764 CE LYS A 51 -25.949 -12.952 6.952 1.00 0.00 C ATOM 765 NZ LYS A 51 -26.740 -12.908 5.690 1.00 0.00 N ATOM 0 H LYS A 51 -25.399 -6.961 7.748 1.00 0.00 H new ATOM 0 HA LYS A 51 -24.418 -8.929 8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -24.907 -8.973 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -23.661 -10.075 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -26.259 -10.037 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -26.244 -10.768 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.068 -11.996 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.752 -11.602 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.378 -13.880 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -26.627 -12.959 7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.094 -13.861 5.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -27.544 -12.259 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.135 -12.574 4.913 1.00 0.00 H new ATOM 779 N ASN A 52 -21.879 -9.296 7.541 1.00 0.00 N ATOM 780 CA ASN A 52 -20.425 -9.197 7.553 1.00 0.00 C ATOM 781 C ASN A 52 -19.977 -7.832 8.070 1.00 0.00 C ATOM 782 O ASN A 52 -19.415 -7.030 7.324 1.00 0.00 O ATOM 783 CB ASN A 52 -19.872 -9.425 6.145 1.00 0.00 C ATOM 784 CG ASN A 52 -19.518 -10.876 5.890 1.00 0.00 C ATOM 785 OD1 ASN A 52 -20.314 -11.634 5.333 1.00 0.00 O ATOM 786 ND2 ASN A 52 -18.318 -11.272 6.296 1.00 0.00 N ATOM 0 H ASN A 52 -22.247 -10.178 7.898 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.036 -9.965 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.609 -9.100 5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.986 -8.807 6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.023 -12.238 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.690 -10.611 6.753 1.00 0.00 H new ATOM 793 N VAL A 53 -20.232 -7.572 9.349 1.00 0.00 N ATOM 794 CA VAL A 53 -19.856 -6.301 9.960 1.00 0.00 C ATOM 795 C VAL A 53 -18.415 -6.330 10.460 1.00 0.00 C ATOM 796 O VAL A 53 -17.878 -7.391 10.777 1.00 0.00 O ATOM 797 CB VAL A 53 -20.783 -5.943 11.137 1.00 0.00 C ATOM 798 CG1 VAL A 53 -22.114 -5.410 10.629 1.00 0.00 C ATOM 799 CG2 VAL A 53 -20.992 -7.149 12.038 1.00 0.00 C ATOM 0 H VAL A 53 -20.697 -8.223 9.982 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.954 -5.543 9.183 1.00 0.00 H new ATOM 0 HB VAL A 53 -20.306 -5.158 11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -22.754 -5.163 11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -21.943 -4.515 10.030 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -22.600 -6.169 10.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.649 -6.877 12.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -21.445 -7.957 11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -20.031 -7.479 12.433 1.00 0.00 H new ATOM 809 N THR A 54 -17.798 -5.156 10.531 1.00 0.00 N ATOM 810 CA THR A 54 -16.421 -5.035 10.996 1.00 0.00 C ATOM 811 C THR A 54 -16.006 -3.570 11.058 1.00 0.00 C ATOM 812 O THR A 54 -15.807 -3.017 12.140 1.00 0.00 O ATOM 813 CB THR A 54 -15.474 -5.808 10.074 1.00 0.00 C ATOM 814 OG1 THR A 54 -15.636 -7.204 10.244 1.00 0.00 O ATOM 815 CG2 THR A 54 -14.013 -5.485 10.307 1.00 0.00 C ATOM 0 H THR A 54 -18.232 -4.270 10.271 1.00 0.00 H new ATOM 0 HA THR A 54 -16.360 -5.460 11.998 1.00 0.00 H new ATOM 0 HB THR A 54 -15.741 -5.499 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.406 -7.376 10.826 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.398 -6.067 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.843 -4.422 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.745 -5.733 11.334 1.00 0.00 H new ATOM 823 N SER A 55 -15.886 -2.947 9.887 1.00 0.00 N ATOM 824 CA SER A 55 -15.500 -1.540 9.789 1.00 0.00 C ATOM 825 C SER A 55 -14.622 -1.304 8.566 1.00 0.00 C ATOM 826 O SER A 55 -14.478 -0.172 8.102 1.00 0.00 O ATOM 827 CB SER A 55 -14.757 -1.091 11.049 1.00 0.00 C ATOM 828 OG SER A 55 -15.661 -0.692 12.063 1.00 0.00 O ATOM 0 H SER A 55 -16.052 -3.398 8.987 1.00 0.00 H new ATOM 0 HA SER A 55 -16.412 -0.952 9.688 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.132 -1.906 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.091 -0.263 10.806 1.00 0.00 H new ATOM 0 HG SER A 55 -15.866 -1.458 12.639 1.00 0.00 H new ATOM 834 N GLU A 56 -14.031 -2.378 8.052 1.00 0.00 N ATOM 835 CA GLU A 56 -13.161 -2.290 6.886 1.00 0.00 C ATOM 836 C GLU A 56 -12.005 -1.332 7.147 1.00 0.00 C ATOM 837 O GLU A 56 -12.003 -0.600 8.136 1.00 0.00 O ATOM 838 CB GLU A 56 -13.952 -1.828 5.661 1.00 0.00 C ATOM 839 CG GLU A 56 -13.576 -2.561 4.382 1.00 0.00 C ATOM 840 CD GLU A 56 -14.780 -2.886 3.520 1.00 0.00 C ATOM 841 OE1 GLU A 56 -15.683 -2.029 3.413 1.00 0.00 O ATOM 842 OE2 GLU A 56 -14.820 -3.997 2.950 1.00 0.00 O ATOM 0 H GLU A 56 -14.139 -3.321 8.426 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.755 -3.283 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.016 -1.969 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.793 -0.759 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.878 -1.950 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.056 -3.485 4.637 1.00 0.00 H new ATOM 849 N SER A 57 -11.023 -1.344 6.255 1.00 0.00 N ATOM 850 CA SER A 57 -9.862 -0.477 6.392 1.00 0.00 C ATOM 851 C SER A 57 -9.213 -0.223 5.038 1.00 0.00 C ATOM 852 O SER A 57 -9.845 -0.388 3.994 1.00 0.00 O ATOM 853 CB SER A 57 -8.848 -1.102 7.352 1.00 0.00 C ATOM 854 OG SER A 57 -8.029 -2.047 6.685 1.00 0.00 O ATOM 0 H SER A 57 -11.008 -1.944 5.430 1.00 0.00 H new ATOM 0 HA SER A 57 -10.194 0.478 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.226 -0.320 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.373 -1.588 8.175 1.00 0.00 H new ATOM 0 HG SER A 57 -7.389 -2.431 7.320 1.00 0.00 H new ATOM 860 N THR A 58 -7.949 0.178 5.063 1.00 0.00 N ATOM 861 CA THR A 58 -7.210 0.455 3.838 1.00 0.00 C ATOM 862 C THR A 58 -5.745 0.063 3.997 1.00 0.00 C ATOM 863 O THR A 58 -5.364 -0.563 4.986 1.00 0.00 O ATOM 864 CB THR A 58 -7.320 1.937 3.472 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.588 2.719 4.623 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.406 2.226 2.457 1.00 0.00 C ATOM 0 H THR A 58 -7.413 0.319 5.919 1.00 0.00 H new ATOM 0 HA THR A 58 -7.645 -0.139 3.034 1.00 0.00 H new ATOM 0 HB THR A 58 -6.357 2.197 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.653 3.663 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.429 3.295 2.243 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.201 1.676 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.371 1.915 2.858 1.00 0.00 H new ATOM 874 N CYS A 59 -4.927 0.433 3.019 1.00 0.00 N ATOM 875 CA CYS A 59 -3.505 0.115 3.057 1.00 0.00 C ATOM 876 C CYS A 59 -2.819 0.538 1.763 1.00 0.00 C ATOM 877 O CYS A 59 -3.351 0.338 0.671 1.00 0.00 O ATOM 878 CB CYS A 59 -3.310 -1.384 3.307 1.00 0.00 C ATOM 879 SG CYS A 59 -1.958 -2.152 2.354 1.00 0.00 S ATOM 0 H CYS A 59 -5.223 0.952 2.192 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.047 0.670 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.120 -1.539 4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.240 -1.901 3.071 1.00 0.00 H new ATOM 884 N CYS A 60 -1.634 1.123 1.894 1.00 0.00 N ATOM 885 CA CYS A 60 -0.872 1.575 0.735 1.00 0.00 C ATOM 886 C CYS A 60 -0.031 0.439 0.165 1.00 0.00 C ATOM 887 O CYS A 60 1.188 0.413 0.334 1.00 0.00 O ATOM 888 CB CYS A 60 0.040 2.744 1.113 1.00 0.00 C ATOM 889 SG CYS A 60 -0.773 4.041 2.101 1.00 0.00 S ATOM 0 H CYS A 60 -1.180 1.296 2.791 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.582 1.906 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.892 2.358 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.434 3.192 0.201 1.00 0.00 H new ATOM 894 N VAL A 61 -0.688 -0.497 -0.509 1.00 0.00 N ATOM 895 CA VAL A 61 0.001 -1.634 -1.103 1.00 0.00 C ATOM 896 C VAL A 61 0.505 -1.304 -2.503 1.00 0.00 C ATOM 897 O VAL A 61 0.148 -1.973 -3.470 1.00 0.00 O ATOM 898 CB VAL A 61 -0.920 -2.863 -1.176 1.00 0.00 C ATOM 899 CG1 VAL A 61 -2.103 -2.587 -2.091 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.146 -4.087 -1.643 1.00 0.00 C ATOM 0 H VAL A 61 -1.697 -0.490 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 61 0.853 -1.861 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.303 -3.068 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.745 -3.467 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.672 -1.741 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.742 -2.355 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.816 -4.946 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.270 -3.899 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.663 -4.294 -0.943 1.00 0.00 H new ATOM 910 N ALA A 62 1.339 -0.271 -2.594 1.00 0.00 N ATOM 911 CA ALA A 62 1.910 0.163 -3.867 1.00 0.00 C ATOM 912 C ALA A 62 1.037 -0.243 -5.056 1.00 0.00 C ATOM 913 O ALA A 62 0.974 -1.416 -5.422 1.00 0.00 O ATOM 914 CB ALA A 62 3.319 -0.390 -4.024 1.00 0.00 C ATOM 0 H ALA A 62 1.637 0.286 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 62 1.952 1.252 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.735 -0.061 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.945 -0.027 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.287 -1.479 -3.999 1.00 0.00 H new ATOM 920 N LYS A 63 0.387 0.742 -5.673 1.00 0.00 N ATOM 921 CA LYS A 63 -0.457 0.497 -6.832 1.00 0.00 C ATOM 922 C LYS A 63 0.342 -0.256 -7.874 1.00 0.00 C ATOM 923 O LYS A 63 -0.151 -1.174 -8.529 1.00 0.00 O ATOM 924 CB LYS A 63 -0.946 1.824 -7.414 1.00 0.00 C ATOM 925 CG LYS A 63 -1.957 1.666 -8.537 1.00 0.00 C ATOM 926 CD LYS A 63 -3.314 1.239 -8.008 1.00 0.00 C ATOM 927 CE LYS A 63 -4.405 2.211 -8.430 1.00 0.00 C ATOM 928 NZ LYS A 63 -5.755 1.582 -8.408 1.00 0.00 N ATOM 0 H LYS A 63 0.432 1.720 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.323 -0.094 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.393 2.417 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.089 2.385 -7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.055 2.609 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.595 0.927 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.552 0.241 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.280 1.178 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.397 3.075 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.193 2.579 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.468 2.280 -8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.772 0.773 -9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.969 1.253 -7.445 1.00 0.00 H new ATOM 942 N SER A 64 1.595 0.147 -7.995 1.00 0.00 N ATOM 943 CA SER A 64 2.521 -0.469 -8.928 1.00 0.00 C ATOM 944 C SER A 64 3.908 -0.525 -8.311 1.00 0.00 C ATOM 945 O SER A 64 4.553 0.502 -8.106 1.00 0.00 O ATOM 946 CB SER A 64 2.555 0.301 -10.247 1.00 0.00 C ATOM 947 OG SER A 64 1.289 0.280 -10.883 1.00 0.00 O ATOM 0 H SER A 64 1.998 0.909 -7.450 1.00 0.00 H new ATOM 0 HA SER A 64 2.183 -1.483 -9.139 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.855 1.332 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.304 -0.136 -10.907 1.00 0.00 H new ATOM 0 HG SER A 64 1.337 0.781 -11.724 1.00 0.00 H new ATOM 953 N TYR A 65 4.345 -1.732 -7.991 1.00 0.00 N ATOM 954 CA TYR A 65 5.642 -1.940 -7.364 1.00 0.00 C ATOM 955 C TYR A 65 6.668 -2.459 -8.349 1.00 0.00 C ATOM 956 O TYR A 65 6.326 -3.143 -9.314 1.00 0.00 O ATOM 957 CB TYR A 65 5.511 -2.964 -6.239 1.00 0.00 C ATOM 958 CG TYR A 65 4.567 -4.098 -6.571 1.00 0.00 C ATOM 959 CD1 TYR A 65 3.197 -3.964 -6.390 1.00 0.00 C ATOM 960 CD2 TYR A 65 5.049 -5.302 -7.069 1.00 0.00 C ATOM 961 CE1 TYR A 65 2.334 -4.999 -6.694 1.00 0.00 C ATOM 962 CE2 TYR A 65 4.193 -6.341 -7.377 1.00 0.00 C ATOM 963 CZ TYR A 65 2.836 -6.185 -7.188 1.00 0.00 C ATOM 964 OH TYR A 65 1.978 -7.217 -7.493 1.00 0.00 O ATOM 0 H TYR A 65 3.817 -2.589 -8.156 1.00 0.00 H new ATOM 0 HA TYR A 65 5.974 -0.975 -6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.495 -3.374 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.161 -2.461 -5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.800 -3.036 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.111 -5.428 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.271 -4.880 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.584 -7.270 -7.764 1.00 0.00 H new ATOM 0 HH TYR A 65 2.491 -7.980 -7.831 1.00 0.00 H new ATOM 974 N ASN A 66 7.937 -2.188 -8.070 1.00 0.00 N ATOM 975 CA ASN A 66 9.002 -2.702 -8.916 1.00 0.00 C ATOM 976 C ASN A 66 9.947 -3.499 -8.051 1.00 0.00 C ATOM 977 O ASN A 66 11.135 -3.647 -8.333 1.00 0.00 O ATOM 978 CB ASN A 66 9.729 -1.581 -9.649 1.00 0.00 C ATOM 979 CG ASN A 66 9.787 -1.805 -11.147 1.00 0.00 C ATOM 980 OD1 ASN A 66 8.862 -2.359 -11.740 1.00 0.00 O ATOM 981 ND2 ASN A 66 10.878 -1.371 -11.765 1.00 0.00 N ATOM 0 H ASN A 66 8.249 -1.625 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 66 8.577 -3.344 -9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.228 -0.635 -9.446 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.743 -1.495 -9.259 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.975 -1.491 -12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.620 -0.917 -11.232 1.00 0.00 H new ATOM 988 N ARG A 67 9.353 -4.002 -6.988 1.00 0.00 N ATOM 989 CA ARG A 67 10.031 -4.814 -5.983 1.00 0.00 C ATOM 990 C ARG A 67 11.452 -5.147 -6.402 1.00 0.00 C ATOM 991 O ARG A 67 11.687 -5.983 -7.273 1.00 0.00 O ATOM 992 CB ARG A 67 9.239 -6.090 -5.738 1.00 0.00 C ATOM 993 CG ARG A 67 8.729 -6.697 -7.020 1.00 0.00 C ATOM 994 CD ARG A 67 8.616 -8.211 -6.927 1.00 0.00 C ATOM 995 NE ARG A 67 7.370 -8.630 -6.291 1.00 0.00 N ATOM 996 CZ ARG A 67 7.133 -9.872 -5.881 1.00 0.00 C ATOM 997 NH1 ARG A 67 8.059 -10.811 -6.028 1.00 0.00 N ATOM 998 NH2 ARG A 67 5.969 -10.175 -5.323 1.00 0.00 N ATOM 0 H ARG A 67 8.363 -3.858 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 67 10.088 -4.238 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.869 -6.813 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.397 -5.873 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.753 -6.274 -7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.399 -6.433 -7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.675 -8.641 -7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.461 -8.603 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 67 6.641 -7.930 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.955 -10.581 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.874 -11.763 -5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.256 -9.455 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.787 -11.128 -5.008 1.00 0.00 H new ATOM 1012 N VAL A 68 12.387 -4.472 -5.766 1.00 0.00 N ATOM 1013 CA VAL A 68 13.806 -4.656 -6.041 1.00 0.00 C ATOM 1014 C VAL A 68 14.496 -5.403 -4.906 1.00 0.00 C ATOM 1015 O VAL A 68 15.537 -4.972 -4.408 1.00 0.00 O ATOM 1016 CB VAL A 68 14.512 -3.300 -6.239 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.739 -2.408 -7.203 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.698 -2.597 -4.902 1.00 0.00 C ATOM 0 H VAL A 68 12.190 -3.780 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 68 13.878 -5.243 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 68 15.492 -3.495 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.263 -1.460 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.660 -2.902 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.740 -2.224 -6.807 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.198 -1.641 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.725 -2.426 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.305 -3.220 -4.245 1.00 0.00 H new ATOM 1028 N THR A 69 13.902 -6.515 -4.499 1.00 0.00 N ATOM 1029 CA THR A 69 14.437 -7.327 -3.410 1.00 0.00 C ATOM 1030 C THR A 69 15.897 -7.004 -3.114 1.00 0.00 C ATOM 1031 O THR A 69 16.775 -7.199 -3.955 1.00 0.00 O ATOM 1032 CB THR A 69 14.310 -8.814 -3.713 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.950 -9.196 -3.824 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.947 -9.670 -2.641 1.00 0.00 C ATOM 0 H THR A 69 13.042 -6.880 -4.909 1.00 0.00 H new ATOM 0 HA THR A 69 13.842 -7.083 -2.530 1.00 0.00 H new ATOM 0 HB THR A 69 14.829 -8.975 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 69 12.894 -10.155 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.832 -10.723 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.007 -9.429 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.462 -9.476 -1.684 1.00 0.00 H new ATOM 1042 N VAL A 70 16.145 -6.524 -1.904 1.00 0.00 N ATOM 1043 CA VAL A 70 17.498 -6.185 -1.472 1.00 0.00 C ATOM 1044 C VAL A 70 17.911 -6.978 -0.247 1.00 0.00 C ATOM 1045 O VAL A 70 17.250 -7.935 0.153 1.00 0.00 O ATOM 1046 CB VAL A 70 17.645 -4.695 -1.129 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.884 -4.119 -1.798 1.00 0.00 C ATOM 1048 CG2 VAL A 70 16.391 -3.923 -1.513 1.00 0.00 C ATOM 0 H VAL A 70 15.426 -6.359 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 70 18.140 -6.432 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 70 17.769 -4.596 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.976 -3.062 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.768 -4.653 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.798 -4.228 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.520 -2.871 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.218 -4.020 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.536 -4.325 -0.969 1.00 0.00 H new ATOM 1058 N MET A 71 19.019 -6.552 0.343 1.00 0.00 N ATOM 1059 CA MET A 71 19.558 -7.193 1.535 1.00 0.00 C ATOM 1060 C MET A 71 19.285 -8.691 1.504 1.00 0.00 C ATOM 1061 O MET A 71 19.376 -9.323 0.452 1.00 0.00 O ATOM 1062 CB MET A 71 18.950 -6.564 2.792 1.00 0.00 C ATOM 1063 CG MET A 71 18.225 -5.261 2.520 1.00 0.00 C ATOM 1064 SD MET A 71 18.062 -4.227 3.988 1.00 0.00 S ATOM 1065 CE MET A 71 19.750 -4.213 4.586 1.00 0.00 C ATOM 0 H MET A 71 19.567 -5.758 0.012 1.00 0.00 H new ATOM 0 HA MET A 71 20.637 -7.041 1.555 1.00 0.00 H new ATOM 0 HB2 MET A 71 18.254 -7.271 3.244 1.00 0.00 H new ATOM 0 HB3 MET A 71 19.741 -6.386 3.520 1.00 0.00 H new ATOM 0 HG2 MET A 71 18.761 -4.707 1.750 1.00 0.00 H new ATOM 0 HG3 MET A 71 17.233 -5.479 2.124 1.00 0.00 H new ATOM 0 HE1 MET A 71 19.856 -3.451 5.358 1.00 0.00 H new ATOM 0 HE2 MET A 71 19.996 -5.189 5.004 1.00 0.00 H new ATOM 0 HE3 MET A 71 20.426 -3.990 3.761 1.00 0.00 H new ATOM 1075 N GLY A 72 18.940 -9.257 2.655 1.00 0.00 N ATOM 1076 CA GLY A 72 18.652 -10.673 2.718 1.00 0.00 C ATOM 1077 C GLY A 72 17.303 -11.015 2.112 1.00 0.00 C ATOM 1078 O GLY A 72 16.746 -12.080 2.378 1.00 0.00 O ATOM 0 H GLY A 72 18.855 -8.760 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.433 -11.224 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.674 -11.000 3.758 1.00 0.00 H new ATOM 1082 N GLY A 73 16.777 -10.105 1.296 1.00 0.00 N ATOM 1083 CA GLY A 73 15.492 -10.325 0.664 1.00 0.00 C ATOM 1084 C GLY A 73 14.492 -9.240 1.008 1.00 0.00 C ATOM 1085 O GLY A 73 13.374 -9.528 1.436 1.00 0.00 O ATOM 0 H GLY A 73 17.221 -9.217 1.062 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.623 -10.366 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.097 -11.292 0.974 1.00 0.00 H new ATOM 1089 N PHE A 74 14.896 -7.985 0.826 1.00 0.00 N ATOM 1090 CA PHE A 74 14.024 -6.855 1.125 1.00 0.00 C ATOM 1091 C PHE A 74 13.262 -6.411 -0.113 1.00 0.00 C ATOM 1092 O PHE A 74 13.840 -5.865 -1.051 1.00 0.00 O ATOM 1093 CB PHE A 74 14.829 -5.688 1.687 1.00 0.00 C ATOM 1094 CG PHE A 74 15.223 -5.876 3.126 1.00 0.00 C ATOM 1095 CD1 PHE A 74 15.684 -7.104 3.575 1.00 0.00 C ATOM 1096 CD2 PHE A 74 15.131 -4.829 4.029 1.00 0.00 C ATOM 1097 CE1 PHE A 74 16.047 -7.283 4.897 1.00 0.00 C ATOM 1098 CE2 PHE A 74 15.493 -5.002 5.353 1.00 0.00 C ATOM 1099 CZ PHE A 74 15.950 -6.231 5.787 1.00 0.00 C ATOM 0 H PHE A 74 15.818 -7.727 0.474 1.00 0.00 H new ATOM 0 HA PHE A 74 13.304 -7.181 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.728 -5.553 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.243 -4.773 1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 74 15.760 -7.930 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.772 -3.866 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 74 16.406 -8.244 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.418 -4.177 6.046 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.231 -6.369 6.821 1.00 0.00 H new ATOM 1109 N LYS A 75 11.961 -6.654 -0.103 1.00 0.00 N ATOM 1110 CA LYS A 75 11.102 -6.294 -1.223 1.00 0.00 C ATOM 1111 C LYS A 75 10.436 -4.942 -1.005 1.00 0.00 C ATOM 1112 O LYS A 75 9.469 -4.822 -0.252 1.00 0.00 O ATOM 1113 CB LYS A 75 10.042 -7.374 -1.441 1.00 0.00 C ATOM 1114 CG LYS A 75 10.616 -8.781 -1.487 1.00 0.00 C ATOM 1115 CD LYS A 75 9.666 -9.753 -2.165 1.00 0.00 C ATOM 1116 CE LYS A 75 10.051 -11.195 -1.877 1.00 0.00 C ATOM 1117 NZ LYS A 75 10.546 -11.893 -3.095 1.00 0.00 N ATOM 0 H LYS A 75 11.473 -7.102 0.673 1.00 0.00 H new ATOM 0 HA LYS A 75 11.727 -6.218 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.305 -7.316 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.516 -7.173 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.566 -8.769 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.824 -9.123 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.648 -9.570 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.673 -9.581 -3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.822 -11.218 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.188 -11.728 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.798 -12.873 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.801 -11.894 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.385 -11.400 -3.461 1.00 0.00 H new ATOM 1131 N VAL A 76 10.959 -3.930 -1.685 1.00 0.00 N ATOM 1132 CA VAL A 76 10.429 -2.574 -1.600 1.00 0.00 C ATOM 1133 C VAL A 76 9.371 -2.369 -2.625 1.00 0.00 C ATOM 1134 O VAL A 76 9.004 -1.237 -2.945 1.00 0.00 O ATOM 1135 CB VAL A 76 11.529 -1.545 -1.886 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.550 -1.548 -0.770 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.167 -1.910 -3.221 1.00 0.00 C ATOM 0 H VAL A 76 11.760 -4.025 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 76 10.031 -2.444 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 76 11.114 -0.538 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.326 -0.813 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.061 -1.295 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.000 -2.538 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.956 -1.195 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.592 -2.912 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.410 -1.884 -4.005 1.00 0.00 H new ATOM 1147 N GLU A 77 8.924 -3.466 -3.169 1.00 0.00 N ATOM 1148 CA GLU A 77 7.938 -3.414 -4.225 1.00 0.00 C ATOM 1149 C GLU A 77 8.216 -2.151 -5.011 1.00 0.00 C ATOM 1150 O GLU A 77 7.310 -1.462 -5.470 1.00 0.00 O ATOM 1151 CB GLU A 77 6.526 -3.398 -3.635 1.00 0.00 C ATOM 1152 CG GLU A 77 5.663 -4.569 -4.065 1.00 0.00 C ATOM 1153 CD GLU A 77 5.604 -5.664 -3.018 1.00 0.00 C ATOM 1154 OE1 GLU A 77 5.873 -5.368 -1.834 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.289 -6.818 -3.380 1.00 0.00 O ATOM 0 H GLU A 77 9.221 -4.405 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 77 8.000 -4.290 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.598 -3.393 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.033 -2.471 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.653 -4.215 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.054 -4.981 -4.995 1.00 0.00 H new ATOM 1162 N ASN A 78 9.513 -1.851 -5.098 1.00 0.00 N ATOM 1163 CA ASN A 78 10.013 -0.652 -5.746 1.00 0.00 C ATOM 1164 C ASN A 78 8.827 0.200 -6.146 1.00 0.00 C ATOM 1165 O ASN A 78 8.530 0.391 -7.326 1.00 0.00 O ATOM 1166 CB ASN A 78 10.861 -1.009 -6.949 1.00 0.00 C ATOM 1167 CG ASN A 78 11.713 0.146 -7.401 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.730 0.465 -6.790 1.00 0.00 O ATOM 1169 ND2 ASN A 78 11.294 0.790 -8.471 1.00 0.00 N ATOM 0 H ASN A 78 10.248 -2.445 -4.714 1.00 0.00 H new ATOM 0 HA ASN A 78 10.649 -0.093 -5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.500 -1.857 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.214 -1.325 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.820 1.589 -8.824 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.443 0.489 -8.947 1.00 0.00 H new ATOM 1176 N HIS A 79 8.110 0.624 -5.126 1.00 0.00 N ATOM 1177 CA HIS A 79 6.879 1.373 -5.288 1.00 0.00 C ATOM 1178 C HIS A 79 6.911 2.411 -6.383 1.00 0.00 C ATOM 1179 O HIS A 79 7.548 3.458 -6.277 1.00 0.00 O ATOM 1180 CB HIS A 79 6.451 2.001 -3.972 1.00 0.00 C ATOM 1181 CG HIS A 79 6.159 0.962 -2.970 1.00 0.00 C ATOM 1182 ND1 HIS A 79 5.639 1.194 -1.726 1.00 0.00 N ATOM 1183 CD2 HIS A 79 6.361 -0.361 -3.063 1.00 0.00 C ATOM 1184 CE1 HIS A 79 5.554 0.013 -1.099 1.00 0.00 C ATOM 1185 NE2 HIS A 79 5.979 -0.969 -1.872 1.00 0.00 N ATOM 0 H HIS A 79 8.366 0.458 -4.153 1.00 0.00 H new ATOM 0 HA HIS A 79 6.139 0.638 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.239 2.658 -3.603 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.568 2.620 -4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.758 -0.873 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.186 -0.118 -0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.019 -1.962 -1.644 1.00 0.00 H new ATOM 1193 N THR A 80 6.154 2.113 -7.414 1.00 0.00 N ATOM 1194 CA THR A 80 6.004 3.010 -8.548 1.00 0.00 C ATOM 1195 C THR A 80 4.716 3.812 -8.381 1.00 0.00 C ATOM 1196 O THR A 80 4.514 4.840 -9.027 1.00 0.00 O ATOM 1197 CB THR A 80 5.989 2.228 -9.861 1.00 0.00 C ATOM 1198 OG1 THR A 80 4.673 2.124 -10.371 1.00 0.00 O ATOM 1199 CG2 THR A 80 6.546 0.828 -9.727 1.00 0.00 C ATOM 0 H THR A 80 5.624 1.245 -7.495 1.00 0.00 H new ATOM 0 HA THR A 80 6.853 3.693 -8.582 1.00 0.00 H new ATOM 0 HB THR A 80 6.628 2.792 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.703 1.765 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.507 0.327 -10.694 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.580 0.879 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.953 0.268 -9.004 1.00 0.00 H new ATOM 1207 N ALA A 81 3.856 3.324 -7.486 1.00 0.00 N ATOM 1208 CA ALA A 81 2.585 3.968 -7.185 1.00 0.00 C ATOM 1209 C ALA A 81 1.988 3.346 -5.926 1.00 0.00 C ATOM 1210 O ALA A 81 2.198 2.165 -5.662 1.00 0.00 O ATOM 1211 CB ALA A 81 1.630 3.839 -8.363 1.00 0.00 C ATOM 0 H ALA A 81 4.024 2.472 -6.952 1.00 0.00 H new ATOM 0 HA ALA A 81 2.751 5.031 -7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.685 4.326 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.068 4.314 -9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.451 2.784 -8.573 1.00 0.00 H new ATOM 1217 N CYS A 82 1.264 4.138 -5.140 1.00 0.00 N ATOM 1218 CA CYS A 82 0.670 3.628 -3.906 1.00 0.00 C ATOM 1219 C CYS A 82 -0.820 3.937 -3.828 1.00 0.00 C ATOM 1220 O CYS A 82 -1.241 5.078 -4.014 1.00 0.00 O ATOM 1221 CB CYS A 82 1.397 4.197 -2.687 1.00 0.00 C ATOM 1222 SG CYS A 82 2.550 3.017 -1.912 1.00 0.00 S ATOM 0 H CYS A 82 1.076 5.122 -5.331 1.00 0.00 H new ATOM 0 HA CYS A 82 0.783 2.544 -3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.948 5.088 -2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.660 4.511 -1.948 1.00 0.00 H new ATOM 1227 N HIS A 83 -1.610 2.903 -3.551 1.00 0.00 N ATOM 1228 CA HIS A 83 -3.057 3.046 -3.447 1.00 0.00 C ATOM 1229 C HIS A 83 -3.570 2.470 -2.129 1.00 0.00 C ATOM 1230 O HIS A 83 -3.326 1.306 -1.811 1.00 0.00 O ATOM 1231 CB HIS A 83 -3.740 2.344 -4.622 1.00 0.00 C ATOM 1232 CG HIS A 83 -3.722 0.850 -4.518 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -4.867 0.084 -4.452 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -2.686 -0.022 -4.471 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -4.537 -1.193 -4.367 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -3.221 -1.283 -4.377 1.00 0.00 N ATOM 0 H HIS A 83 -1.270 1.954 -3.394 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.296 4.109 -3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.774 2.683 -4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.249 2.642 -5.548 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -5.820 0.447 -4.467 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.636 0.228 -4.502 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.227 -2.021 -4.301 1.00 0.00 H new ATOM 1245 N CYS A 84 -4.281 3.294 -1.369 1.00 0.00 N ATOM 1246 CA CYS A 84 -4.832 2.872 -0.086 1.00 0.00 C ATOM 1247 C CYS A 84 -5.980 1.886 -0.282 1.00 0.00 C ATOM 1248 O CYS A 84 -7.044 2.248 -0.785 1.00 0.00 O ATOM 1249 CB CYS A 84 -5.323 4.084 0.712 1.00 0.00 C ATOM 1250 SG CYS A 84 -4.529 5.660 0.253 1.00 0.00 S ATOM 0 H CYS A 84 -4.490 4.260 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.037 2.375 0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.400 4.181 0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.151 3.900 1.772 1.00 0.00 H new ATOM 1255 N SER A 85 -5.757 0.639 0.121 1.00 0.00 N ATOM 1256 CA SER A 85 -6.775 -0.400 -0.006 1.00 0.00 C ATOM 1257 C SER A 85 -6.286 -1.719 0.585 1.00 0.00 C ATOM 1258 O SER A 85 -5.090 -2.011 0.572 1.00 0.00 O ATOM 1259 CB SER A 85 -7.156 -0.597 -1.474 1.00 0.00 C ATOM 1260 OG SER A 85 -8.525 -0.937 -1.604 1.00 0.00 O ATOM 0 H SER A 85 -4.881 0.323 0.538 1.00 0.00 H new ATOM 0 HA SER A 85 -7.655 -0.077 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.950 0.316 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.540 -1.383 -1.911 1.00 0.00 H new ATOM 0 HG SER A 85 -8.744 -1.056 -2.552 1.00 0.00 H new ATOM 1266 N THR A 86 -7.220 -2.512 1.103 1.00 0.00 N ATOM 1267 CA THR A 86 -6.882 -3.800 1.698 1.00 0.00 C ATOM 1268 C THR A 86 -5.783 -4.489 0.899 1.00 0.00 C ATOM 1269 O THR A 86 -5.834 -4.538 -0.330 1.00 0.00 O ATOM 1270 CB THR A 86 -8.117 -4.701 1.767 1.00 0.00 C ATOM 1271 OG1 THR A 86 -8.508 -5.115 0.471 1.00 0.00 O ATOM 1272 CG2 THR A 86 -9.311 -4.035 2.417 1.00 0.00 C ATOM 0 H THR A 86 -8.214 -2.285 1.122 1.00 0.00 H new ATOM 0 HA THR A 86 -6.520 -3.620 2.710 1.00 0.00 H new ATOM 0 HB THR A 86 -7.819 -5.551 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.298 -5.691 0.536 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.151 -4.729 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.057 -3.749 3.438 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.586 -3.146 1.849 1.00 0.00 H new ATOM 1280 N CYS A 87 -4.789 -5.018 1.602 1.00 0.00 N ATOM 1281 CA CYS A 87 -3.678 -5.699 0.950 1.00 0.00 C ATOM 1282 C CYS A 87 -3.475 -7.094 1.526 1.00 0.00 C ATOM 1283 O CYS A 87 -3.142 -7.252 2.700 1.00 0.00 O ATOM 1284 CB CYS A 87 -2.397 -4.879 1.094 1.00 0.00 C ATOM 1285 SG CYS A 87 -2.165 -4.135 2.741 1.00 0.00 S ATOM 0 H CYS A 87 -4.730 -4.989 2.620 1.00 0.00 H new ATOM 0 HA CYS A 87 -3.919 -5.800 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.543 -5.519 0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.401 -4.085 0.347 1.00 0.00 H new ATOM 1290 N TYR A 88 -3.681 -8.102 0.686 1.00 0.00 N ATOM 1291 CA TYR A 88 -3.524 -9.490 1.101 1.00 0.00 C ATOM 1292 C TYR A 88 -3.333 -10.396 -0.111 1.00 0.00 C ATOM 1293 O TYR A 88 -3.108 -9.921 -1.225 1.00 0.00 O ATOM 1294 CB TYR A 88 -4.747 -9.941 1.901 1.00 0.00 C ATOM 1295 CG TYR A 88 -4.947 -9.174 3.189 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -3.968 -9.167 4.175 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -6.113 -8.455 3.417 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -4.147 -8.466 5.353 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -6.300 -7.752 4.592 1.00 0.00 C ATOM 1300 CZ TYR A 88 -5.314 -7.760 5.557 1.00 0.00 C ATOM 1301 OH TYR A 88 -5.495 -7.062 6.729 1.00 0.00 O ATOM 0 H TYR A 88 -3.958 -7.983 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.638 -9.562 1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.637 -9.831 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.648 -11.002 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.052 -9.718 4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.887 -8.445 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.377 -8.471 6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.213 -7.199 4.754 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.369 -6.619 6.714 1.00 0.00 H new ATOM 1311 N TYR A 89 -3.428 -11.701 0.114 1.00 0.00 N ATOM 1312 CA TYR A 89 -3.270 -12.674 -0.959 1.00 0.00 C ATOM 1313 C TYR A 89 -3.845 -14.026 -0.552 1.00 0.00 C ATOM 1314 O TYR A 89 -4.469 -14.716 -1.358 1.00 0.00 O ATOM 1315 CB TYR A 89 -1.792 -12.821 -1.333 1.00 0.00 C ATOM 1316 CG TYR A 89 -1.064 -13.893 -0.552 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -1.179 -15.232 -0.903 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -0.260 -13.565 0.533 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -0.514 -16.215 -0.193 1.00 0.00 C ATOM 1320 CE2 TYR A 89 0.408 -14.542 1.246 1.00 0.00 C ATOM 1321 CZ TYR A 89 0.278 -15.864 0.879 1.00 0.00 C ATOM 1322 OH TYR A 89 0.941 -16.839 1.588 1.00 0.00 O ATOM 0 H TYR A 89 -3.614 -12.109 1.030 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.819 -12.313 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.718 -13.047 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.291 -11.866 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -1.797 -15.510 -1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.156 -12.530 0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.615 -17.252 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.029 -14.271 2.087 1.00 0.00 H new ATOM 0 HH TYR A 89 1.456 -16.424 2.311 1.00 0.00 H new ATOM 1332 N HIS A 90 -3.630 -14.396 0.706 1.00 0.00 N ATOM 1333 CA HIS A 90 -4.126 -15.664 1.226 1.00 0.00 C ATOM 1334 C HIS A 90 -5.520 -15.971 0.685 1.00 0.00 C ATOM 1335 O HIS A 90 -5.890 -17.133 0.519 1.00 0.00 O ATOM 1336 CB HIS A 90 -4.157 -15.631 2.755 1.00 0.00 C ATOM 1337 CG HIS A 90 -3.233 -16.619 3.395 1.00 0.00 C ATOM 1338 ND1 HIS A 90 -3.320 -17.980 3.184 1.00 0.00 N ATOM 1339 CD2 HIS A 90 -2.192 -16.439 4.243 1.00 0.00 C ATOM 1340 CE1 HIS A 90 -2.374 -18.593 3.874 1.00 0.00 C ATOM 1341 NE2 HIS A 90 -1.676 -17.680 4.523 1.00 0.00 N ATOM 0 H HIS A 90 -3.115 -13.835 1.385 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.449 -16.452 0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.895 -14.629 3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.175 -15.826 3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.835 -15.495 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.202 -19.659 3.902 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.881 -17.866 5.134 1.00 0.00 H new ATOM 1350 N LYS A 91 -6.291 -14.921 0.416 1.00 0.00 N ATOM 1351 CA LYS A 91 -7.648 -15.079 -0.101 1.00 0.00 C ATOM 1352 C LYS A 91 -7.635 -15.573 -1.548 1.00 0.00 C ATOM 1353 O LYS A 91 -7.259 -16.714 -1.817 1.00 0.00 O ATOM 1354 CB LYS A 91 -8.410 -13.755 0.005 1.00 0.00 C ATOM 1355 CG LYS A 91 -8.464 -13.202 1.419 1.00 0.00 C ATOM 1356 CD LYS A 91 -9.449 -12.050 1.532 1.00 0.00 C ATOM 1357 CE LYS A 91 -10.305 -12.172 2.782 1.00 0.00 C ATOM 1358 NZ LYS A 91 -11.696 -11.699 2.550 1.00 0.00 N ATOM 0 H LYS A 91 -6.000 -13.952 0.547 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.156 -15.830 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.939 -13.020 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.427 -13.899 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.750 -13.995 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.471 -12.863 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.905 -11.105 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.090 -12.030 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.325 -13.212 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.855 -11.593 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.247 -11.799 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.679 -10.699 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.135 -12.268 1.798 1.00 0.00 H new ATOM 1372 N SER A 92 -8.050 -14.715 -2.478 1.00 0.00 N ATOM 1373 CA SER A 92 -8.086 -15.080 -3.889 1.00 0.00 C ATOM 1374 C SER A 92 -7.337 -14.059 -4.739 1.00 0.00 C ATOM 1375 O SER A 92 -7.529 -12.846 -4.512 1.00 0.00 O ATOM 1376 CB SER A 92 -9.535 -15.194 -4.369 1.00 0.00 C ATOM 1377 OG SER A 92 -10.432 -14.637 -3.423 1.00 0.00 O ATOM 1378 OXT SER A 92 -6.565 -14.481 -5.626 1.00 0.00 O ATOM 0 H SER A 92 -8.365 -13.765 -2.279 1.00 0.00 H new ATOM 0 HA SER A 92 -7.594 -16.046 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.646 -14.682 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.784 -16.242 -4.538 1.00 0.00 H new ATOM 0 HG SER A 92 -11.350 -14.721 -3.754 1.00 0.00 H new TER 1384 SER A 92