USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 660 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 6 HIS : no HD1:sc= -9.08! C(o=-8.4!,f=-17!) USER MOD Set 1.2: A 89 TYR OH : rot 102:sc= -0.339 USER MOD Set 1.3: A 96 SER OG : rot 115:sc= 1.02 USER MOD Set 2.1: A 48 ASN : amide:sc= -4.64! K(o=-7!,f=-3) USER MOD Set 2.2: A 73 ASN : amide:sc= -2.31 K(o=-7,f=-8.5!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0392) USER MOD Set 3.2: A 17 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.52) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0593) USER MOD Single : A 11 THR OG1 : rot 90:sc= 0.98 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -115:sc= -2.93! (180deg=-5.13!) USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0.602 (180deg=-0.719!) USER MOD Single : A 42 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.073) USER MOD Single : A 43 THR OG1 : rot 31:sc= -1.77! USER MOD Single : A 47 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 49 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.04) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.395 K(o=-0.4,f=-1.1!) USER MOD Single : A 56 ASN : amide:sc= -5.95! K(o=-5.9!,f=-1.8) USER MOD Single : A 62 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 67 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.044) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 74 SER OG : rot 113:sc= 0.74 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 1.07 (180deg=0.94) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0396 (180deg=-0.249) USER MOD Single : A 85 THR OG1 : rot 9:sc= -0.889! USER MOD Single : A 87 ASN : amide:sc= -2.08 K(o=-2.1,f=-1.3) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 51:sc= 0.011 USER MOD Single : A 98 SER OG : rot 44:sc= 1.29 USER MOD Single : A 99 SER OG : rot 44:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.048 -6.450 1.506 1.00 0.00 N ATOM 27 CA ASP A 3 14.101 -6.577 2.603 1.00 0.00 C ATOM 28 C ASP A 3 13.281 -5.305 2.724 1.00 0.00 C ATOM 29 O ASP A 3 13.795 -4.255 3.107 1.00 0.00 O ATOM 30 CB ASP A 3 14.823 -6.816 3.925 1.00 0.00 C ATOM 31 CG ASP A 3 15.280 -8.238 4.134 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.386 -8.586 3.674 1.00 0.00 O ATOM 33 OD2 ASP A 3 14.542 -9.008 4.784 1.00 0.00 O ATOM 0 HA ASP A 3 13.454 -7.428 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.690 -6.157 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.160 -6.536 4.744 1.00 0.00 H new ATOM 38 N PRO A 4 12.000 -5.391 2.360 1.00 0.00 N ATOM 39 CA PRO A 4 11.065 -4.261 2.336 1.00 0.00 C ATOM 40 C PRO A 4 10.986 -3.421 3.624 1.00 0.00 C ATOM 41 O PRO A 4 10.238 -2.468 3.674 1.00 0.00 O ATOM 42 CB PRO A 4 9.708 -4.898 2.036 1.00 0.00 C ATOM 43 CG PRO A 4 9.915 -6.371 2.039 1.00 0.00 C ATOM 44 CD PRO A 4 11.373 -6.616 1.848 1.00 0.00 C ATOM 0 HA PRO A 4 11.405 -3.537 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.971 -4.610 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.328 -4.563 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.573 -6.805 2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.339 -6.841 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.707 -7.497 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.617 -6.783 0.799 1.00 0.00 H new ATOM 52 N LYS A 5 11.718 -3.764 4.666 1.00 0.00 N ATOM 53 CA LYS A 5 11.644 -3.007 5.919 1.00 0.00 C ATOM 54 C LYS A 5 12.388 -1.663 5.884 1.00 0.00 C ATOM 55 O LYS A 5 12.635 -1.075 6.935 1.00 0.00 O ATOM 56 CB LYS A 5 12.144 -3.844 7.105 1.00 0.00 C ATOM 57 CG LYS A 5 13.444 -4.611 6.851 1.00 0.00 C ATOM 58 CD LYS A 5 14.645 -3.682 6.715 1.00 0.00 C ATOM 59 CE LYS A 5 15.941 -4.448 6.482 1.00 0.00 C ATOM 60 NZ LYS A 5 16.340 -5.255 7.665 1.00 0.00 N ATOM 0 H LYS A 5 12.366 -4.551 4.680 1.00 0.00 H new ATOM 0 HA LYS A 5 10.586 -2.777 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.290 -3.184 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.367 -4.557 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.618 -5.309 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.342 -5.205 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.478 -2.994 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.739 -3.078 7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.822 -5.105 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.738 -3.745 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.290 -5.649 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.348 -4.650 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.661 -6.031 7.801 1.00 0.00 H new ATOM 74 N HIS A 6 12.758 -1.179 4.704 1.00 0.00 N ATOM 75 CA HIS A 6 13.600 0.021 4.619 1.00 0.00 C ATOM 76 C HIS A 6 12.864 1.307 5.024 1.00 0.00 C ATOM 77 O HIS A 6 13.503 2.335 5.232 1.00 0.00 O ATOM 78 CB HIS A 6 14.255 0.210 3.235 1.00 0.00 C ATOM 79 CG HIS A 6 13.651 -0.492 2.067 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.436 -1.848 1.965 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.244 0.033 0.911 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.911 -2.107 0.774 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.786 -0.981 0.122 1.00 0.00 N ATOM 0 H HIS A 6 12.497 -1.585 3.806 1.00 0.00 H new ATOM 0 HA HIS A 6 14.393 -0.159 5.345 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.263 1.277 3.014 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.295 -0.108 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.272 1.079 0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.634 -3.084 0.406 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.409 -0.878 -0.820 1.00 0.00 H new ATOM 92 N VAL A 7 11.533 1.213 5.152 1.00 0.00 N ATOM 93 CA VAL A 7 10.620 2.338 5.486 1.00 0.00 C ATOM 94 C VAL A 7 10.769 3.570 4.570 1.00 0.00 C ATOM 95 O VAL A 7 11.782 3.776 3.903 1.00 0.00 O ATOM 96 CB VAL A 7 10.693 2.770 6.964 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.718 1.548 7.869 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.866 3.703 7.226 1.00 0.00 C ATOM 0 H VAL A 7 11.038 0.330 5.024 1.00 0.00 H new ATOM 0 HA VAL A 7 9.631 1.917 5.303 1.00 0.00 H new ATOM 0 HB VAL A 7 9.794 3.341 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.770 1.867 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.812 0.962 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.590 0.938 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.880 3.983 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.797 3.197 6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.762 4.599 6.614 1.00 0.00 H new ATOM 108 N CYS A 8 9.726 4.380 4.541 1.00 0.00 N ATOM 109 CA CYS A 8 9.575 5.423 3.554 1.00 0.00 C ATOM 110 C CYS A 8 9.601 6.807 4.186 1.00 0.00 C ATOM 111 O CYS A 8 9.241 6.972 5.352 1.00 0.00 O ATOM 112 CB CYS A 8 8.232 5.191 2.882 1.00 0.00 C ATOM 113 SG CYS A 8 6.789 5.426 3.981 1.00 0.00 S ATOM 0 H CYS A 8 8.957 4.329 5.209 1.00 0.00 H new ATOM 0 HA CYS A 8 10.400 5.386 2.843 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.142 5.869 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.209 4.177 2.483 1.00 0.00 H new ATOM 118 N VAL A 9 10.017 7.787 3.394 1.00 0.00 N ATOM 119 CA VAL A 9 9.935 9.188 3.737 1.00 0.00 C ATOM 120 C VAL A 9 9.981 9.993 2.441 1.00 0.00 C ATOM 121 O VAL A 9 11.043 10.194 1.850 1.00 0.00 O ATOM 122 CB VAL A 9 11.124 9.632 4.615 1.00 0.00 C ATOM 123 CG1 VAL A 9 10.913 9.260 6.072 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.415 9.016 4.098 1.00 0.00 C ATOM 0 H VAL A 9 10.429 7.619 2.476 1.00 0.00 H new ATOM 0 HA VAL A 9 9.013 9.354 4.294 1.00 0.00 H new ATOM 0 HB VAL A 9 11.194 10.718 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.770 9.589 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.011 9.745 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.806 8.179 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.247 9.336 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.336 7.929 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.588 9.341 3.072 1.00 0.00 H new ATOM 134 N ASP A 10 8.834 10.437 1.992 1.00 0.00 N ATOM 135 CA ASP A 10 8.756 11.290 0.823 1.00 0.00 C ATOM 136 C ASP A 10 7.887 12.493 1.101 1.00 0.00 C ATOM 137 O ASP A 10 7.182 12.529 2.111 1.00 0.00 O ATOM 138 CB ASP A 10 8.227 10.498 -0.373 1.00 0.00 C ATOM 139 CG ASP A 10 8.012 11.339 -1.625 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.006 11.859 -2.180 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.845 11.506 -2.047 1.00 0.00 O ATOM 0 H ASP A 10 7.933 10.222 2.419 1.00 0.00 H new ATOM 0 HA ASP A 10 9.757 11.648 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.927 9.695 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.283 10.028 -0.096 1.00 0.00 H new ATOM 146 N THR A 11 7.938 13.464 0.203 1.00 0.00 N ATOM 147 CA THR A 11 6.901 14.458 0.099 1.00 0.00 C ATOM 148 C THR A 11 6.775 15.341 1.352 1.00 0.00 C ATOM 149 O THR A 11 7.403 15.081 2.379 1.00 0.00 O ATOM 150 CB THR A 11 5.617 13.682 -0.265 1.00 0.00 C ATOM 151 OG1 THR A 11 5.361 13.780 -1.665 1.00 0.00 O ATOM 152 CG2 THR A 11 4.403 14.085 0.527 1.00 0.00 C ATOM 0 H THR A 11 8.698 13.578 -0.467 1.00 0.00 H new ATOM 0 HA THR A 11 7.131 15.192 -0.673 1.00 0.00 H new ATOM 0 HB THR A 11 5.808 12.644 0.006 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.801 13.038 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.547 13.491 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.588 13.915 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.194 15.142 0.360 1.00 0.00 H new ATOM 160 N ARG A 12 6.012 16.419 1.252 1.00 0.00 N ATOM 161 CA ARG A 12 5.838 17.314 2.381 1.00 0.00 C ATOM 162 C ARG A 12 4.927 16.655 3.404 1.00 0.00 C ATOM 163 O ARG A 12 5.182 16.694 4.609 1.00 0.00 O ATOM 164 CB ARG A 12 5.232 18.645 1.947 1.00 0.00 C ATOM 165 CG ARG A 12 5.583 19.080 0.530 1.00 0.00 C ATOM 166 CD ARG A 12 7.083 19.099 0.276 1.00 0.00 C ATOM 167 NE ARG A 12 7.404 19.848 -0.937 1.00 0.00 N ATOM 168 CZ ARG A 12 7.995 19.335 -2.015 1.00 0.00 C ATOM 169 NH1 ARG A 12 8.351 18.058 -2.049 1.00 0.00 N ATOM 170 NH2 ARG A 12 8.227 20.107 -3.064 1.00 0.00 N ATOM 0 H ARG A 12 5.508 16.692 0.408 1.00 0.00 H new ATOM 0 HA ARG A 12 6.817 17.513 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.147 18.578 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.559 19.420 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.107 18.405 -0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.175 20.074 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.593 19.547 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.452 18.077 0.184 1.00 0.00 H new ATOM 0 HE ARG A 12 7.157 20.837 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.173 17.457 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.803 17.676 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.954 21.090 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.679 19.720 -3.892 1.00 0.00 H new ATOM 184 N ASP A 13 3.873 16.037 2.894 1.00 0.00 N ATOM 185 CA ASP A 13 2.890 15.355 3.721 1.00 0.00 C ATOM 186 C ASP A 13 2.146 14.313 2.894 1.00 0.00 C ATOM 187 O ASP A 13 1.236 14.652 2.131 1.00 0.00 O ATOM 188 CB ASP A 13 1.900 16.367 4.299 1.00 0.00 C ATOM 189 CG ASP A 13 0.937 15.756 5.303 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.118 15.236 4.890 1.00 0.00 O ATOM 191 OD2 ASP A 13 1.222 15.818 6.516 1.00 0.00 O ATOM 0 H ASP A 13 3.675 15.994 1.894 1.00 0.00 H new ATOM 0 HA ASP A 13 3.404 14.855 4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.454 17.173 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.330 16.814 3.484 1.00 0.00 H new ATOM 196 N ILE A 14 2.576 13.060 2.997 1.00 0.00 N ATOM 197 CA ILE A 14 1.877 11.952 2.352 1.00 0.00 C ATOM 198 C ILE A 14 0.491 11.841 2.947 1.00 0.00 C ATOM 199 O ILE A 14 0.324 11.933 4.165 1.00 0.00 O ATOM 200 CB ILE A 14 2.660 10.624 2.501 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.968 10.734 1.727 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.858 9.422 2.013 1.00 0.00 C ATOM 203 CD1 ILE A 14 5.171 10.340 2.533 1.00 0.00 C ATOM 0 H ILE A 14 3.406 12.785 3.522 1.00 0.00 H new ATOM 0 HA ILE A 14 1.799 12.149 1.283 1.00 0.00 H new ATOM 0 HB ILE A 14 2.858 10.462 3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.911 10.103 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.092 11.760 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.449 8.515 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.939 9.339 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.612 9.552 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.068 10.442 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.252 10.987 3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.068 9.304 2.857 1.00 0.00 H new ATOM 215 N PRO A 15 -0.516 11.666 2.087 1.00 0.00 N ATOM 216 CA PRO A 15 -1.922 11.754 2.478 1.00 0.00 C ATOM 217 C PRO A 15 -2.286 10.840 3.633 1.00 0.00 C ATOM 218 O PRO A 15 -1.691 9.780 3.818 1.00 0.00 O ATOM 219 CB PRO A 15 -2.647 11.298 1.216 1.00 0.00 C ATOM 220 CG PRO A 15 -1.727 11.655 0.120 1.00 0.00 C ATOM 221 CD PRO A 15 -0.375 11.335 0.655 1.00 0.00 C ATOM 0 HA PRO A 15 -2.178 12.755 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.845 10.226 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.609 11.798 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.943 11.083 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.811 12.710 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.115 10.287 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.403 11.929 0.175 1.00 0.00 H new ATOM 229 N LYS A 16 -3.253 11.263 4.422 1.00 0.00 N ATOM 230 CA LYS A 16 -3.886 10.368 5.346 1.00 0.00 C ATOM 231 C LYS A 16 -4.585 9.313 4.524 1.00 0.00 C ATOM 232 O LYS A 16 -4.972 9.585 3.385 1.00 0.00 O ATOM 233 CB LYS A 16 -4.882 11.119 6.203 1.00 0.00 C ATOM 234 CG LYS A 16 -5.490 10.291 7.314 1.00 0.00 C ATOM 235 CD LYS A 16 -6.497 11.110 8.088 1.00 0.00 C ATOM 236 CE LYS A 16 -7.932 10.694 7.785 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.269 9.347 8.329 1.00 0.00 N ATOM 0 H LYS A 16 -3.611 12.218 4.436 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.155 9.915 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.387 11.986 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.682 11.496 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.974 9.408 6.896 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.706 9.938 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.307 11.002 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.368 12.165 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.616 11.432 8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.086 10.694 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.297 9.199 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.785 8.616 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.961 9.286 9.320 1.00 0.00 H new ATOM 251 N ASN A 17 -4.735 8.123 5.079 1.00 0.00 N ATOM 252 CA ASN A 17 -5.282 6.988 4.336 1.00 0.00 C ATOM 253 C ASN A 17 -4.303 6.600 3.228 1.00 0.00 C ATOM 254 O ASN A 17 -4.616 5.784 2.359 1.00 0.00 O ATOM 255 CB ASN A 17 -6.654 7.309 3.708 1.00 0.00 C ATOM 256 CG ASN A 17 -7.584 8.100 4.605 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.355 7.547 5.386 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.502 9.409 4.481 1.00 0.00 N ATOM 0 H ASN A 17 -4.486 7.912 6.045 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.423 6.166 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.496 7.868 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.142 6.374 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.096 10.013 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.845 9.818 3.817 1.00 0.00 H new ATOM 265 N ALA A 18 -3.123 7.216 3.249 1.00 0.00 N ATOM 266 CA ALA A 18 -2.072 6.907 2.296 1.00 0.00 C ATOM 267 C ALA A 18 -0.778 6.548 3.002 1.00 0.00 C ATOM 268 O ALA A 18 -0.553 6.916 4.154 1.00 0.00 O ATOM 269 CB ALA A 18 -1.819 8.074 1.353 1.00 0.00 C ATOM 0 H ALA A 18 -2.874 7.938 3.925 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.413 6.049 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.027 7.810 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.731 8.300 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.517 8.949 1.929 1.00 0.00 H new ATOM 275 N GLY A 19 0.053 5.815 2.294 1.00 0.00 N ATOM 276 CA GLY A 19 1.367 5.480 2.788 1.00 0.00 C ATOM 277 C GLY A 19 2.414 5.605 1.713 1.00 0.00 C ATOM 278 O GLY A 19 2.094 5.621 0.532 1.00 0.00 O ATOM 0 H GLY A 19 -0.161 5.439 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.621 6.135 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.362 4.461 3.174 1.00 0.00 H new ATOM 282 N CYS A 20 3.657 5.670 2.126 1.00 0.00 N ATOM 283 CA CYS A 20 4.759 5.949 1.242 1.00 0.00 C ATOM 284 C CYS A 20 5.672 4.763 1.137 1.00 0.00 C ATOM 285 O CYS A 20 5.637 3.867 1.978 1.00 0.00 O ATOM 286 CB CYS A 20 5.512 7.193 1.712 1.00 0.00 C ATOM 287 SG CYS A 20 6.000 7.240 3.488 1.00 0.00 S ATOM 0 H CYS A 20 3.933 5.529 3.098 1.00 0.00 H new ATOM 0 HA CYS A 20 4.366 6.148 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.414 7.294 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.891 8.065 1.506 1.00 0.00 H new ATOM 292 N PHE A 21 6.385 4.691 0.041 1.00 0.00 N ATOM 293 CA PHE A 21 7.406 3.693 -0.098 1.00 0.00 C ATOM 294 C PHE A 21 8.695 4.303 -0.608 1.00 0.00 C ATOM 295 O PHE A 21 8.748 4.871 -1.696 1.00 0.00 O ATOM 296 CB PHE A 21 6.942 2.571 -1.010 1.00 0.00 C ATOM 297 CG PHE A 21 7.836 1.356 -0.951 1.00 0.00 C ATOM 298 CD1 PHE A 21 9.169 1.532 -0.780 1.00 0.00 C ATOM 299 CD2 PHE A 21 7.346 0.070 -0.982 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.030 0.488 -0.623 1.00 0.00 C ATOM 301 CE2 PHE A 21 8.202 -1.010 -0.846 1.00 0.00 C ATOM 302 CZ PHE A 21 9.561 -0.786 -0.656 1.00 0.00 C ATOM 0 H PHE A 21 6.275 5.310 -0.762 1.00 0.00 H new ATOM 0 HA PHE A 21 7.601 3.271 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.927 2.283 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.902 2.937 -2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.563 2.537 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.287 -0.098 -1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.083 0.673 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.817 -2.018 -0.887 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.238 -1.619 -0.536 1.00 0.00 H new ATOM 312 N ARG A 22 9.748 4.090 0.168 1.00 0.00 N ATOM 313 CA ARG A 22 11.068 4.549 -0.189 1.00 0.00 C ATOM 314 C ARG A 22 11.968 3.350 -0.322 1.00 0.00 C ATOM 315 O ARG A 22 12.336 2.736 0.675 1.00 0.00 O ATOM 316 CB ARG A 22 11.624 5.500 0.862 1.00 0.00 C ATOM 317 CG ARG A 22 12.955 6.081 0.463 1.00 0.00 C ATOM 318 CD ARG A 22 13.237 7.387 1.153 1.00 0.00 C ATOM 319 NE ARG A 22 13.768 8.339 0.196 1.00 0.00 N ATOM 320 CZ ARG A 22 14.664 9.281 0.495 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.160 9.366 1.721 1.00 0.00 N ATOM 322 NH2 ARG A 22 15.074 10.131 -0.437 1.00 0.00 N ATOM 0 H ARG A 22 9.704 3.595 1.059 1.00 0.00 H new ATOM 0 HA ARG A 22 11.015 5.093 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.913 6.309 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.731 4.969 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.746 5.369 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.975 6.231 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.323 7.778 1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.950 7.235 1.964 1.00 0.00 H new ATOM 0 HE ARG A 22 13.435 8.285 -0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.857 8.710 2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.845 10.088 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.704 10.065 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.759 10.850 -0.205 1.00 0.00 H new ATOM 336 N ASP A 23 12.302 2.987 -1.543 1.00 0.00 N ATOM 337 CA ASP A 23 13.058 1.765 -1.743 1.00 0.00 C ATOM 338 C ASP A 23 14.544 2.027 -1.551 1.00 0.00 C ATOM 339 O ASP A 23 14.939 3.150 -1.245 1.00 0.00 O ATOM 340 CB ASP A 23 12.791 1.094 -3.090 1.00 0.00 C ATOM 341 CG ASP A 23 13.161 -0.381 -3.049 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.377 -1.179 -2.490 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.263 -0.737 -3.511 1.00 0.00 O ATOM 0 H ASP A 23 12.071 3.503 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 23 12.713 1.060 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.738 1.201 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.365 1.595 -3.870 1.00 0.00 H new ATOM 348 N ASP A 24 15.351 1.003 -1.731 1.00 0.00 N ATOM 349 CA ASP A 24 16.782 1.072 -1.465 1.00 0.00 C ATOM 350 C ASP A 24 17.463 2.213 -2.225 1.00 0.00 C ATOM 351 O ASP A 24 18.380 2.853 -1.711 1.00 0.00 O ATOM 352 CB ASP A 24 17.402 -0.267 -1.830 1.00 0.00 C ATOM 353 CG ASP A 24 18.917 -0.253 -1.812 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.502 -0.164 -0.714 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.525 -0.346 -2.901 1.00 0.00 O ATOM 0 H ASP A 24 15.037 0.093 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 24 16.931 1.283 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 24 17.045 -1.026 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.060 -0.559 -2.823 1.00 0.00 H new ATOM 360 N ASP A 25 16.984 2.495 -3.432 1.00 0.00 N ATOM 361 CA ASP A 25 17.570 3.543 -4.270 1.00 0.00 C ATOM 362 C ASP A 25 17.160 4.940 -3.805 1.00 0.00 C ATOM 363 O ASP A 25 17.544 5.940 -4.412 1.00 0.00 O ATOM 364 CB ASP A 25 17.141 3.361 -5.727 1.00 0.00 C ATOM 365 CG ASP A 25 17.620 2.059 -6.326 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.812 1.963 -6.682 1.00 0.00 O ATOM 367 OD2 ASP A 25 16.800 1.128 -6.460 1.00 0.00 O ATOM 0 H ASP A 25 16.191 2.014 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 25 18.653 3.452 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.054 3.404 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 25 17.526 4.191 -6.320 1.00 0.00 H new ATOM 372 N GLY A 26 16.365 5.008 -2.744 1.00 0.00 N ATOM 373 CA GLY A 26 15.852 6.283 -2.274 1.00 0.00 C ATOM 374 C GLY A 26 14.575 6.660 -2.993 1.00 0.00 C ATOM 375 O GLY A 26 13.911 7.636 -2.641 1.00 0.00 O ATOM 0 H GLY A 26 16.065 4.200 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.666 6.229 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.602 7.059 -2.429 1.00 0.00 H new ATOM 379 N THR A 27 14.247 5.868 -4.004 1.00 0.00 N ATOM 380 CA THR A 27 13.043 6.044 -4.799 1.00 0.00 C ATOM 381 C THR A 27 11.807 6.074 -3.926 1.00 0.00 C ATOM 382 O THR A 27 11.665 5.247 -3.027 1.00 0.00 O ATOM 383 CB THR A 27 12.911 4.881 -5.780 1.00 0.00 C ATOM 384 OG1 THR A 27 14.192 4.587 -6.352 1.00 0.00 O ATOM 385 CG2 THR A 27 11.914 5.189 -6.887 1.00 0.00 C ATOM 0 H THR A 27 14.818 5.075 -4.298 1.00 0.00 H new ATOM 0 HA THR A 27 13.125 6.993 -5.329 1.00 0.00 H new ATOM 0 HB THR A 27 12.541 4.017 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.106 3.839 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.848 4.338 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.934 5.382 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.245 6.068 -7.440 1.00 0.00 H new ATOM 393 N GLU A 28 10.912 7.007 -4.203 1.00 0.00 N ATOM 394 CA GLU A 28 9.770 7.193 -3.349 1.00 0.00 C ATOM 395 C GLU A 28 8.455 7.347 -4.088 1.00 0.00 C ATOM 396 O GLU A 28 8.353 8.015 -5.122 1.00 0.00 O ATOM 397 CB GLU A 28 10.024 8.345 -2.410 1.00 0.00 C ATOM 398 CG GLU A 28 10.412 7.809 -1.067 1.00 0.00 C ATOM 399 CD GLU A 28 9.194 7.481 -0.223 1.00 0.00 C ATOM 400 OE1 GLU A 28 8.078 7.383 -0.779 1.00 0.00 O ATOM 401 OE2 GLU A 28 9.347 7.319 0.993 1.00 0.00 O ATOM 0 H GLU A 28 10.959 7.636 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 28 9.651 6.273 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.816 8.982 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.131 8.963 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.019 6.913 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.029 8.541 -0.547 1.00 0.00 H new ATOM 408 N GLU A 29 7.454 6.705 -3.518 1.00 0.00 N ATOM 409 CA GLU A 29 6.126 6.617 -4.090 1.00 0.00 C ATOM 410 C GLU A 29 5.136 6.470 -2.971 1.00 0.00 C ATOM 411 O GLU A 29 5.299 5.607 -2.117 1.00 0.00 O ATOM 412 CB GLU A 29 6.006 5.413 -5.033 1.00 0.00 C ATOM 413 CG GLU A 29 4.573 5.063 -5.417 1.00 0.00 C ATOM 414 CD GLU A 29 4.499 4.054 -6.543 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.834 2.877 -6.318 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.095 4.435 -7.663 1.00 0.00 O ATOM 0 H GLU A 29 7.544 6.220 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 29 5.929 7.520 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.574 5.618 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.466 4.546 -4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.054 4.666 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.049 5.971 -5.714 1.00 0.00 H new ATOM 423 N TRP A 30 4.114 7.280 -2.948 1.00 0.00 N ATOM 424 CA TRP A 30 3.090 7.063 -1.972 1.00 0.00 C ATOM 425 C TRP A 30 1.848 6.505 -2.648 1.00 0.00 C ATOM 426 O TRP A 30 1.598 6.729 -3.837 1.00 0.00 O ATOM 427 CB TRP A 30 2.808 8.315 -1.129 1.00 0.00 C ATOM 428 CG TRP A 30 2.253 9.487 -1.859 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.903 10.642 -2.169 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.920 9.633 -2.333 1.00 0.00 C ATOM 431 NE1 TRP A 30 2.045 11.506 -2.805 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.821 10.905 -2.918 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.202 8.807 -2.314 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.359 11.369 -3.480 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.371 9.270 -2.879 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.441 10.543 -3.450 1.00 0.00 C ATOM 0 H TRP A 30 3.971 8.072 -3.574 1.00 0.00 H new ATOM 0 HA TRP A 30 3.443 6.320 -1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.111 8.044 -0.336 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.737 8.620 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.940 10.849 -1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.281 12.441 -3.138 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.157 7.825 -1.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.418 12.351 -3.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.247 8.638 -2.880 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.374 10.879 -3.877 1.00 0.00 H new ATOM 447 N ARG A 31 1.105 5.750 -1.880 1.00 0.00 N ATOM 448 CA ARG A 31 -0.043 5.010 -2.361 1.00 0.00 C ATOM 449 C ARG A 31 -1.186 5.172 -1.393 1.00 0.00 C ATOM 450 O ARG A 31 -1.048 5.815 -0.362 1.00 0.00 O ATOM 451 CB ARG A 31 0.250 3.524 -2.495 1.00 0.00 C ATOM 452 CG ARG A 31 1.220 3.145 -3.593 1.00 0.00 C ATOM 453 CD ARG A 31 1.034 1.683 -3.956 1.00 0.00 C ATOM 454 NE ARG A 31 2.240 1.075 -4.506 1.00 0.00 N ATOM 455 CZ ARG A 31 2.395 0.753 -5.787 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.507 1.155 -6.688 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.453 0.049 -6.174 1.00 0.00 N ATOM 0 H ARG A 31 1.281 5.627 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.295 5.408 -3.344 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.645 3.163 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.690 3.001 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.055 3.771 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.244 3.321 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.727 1.130 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.226 1.594 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 31 3.013 0.885 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.703 1.712 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.628 0.907 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.148 -0.246 -5.488 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.570 -0.197 -7.157 1.00 0.00 H new ATOM 471 N CYS A 32 -2.285 4.531 -1.704 1.00 0.00 N ATOM 472 CA CYS A 32 -3.487 4.635 -0.905 1.00 0.00 C ATOM 473 C CYS A 32 -3.737 3.304 -0.245 1.00 0.00 C ATOM 474 O CYS A 32 -3.713 2.261 -0.897 1.00 0.00 O ATOM 475 CB CYS A 32 -4.680 4.995 -1.789 1.00 0.00 C ATOM 476 SG CYS A 32 -4.442 6.530 -2.726 1.00 0.00 S ATOM 0 H CYS A 32 -2.375 3.922 -2.517 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.361 5.415 -0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.867 4.178 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.569 5.092 -1.166 1.00 0.00 H new ATOM 481 N LEU A 33 -3.943 3.365 1.066 1.00 0.00 N ATOM 482 CA LEU A 33 -3.981 2.185 1.910 1.00 0.00 C ATOM 483 C LEU A 33 -5.033 1.185 1.442 1.00 0.00 C ATOM 484 O LEU A 33 -5.877 1.481 0.596 1.00 0.00 O ATOM 485 CB LEU A 33 -4.244 2.582 3.364 1.00 0.00 C ATOM 486 CG LEU A 33 -3.293 3.619 3.963 1.00 0.00 C ATOM 487 CD1 LEU A 33 -3.451 3.676 5.471 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.851 3.350 3.579 1.00 0.00 C ATOM 0 H LEU A 33 -4.088 4.239 1.571 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.008 1.699 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.261 2.968 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.201 1.682 3.978 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.560 4.591 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.767 4.419 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.476 3.951 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.224 2.699 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.208 4.109 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.555 2.366 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.751 3.382 2.494 1.00 0.00 H new ATOM 500 N LEU A 34 -4.972 0.007 2.019 1.00 0.00 N ATOM 501 CA LEU A 34 -5.756 -1.116 1.579 1.00 0.00 C ATOM 502 C LEU A 34 -7.242 -0.881 1.778 1.00 0.00 C ATOM 503 O LEU A 34 -7.692 -0.518 2.862 1.00 0.00 O ATOM 504 CB LEU A 34 -5.281 -2.352 2.322 1.00 0.00 C ATOM 505 CG LEU A 34 -3.772 -2.547 2.253 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.357 -3.841 2.919 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.312 -2.502 0.810 1.00 0.00 C ATOM 0 H LEU A 34 -4.369 -0.197 2.816 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.616 -1.257 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.585 -2.280 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.774 -3.231 1.906 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.291 -1.734 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.275 -3.953 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.658 -3.824 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.839 -4.680 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.232 -2.642 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.803 -3.295 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.570 -1.536 0.376 1.00 0.00 H new ATOM 519 N GLY A 35 -7.992 -1.071 0.703 1.00 0.00 N ATOM 520 CA GLY A 35 -9.416 -0.848 0.745 1.00 0.00 C ATOM 521 C GLY A 35 -9.766 0.602 0.497 1.00 0.00 C ATOM 522 O GLY A 35 -10.919 1.015 0.660 1.00 0.00 O ATOM 0 H GLY A 35 -7.634 -1.378 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.904 -1.473 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.803 -1.154 1.717 1.00 0.00 H new ATOM 526 N TYR A 36 -8.759 1.379 0.123 1.00 0.00 N ATOM 527 CA TYR A 36 -8.922 2.798 -0.146 1.00 0.00 C ATOM 528 C TYR A 36 -8.662 3.090 -1.593 1.00 0.00 C ATOM 529 O TYR A 36 -8.461 2.183 -2.403 1.00 0.00 O ATOM 530 CB TYR A 36 -7.962 3.634 0.690 1.00 0.00 C ATOM 531 CG TYR A 36 -8.099 3.469 2.185 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.017 2.595 2.761 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.287 4.197 3.019 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.110 2.456 4.130 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.370 4.065 4.391 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.281 3.196 4.941 1.00 0.00 C ATOM 537 OH TYR A 36 -8.358 3.059 6.308 1.00 0.00 O ATOM 0 H TYR A 36 -7.805 1.041 -0.002 1.00 0.00 H new ATOM 0 HA TYR A 36 -9.948 3.059 0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.941 3.380 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.110 4.685 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.668 2.015 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.571 4.885 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.827 1.773 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.720 4.644 5.031 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.704 3.652 6.734 1.00 0.00 H new ATOM 547 N LYS A 37 -8.671 4.366 -1.911 1.00 0.00 N ATOM 548 CA LYS A 37 -8.580 4.789 -3.272 1.00 0.00 C ATOM 549 C LYS A 37 -8.166 6.250 -3.365 1.00 0.00 C ATOM 550 O LYS A 37 -8.071 6.938 -2.353 1.00 0.00 O ATOM 551 CB LYS A 37 -9.918 4.535 -3.961 1.00 0.00 C ATOM 552 CG LYS A 37 -11.107 5.356 -3.557 1.00 0.00 C ATOM 553 CD LYS A 37 -11.238 5.575 -2.134 1.00 0.00 C ATOM 554 CE LYS A 37 -12.394 6.522 -1.892 1.00 0.00 C ATOM 555 NZ LYS A 37 -13.670 6.058 -2.507 1.00 0.00 N ATOM 0 H LYS A 37 -8.741 5.125 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.807 4.213 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.769 4.674 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.174 3.486 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.049 6.324 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.010 4.865 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.411 4.629 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.316 5.993 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.538 6.643 -0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.141 7.504 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.958 6.724 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.533 5.114 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.410 6.013 -1.778 1.00 0.00 H new ATOM 569 N LYS A 38 -7.910 6.702 -4.577 1.00 0.00 N ATOM 570 CA LYS A 38 -7.401 8.046 -4.805 1.00 0.00 C ATOM 571 C LYS A 38 -8.547 9.036 -4.959 1.00 0.00 C ATOM 572 O LYS A 38 -9.496 8.787 -5.699 1.00 0.00 O ATOM 573 CB LYS A 38 -6.526 8.065 -6.057 1.00 0.00 C ATOM 574 CG LYS A 38 -5.606 9.266 -6.128 1.00 0.00 C ATOM 575 CD LYS A 38 -4.507 9.186 -5.085 1.00 0.00 C ATOM 576 CE LYS A 38 -3.297 8.415 -5.595 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.522 6.945 -5.647 1.00 0.00 N ATOM 0 H LYS A 38 -8.047 6.155 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.803 8.340 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.927 7.155 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.166 8.054 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.162 9.328 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.184 10.178 -5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.202 10.193 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.893 8.704 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.039 8.773 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.443 8.623 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.617 6.450 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.183 6.668 -4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.924 6.688 -6.571 1.00 0.00 H new ATOM 591 N GLY A 39 -8.450 10.154 -4.250 1.00 0.00 N ATOM 592 CA GLY A 39 -9.500 11.144 -4.279 1.00 0.00 C ATOM 593 C GLY A 39 -9.200 12.291 -5.221 1.00 0.00 C ATOM 594 O GLY A 39 -9.177 12.116 -6.439 1.00 0.00 O ATOM 0 H GLY A 39 -7.657 10.390 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.433 10.668 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.651 11.536 -3.273 1.00 0.00 H new ATOM 598 N GLU A 40 -8.938 13.461 -4.653 1.00 0.00 N ATOM 599 CA GLU A 40 -8.714 14.678 -5.428 1.00 0.00 C ATOM 600 C GLU A 40 -7.277 14.760 -5.953 1.00 0.00 C ATOM 601 O GLU A 40 -6.560 15.728 -5.702 1.00 0.00 O ATOM 602 CB GLU A 40 -9.033 15.909 -4.567 1.00 0.00 C ATOM 603 CG GLU A 40 -8.229 15.982 -3.278 1.00 0.00 C ATOM 604 CD GLU A 40 -8.563 17.204 -2.453 1.00 0.00 C ATOM 605 OE1 GLU A 40 -7.951 18.265 -2.683 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.445 17.111 -1.577 1.00 0.00 O ATOM 0 H GLU A 40 -8.874 13.595 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.379 14.653 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.845 16.809 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.095 15.904 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.416 15.086 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.166 15.989 -3.517 1.00 0.00 H new ATOM 613 N GLY A 41 -6.860 13.746 -6.688 1.00 0.00 N ATOM 614 CA GLY A 41 -5.539 13.766 -7.281 1.00 0.00 C ATOM 615 C GLY A 41 -4.473 13.189 -6.370 1.00 0.00 C ATOM 616 O GLY A 41 -4.103 12.026 -6.499 1.00 0.00 O ATOM 0 H GLY A 41 -7.409 12.910 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.557 13.202 -8.214 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.276 14.793 -7.534 1.00 0.00 H new ATOM 620 N ASN A 42 -3.985 13.994 -5.437 1.00 0.00 N ATOM 621 CA ASN A 42 -2.909 13.561 -4.549 1.00 0.00 C ATOM 622 C ASN A 42 -3.437 13.250 -3.156 1.00 0.00 C ATOM 623 O ASN A 42 -2.813 13.576 -2.151 1.00 0.00 O ATOM 624 CB ASN A 42 -1.789 14.615 -4.477 1.00 0.00 C ATOM 625 CG ASN A 42 -2.260 15.961 -3.956 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.727 16.807 -4.718 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.128 16.176 -2.656 1.00 0.00 N ATOM 0 H ASN A 42 -4.313 14.946 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.489 12.646 -4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.992 14.244 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.361 14.748 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.418 17.068 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.736 15.450 -2.056 1.00 0.00 H new ATOM 634 N THR A 43 -4.574 12.586 -3.104 1.00 0.00 N ATOM 635 CA THR A 43 -5.180 12.236 -1.833 1.00 0.00 C ATOM 636 C THR A 43 -5.677 10.812 -1.829 1.00 0.00 C ATOM 637 O THR A 43 -6.153 10.309 -2.843 1.00 0.00 O ATOM 638 CB THR A 43 -6.349 13.157 -1.494 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.144 13.364 -2.657 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.842 14.479 -0.965 1.00 0.00 C ATOM 0 H THR A 43 -5.097 12.278 -3.924 1.00 0.00 H new ATOM 0 HA THR A 43 -4.398 12.351 -1.082 1.00 0.00 H new ATOM 0 HB THR A 43 -6.958 12.689 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.106 12.567 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.688 15.124 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.252 14.308 -0.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.220 14.959 -1.721 1.00 0.00 H new ATOM 648 N CYS A 44 -5.576 10.169 -0.689 1.00 0.00 N ATOM 649 CA CYS A 44 -6.106 8.836 -0.535 1.00 0.00 C ATOM 650 C CYS A 44 -7.259 8.854 0.437 1.00 0.00 C ATOM 651 O CYS A 44 -7.194 9.483 1.492 1.00 0.00 O ATOM 652 CB CYS A 44 -5.015 7.881 -0.094 1.00 0.00 C ATOM 653 SG CYS A 44 -3.675 7.765 -1.317 1.00 0.00 S ATOM 0 H CYS A 44 -5.131 10.549 0.146 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.480 8.482 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.607 8.213 0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.443 6.892 0.069 1.00 0.00 H new ATOM 658 N VAL A 45 -8.322 8.188 0.053 1.00 0.00 N ATOM 659 CA VAL A 45 -9.553 8.219 0.786 1.00 0.00 C ATOM 660 C VAL A 45 -10.088 6.816 0.935 1.00 0.00 C ATOM 661 O VAL A 45 -9.654 5.910 0.235 1.00 0.00 O ATOM 662 CB VAL A 45 -10.573 9.108 0.051 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.317 10.566 0.387 1.00 0.00 C ATOM 664 CG2 VAL A 45 -10.471 8.904 -1.461 1.00 0.00 C ATOM 0 H VAL A 45 -8.351 7.606 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.377 8.636 1.778 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.576 8.829 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.041 11.192 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.417 10.715 1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.309 10.840 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.199 9.540 -1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.467 9.166 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.673 7.860 -1.702 1.00 0.00 H new ATOM 674 N GLU A 46 -11.015 6.633 1.848 1.00 0.00 N ATOM 675 CA GLU A 46 -11.556 5.318 2.122 1.00 0.00 C ATOM 676 C GLU A 46 -12.541 4.891 1.046 1.00 0.00 C ATOM 677 O GLU A 46 -13.584 5.514 0.863 1.00 0.00 O ATOM 678 CB GLU A 46 -12.238 5.322 3.476 1.00 0.00 C ATOM 679 CG GLU A 46 -11.284 5.147 4.639 1.00 0.00 C ATOM 680 CD GLU A 46 -12.010 5.022 5.958 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.876 4.129 6.081 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.725 5.819 6.876 1.00 0.00 O ATOM 0 H GLU A 46 -11.412 7.381 2.416 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.733 4.603 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.778 6.261 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.979 4.523 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.674 4.258 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.603 5.997 4.680 1.00 0.00 H new ATOM 689 N ASN A 47 -12.204 3.818 0.339 1.00 0.00 N ATOM 690 CA ASN A 47 -13.006 3.351 -0.790 1.00 0.00 C ATOM 691 C ASN A 47 -14.268 2.658 -0.297 1.00 0.00 C ATOM 692 O ASN A 47 -15.359 2.932 -0.792 1.00 0.00 O ATOM 693 CB ASN A 47 -12.151 2.433 -1.688 1.00 0.00 C ATOM 694 CG ASN A 47 -12.867 1.806 -2.862 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.090 1.744 -2.931 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.077 1.284 -3.776 1.00 0.00 N ATOM 0 H ASN A 47 -11.377 3.252 0.528 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.325 4.203 -1.390 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.308 3.011 -2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.738 1.635 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.477 0.804 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.064 1.359 -3.678 1.00 0.00 H new ATOM 703 N ASN A 48 -14.106 1.755 0.671 1.00 0.00 N ATOM 704 CA ASN A 48 -15.239 1.096 1.348 1.00 0.00 C ATOM 705 C ASN A 48 -15.935 0.079 0.447 1.00 0.00 C ATOM 706 O ASN A 48 -16.636 -0.810 0.927 1.00 0.00 O ATOM 707 CB ASN A 48 -16.240 2.128 1.890 1.00 0.00 C ATOM 708 CG ASN A 48 -15.752 2.784 3.172 1.00 0.00 C ATOM 709 OD1 ASN A 48 -16.545 3.238 3.998 1.00 0.00 O ATOM 710 ND2 ASN A 48 -14.438 2.835 3.354 1.00 0.00 N ATOM 0 H ASN A 48 -13.192 1.456 1.011 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.827 0.547 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.413 2.895 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.197 1.641 2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.056 3.260 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.810 2.449 2.649 1.00 0.00 H new ATOM 717 N ASN A 49 -15.716 0.202 -0.853 1.00 0.00 N ATOM 718 CA ASN A 49 -16.127 -0.810 -1.818 1.00 0.00 C ATOM 719 C ASN A 49 -14.934 -1.157 -2.726 1.00 0.00 C ATOM 720 O ASN A 49 -15.002 -1.036 -3.948 1.00 0.00 O ATOM 721 CB ASN A 49 -17.303 -0.281 -2.643 1.00 0.00 C ATOM 722 CG ASN A 49 -17.974 -1.342 -3.507 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.814 -2.108 -3.030 1.00 0.00 O ATOM 724 ND2 ASN A 49 -17.635 -1.377 -4.788 1.00 0.00 N ATOM 0 H ASN A 49 -15.248 1.006 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.448 -1.714 -1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.044 0.147 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.951 0.527 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.073 -2.053 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.936 -0.728 -5.148 1.00 0.00 H new ATOM 731 N PRO A 50 -13.795 -1.545 -2.123 1.00 0.00 N ATOM 732 CA PRO A 50 -12.586 -1.873 -2.858 1.00 0.00 C ATOM 733 C PRO A 50 -12.707 -3.176 -3.628 1.00 0.00 C ATOM 734 O PRO A 50 -13.196 -4.181 -3.115 1.00 0.00 O ATOM 735 CB PRO A 50 -11.505 -1.982 -1.786 1.00 0.00 C ATOM 736 CG PRO A 50 -12.217 -2.163 -0.500 1.00 0.00 C ATOM 737 CD PRO A 50 -13.611 -1.667 -0.682 1.00 0.00 C ATOM 0 HA PRO A 50 -12.367 -1.117 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.842 -2.824 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.885 -1.086 -1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.219 -3.213 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.716 -1.612 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.334 -2.360 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.754 -0.707 -0.185 1.00 0.00 H new ATOM 745 N THR A 51 -12.261 -3.138 -4.864 1.00 0.00 N ATOM 746 CA THR A 51 -12.272 -4.300 -5.725 1.00 0.00 C ATOM 747 C THR A 51 -10.842 -4.643 -6.111 1.00 0.00 C ATOM 748 O THR A 51 -9.985 -3.755 -6.169 1.00 0.00 O ATOM 749 CB THR A 51 -13.113 -4.053 -6.998 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.261 -5.270 -7.739 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.478 -2.985 -7.887 1.00 0.00 C ATOM 0 H THR A 51 -11.880 -2.299 -5.301 1.00 0.00 H new ATOM 0 HA THR A 51 -12.726 -5.129 -5.183 1.00 0.00 H new ATOM 0 HB THR A 51 -14.094 -3.698 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.797 -5.101 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.095 -2.836 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.404 -2.048 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.482 -3.308 -8.188 1.00 0.00 H new ATOM 759 N CYS A 52 -10.566 -5.909 -6.366 1.00 0.00 N ATOM 760 CA CYS A 52 -9.252 -6.271 -6.838 1.00 0.00 C ATOM 761 C CYS A 52 -9.267 -6.076 -8.338 1.00 0.00 C ATOM 762 O CYS A 52 -10.139 -6.610 -9.029 1.00 0.00 O ATOM 763 CB CYS A 52 -8.935 -7.728 -6.491 1.00 0.00 C ATOM 764 SG CYS A 52 -7.165 -8.153 -6.585 1.00 0.00 S ATOM 0 H CYS A 52 -11.220 -6.684 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.485 -5.656 -6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.293 -7.935 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.489 -8.379 -7.167 1.00 0.00 H new ATOM 769 N ASP A 53 -8.266 -5.351 -8.816 1.00 0.00 N ATOM 770 CA ASP A 53 -8.242 -4.780 -10.165 1.00 0.00 C ATOM 771 C ASP A 53 -7.507 -3.461 -10.096 1.00 0.00 C ATOM 772 O ASP A 53 -6.615 -3.174 -10.890 1.00 0.00 O ATOM 773 CB ASP A 53 -9.642 -4.494 -10.715 1.00 0.00 C ATOM 774 CG ASP A 53 -9.607 -4.072 -12.167 1.00 0.00 C ATOM 775 OD1 ASP A 53 -8.945 -4.761 -12.973 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.246 -3.054 -12.510 1.00 0.00 O ATOM 0 H ASP A 53 -7.431 -5.136 -8.272 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.761 -5.505 -10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.261 -5.385 -10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.111 -3.710 -10.121 1.00 0.00 H new ATOM 781 N ILE A 54 -7.901 -2.657 -9.115 1.00 0.00 N ATOM 782 CA ILE A 54 -7.307 -1.355 -8.914 1.00 0.00 C ATOM 783 C ILE A 54 -6.024 -1.503 -8.147 1.00 0.00 C ATOM 784 O ILE A 54 -6.040 -1.514 -6.917 1.00 0.00 O ATOM 785 CB ILE A 54 -8.220 -0.422 -8.113 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.619 -0.385 -8.734 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.588 0.965 -8.044 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.639 0.353 -7.895 1.00 0.00 C ATOM 0 H ILE A 54 -8.634 -2.893 -8.446 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.138 -0.924 -9.901 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.331 -0.795 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.559 0.087 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.963 -1.407 -8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.235 1.632 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.616 0.898 -7.555 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.461 1.357 -9.053 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.605 0.337 -8.399 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.729 -0.131 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.318 1.386 -7.758 1.00 0.00 H new ATOM 800 N ASN A 55 -4.930 -1.639 -8.864 1.00 0.00 N ATOM 801 CA ASN A 55 -3.638 -1.822 -8.236 1.00 0.00 C ATOM 802 C ASN A 55 -3.701 -3.004 -7.286 1.00 0.00 C ATOM 803 O ASN A 55 -3.262 -2.918 -6.144 1.00 0.00 O ATOM 804 CB ASN A 55 -3.236 -0.564 -7.472 1.00 0.00 C ATOM 805 CG ASN A 55 -1.749 -0.542 -7.179 1.00 0.00 C ATOM 806 OD1 ASN A 55 -0.938 -0.975 -7.998 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.374 -0.061 -6.009 1.00 0.00 N ATOM 0 H ASN A 55 -4.908 -1.626 -9.884 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.892 -2.014 -9.007 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.506 0.318 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.793 -0.512 -6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.385 -0.040 -5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.073 0.290 -5.354 1.00 0.00 H new ATOM 814 N ASN A 56 -4.314 -4.094 -7.748 1.00 0.00 N ATOM 815 CA ASN A 56 -4.423 -5.321 -6.959 1.00 0.00 C ATOM 816 C ASN A 56 -5.289 -5.053 -5.734 1.00 0.00 C ATOM 817 O ASN A 56 -5.088 -5.635 -4.687 1.00 0.00 O ATOM 818 CB ASN A 56 -3.040 -5.825 -6.499 1.00 0.00 C ATOM 819 CG ASN A 56 -1.927 -5.487 -7.449 1.00 0.00 C ATOM 820 OD1 ASN A 56 -2.034 -5.652 -8.665 1.00 0.00 O ATOM 821 ND2 ASN A 56 -0.860 -4.971 -6.894 1.00 0.00 N ATOM 0 H ASN A 56 -4.745 -4.152 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.873 -6.089 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.814 -5.398 -5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.081 -6.907 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.071 -4.686 -7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.818 -4.854 -5.882 1.00 0.00 H new ATOM 828 N GLY A 57 -6.233 -4.133 -5.867 1.00 0.00 N ATOM 829 CA GLY A 57 -7.110 -3.804 -4.757 1.00 0.00 C ATOM 830 C GLY A 57 -6.529 -2.739 -3.846 1.00 0.00 C ATOM 831 O GLY A 57 -7.157 -2.342 -2.861 1.00 0.00 O ATOM 0 H GLY A 57 -6.409 -3.607 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.068 -3.460 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.307 -4.705 -4.176 1.00 0.00 H new ATOM 835 N GLY A 58 -5.343 -2.259 -4.185 1.00 0.00 N ATOM 836 CA GLY A 58 -4.657 -1.314 -3.332 1.00 0.00 C ATOM 837 C GLY A 58 -3.352 -1.876 -2.800 1.00 0.00 C ATOM 838 O GLY A 58 -2.743 -1.320 -1.892 1.00 0.00 O ATOM 0 H GLY A 58 -4.843 -2.508 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.458 -0.399 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.303 -1.043 -2.497 1.00 0.00 H new ATOM 842 N CYS A 59 -2.917 -2.960 -3.412 1.00 0.00 N ATOM 843 CA CYS A 59 -1.734 -3.692 -2.999 1.00 0.00 C ATOM 844 C CYS A 59 -0.614 -3.447 -3.980 1.00 0.00 C ATOM 845 O CYS A 59 -0.753 -2.703 -4.948 1.00 0.00 O ATOM 846 CB CYS A 59 -2.007 -5.196 -2.965 1.00 0.00 C ATOM 847 SG CYS A 59 -3.627 -5.678 -2.287 1.00 0.00 S ATOM 0 H CYS A 59 -3.383 -3.364 -4.224 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.459 -3.346 -2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.925 -5.586 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.227 -5.677 -2.375 1.00 0.00 H new ATOM 852 N ASP A 60 0.486 -4.095 -3.726 1.00 0.00 N ATOM 853 CA ASP A 60 1.611 -4.058 -4.622 1.00 0.00 C ATOM 854 C ASP A 60 1.542 -5.329 -5.418 1.00 0.00 C ATOM 855 O ASP A 60 1.068 -6.329 -4.916 1.00 0.00 O ATOM 856 CB ASP A 60 2.892 -4.034 -3.810 1.00 0.00 C ATOM 857 CG ASP A 60 4.119 -3.730 -4.647 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.444 -2.537 -4.830 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.760 -4.690 -5.124 1.00 0.00 O ATOM 0 H ASP A 60 0.631 -4.665 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 60 1.594 -3.179 -5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.802 -3.286 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.023 -4.999 -3.320 1.00 0.00 H new ATOM 864 N PRO A 61 1.890 -5.279 -6.706 1.00 0.00 N ATOM 865 CA PRO A 61 1.739 -6.429 -7.595 1.00 0.00 C ATOM 866 C PRO A 61 2.458 -7.666 -7.072 1.00 0.00 C ATOM 867 O PRO A 61 2.187 -8.789 -7.503 1.00 0.00 O ATOM 868 CB PRO A 61 2.368 -5.966 -8.908 1.00 0.00 C ATOM 869 CG PRO A 61 2.401 -4.479 -8.850 1.00 0.00 C ATOM 870 CD PRO A 61 2.412 -4.092 -7.399 1.00 0.00 C ATOM 0 HA PRO A 61 0.694 -6.723 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.372 -6.374 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.784 -6.310 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.285 -4.094 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.533 -4.055 -9.355 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.418 -3.843 -7.061 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.788 -3.217 -7.215 1.00 0.00 H new ATOM 878 N THR A 62 3.381 -7.442 -6.151 1.00 0.00 N ATOM 879 CA THR A 62 4.109 -8.514 -5.504 1.00 0.00 C ATOM 880 C THR A 62 3.336 -9.002 -4.280 1.00 0.00 C ATOM 881 O THR A 62 3.522 -10.120 -3.806 1.00 0.00 O ATOM 882 CB THR A 62 5.511 -8.023 -5.102 1.00 0.00 C ATOM 883 OG1 THR A 62 5.416 -7.020 -4.078 1.00 0.00 O ATOM 884 CG2 THR A 62 6.202 -7.424 -6.315 1.00 0.00 C ATOM 0 H THR A 62 3.645 -6.510 -5.833 1.00 0.00 H new ATOM 0 HA THR A 62 4.219 -9.348 -6.198 1.00 0.00 H new ATOM 0 HB THR A 62 6.083 -8.870 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.252 -6.146 -4.490 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.195 -7.075 -6.033 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.291 -8.181 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.616 -6.585 -6.690 1.00 0.00 H new ATOM 892 N ALA A 63 2.453 -8.145 -3.792 1.00 0.00 N ATOM 893 CA ALA A 63 1.522 -8.499 -2.740 1.00 0.00 C ATOM 894 C ALA A 63 0.287 -9.156 -3.347 1.00 0.00 C ATOM 895 O ALA A 63 -0.538 -8.488 -3.970 1.00 0.00 O ATOM 896 CB ALA A 63 1.129 -7.261 -1.944 1.00 0.00 C ATOM 0 H ALA A 63 2.364 -7.182 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 63 2.001 -9.205 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.429 -7.542 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.019 -6.818 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.657 -6.536 -2.608 1.00 0.00 H new ATOM 902 N SER A 64 0.182 -10.464 -3.172 1.00 0.00 N ATOM 903 CA SER A 64 -0.924 -11.233 -3.723 1.00 0.00 C ATOM 904 C SER A 64 -2.251 -10.689 -3.212 1.00 0.00 C ATOM 905 O SER A 64 -2.488 -10.656 -2.004 1.00 0.00 O ATOM 906 CB SER A 64 -0.777 -12.707 -3.337 1.00 0.00 C ATOM 907 OG SER A 64 -1.764 -13.509 -3.969 1.00 0.00 O ATOM 0 H SER A 64 0.857 -11.020 -2.647 1.00 0.00 H new ATOM 0 HA SER A 64 -0.906 -11.146 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.215 -13.061 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.859 -12.811 -2.255 1.00 0.00 H new ATOM 0 HG SER A 64 -1.643 -14.445 -3.705 1.00 0.00 H new ATOM 913 N CYS A 65 -3.099 -10.247 -4.130 1.00 0.00 N ATOM 914 CA CYS A 65 -4.385 -9.675 -3.759 1.00 0.00 C ATOM 915 C CYS A 65 -5.480 -10.716 -3.743 1.00 0.00 C ATOM 916 O CYS A 65 -5.601 -11.548 -4.646 1.00 0.00 O ATOM 917 CB CYS A 65 -4.796 -8.558 -4.712 1.00 0.00 C ATOM 918 SG CYS A 65 -6.575 -8.143 -4.643 1.00 0.00 S ATOM 0 H CYS A 65 -2.920 -10.273 -5.134 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.257 -9.271 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.215 -7.665 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.540 -8.850 -5.731 1.00 0.00 H new ATOM 923 N GLN A 66 -6.269 -10.636 -2.698 1.00 0.00 N ATOM 924 CA GLN A 66 -7.489 -11.400 -2.561 1.00 0.00 C ATOM 925 C GLN A 66 -8.600 -10.406 -2.301 1.00 0.00 C ATOM 926 O GLN A 66 -8.390 -9.438 -1.569 1.00 0.00 O ATOM 927 CB GLN A 66 -7.385 -12.361 -1.379 1.00 0.00 C ATOM 928 CG GLN A 66 -5.970 -12.820 -1.109 1.00 0.00 C ATOM 929 CD GLN A 66 -5.586 -14.065 -1.887 1.00 0.00 C ATOM 930 OE1 GLN A 66 -6.097 -14.316 -2.980 1.00 0.00 O ATOM 931 NE2 GLN A 66 -4.688 -14.858 -1.330 1.00 0.00 N ATOM 0 H GLN A 66 -6.078 -10.026 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.677 -11.987 -3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.779 -11.874 -0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.013 -13.232 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.280 -12.015 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.856 -13.016 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.287 -14.617 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.396 -15.711 -1.806 1.00 0.00 H new ATOM 940 N ASN A 67 -9.761 -10.599 -2.885 1.00 0.00 N ATOM 941 CA ASN A 67 -10.840 -9.666 -2.632 1.00 0.00 C ATOM 942 C ASN A 67 -11.833 -10.214 -1.650 1.00 0.00 C ATOM 943 O ASN A 67 -12.196 -11.393 -1.671 1.00 0.00 O ATOM 944 CB ASN A 67 -11.547 -9.205 -3.899 1.00 0.00 C ATOM 945 CG ASN A 67 -11.881 -10.328 -4.853 1.00 0.00 C ATOM 946 OD1 ASN A 67 -12.952 -10.927 -4.775 1.00 0.00 O ATOM 947 ND2 ASN A 67 -10.968 -10.613 -5.765 1.00 0.00 N ATOM 0 H ASN A 67 -9.981 -11.367 -3.519 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.366 -8.788 -2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.467 -8.689 -3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.916 -8.480 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.138 -11.357 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.093 -10.089 -5.792 1.00 0.00 H new ATOM 954 N ALA A 68 -12.239 -9.323 -0.786 1.00 0.00 N ATOM 955 CA ALA A 68 -13.179 -9.601 0.267 1.00 0.00 C ATOM 956 C ALA A 68 -13.907 -8.325 0.591 1.00 0.00 C ATOM 957 O ALA A 68 -13.568 -7.257 0.080 1.00 0.00 O ATOM 958 CB ALA A 68 -12.465 -10.110 1.512 1.00 0.00 C ATOM 0 H ALA A 68 -11.916 -8.356 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.875 -10.373 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.197 -10.313 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.926 -11.027 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.761 -9.355 1.862 1.00 0.00 H new ATOM 964 N GLU A 69 -14.903 -8.428 1.422 1.00 0.00 N ATOM 965 CA GLU A 69 -15.525 -7.256 1.969 1.00 0.00 C ATOM 966 C GLU A 69 -15.817 -7.465 3.428 1.00 0.00 C ATOM 967 O GLU A 69 -16.934 -7.765 3.847 1.00 0.00 O ATOM 968 CB GLU A 69 -16.745 -6.859 1.187 1.00 0.00 C ATOM 969 CG GLU A 69 -17.684 -7.999 0.970 1.00 0.00 C ATOM 970 CD GLU A 69 -18.858 -7.631 0.093 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.760 -6.908 0.563 1.00 0.00 O ATOM 972 OE2 GLU A 69 -18.877 -8.050 -1.083 1.00 0.00 O ATOM 0 H GLU A 69 -15.303 -9.312 1.736 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.832 -6.419 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.266 -6.060 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.438 -6.457 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.142 -8.828 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -18.052 -8.349 1.934 1.00 0.00 H new ATOM 979 N SER A 70 -14.767 -7.298 4.189 1.00 0.00 N ATOM 980 CA SER A 70 -14.803 -7.540 5.612 1.00 0.00 C ATOM 981 C SER A 70 -15.374 -6.327 6.320 1.00 0.00 C ATOM 982 O SER A 70 -15.610 -5.299 5.681 1.00 0.00 O ATOM 983 CB SER A 70 -13.398 -7.838 6.147 1.00 0.00 C ATOM 984 OG SER A 70 -13.452 -8.381 7.457 1.00 0.00 O ATOM 0 H SER A 70 -13.859 -6.990 3.841 1.00 0.00 H new ATOM 0 HA SER A 70 -15.436 -8.407 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.893 -8.538 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.807 -6.922 6.154 1.00 0.00 H new ATOM 0 HG SER A 70 -12.543 -8.563 7.773 1.00 0.00 H new ATOM 990 N THR A 71 -15.580 -6.428 7.622 1.00 0.00 N ATOM 991 CA THR A 71 -16.056 -5.301 8.404 1.00 0.00 C ATOM 992 C THR A 71 -15.127 -4.105 8.231 1.00 0.00 C ATOM 993 O THR A 71 -15.570 -2.960 8.135 1.00 0.00 O ATOM 994 CB THR A 71 -16.140 -5.666 9.896 1.00 0.00 C ATOM 995 OG1 THR A 71 -16.575 -7.025 10.041 1.00 0.00 O ATOM 996 CG2 THR A 71 -17.097 -4.740 10.631 1.00 0.00 C ATOM 0 H THR A 71 -15.425 -7.280 8.160 1.00 0.00 H new ATOM 0 HA THR A 71 -17.052 -5.043 8.045 1.00 0.00 H new ATOM 0 HB THR A 71 -15.148 -5.551 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.625 -7.253 10.993 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.138 -5.020 11.684 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.748 -3.711 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.092 -4.824 10.194 1.00 0.00 H new ATOM 1004 N GLU A 72 -13.835 -4.382 8.161 1.00 0.00 N ATOM 1005 CA GLU A 72 -12.860 -3.328 7.985 1.00 0.00 C ATOM 1006 C GLU A 72 -12.541 -3.181 6.517 1.00 0.00 C ATOM 1007 O GLU A 72 -12.376 -4.167 5.802 1.00 0.00 O ATOM 1008 CB GLU A 72 -11.584 -3.621 8.760 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.838 -4.048 10.190 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.591 -4.000 11.045 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -10.277 -2.911 11.578 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -9.928 -5.050 11.190 1.00 0.00 O ATOM 0 H GLU A 72 -13.443 -5.322 8.223 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.283 -2.400 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -11.027 -4.405 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.954 -2.731 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.599 -3.402 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.239 -5.062 10.196 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.477 -1.941 6.075 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.219 -1.624 4.681 1.00 0.00 C ATOM 1021 C ASN A 73 -10.802 -2.007 4.301 1.00 0.00 C ATOM 1022 O ASN A 73 -10.531 -2.325 3.147 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.467 -0.136 4.431 1.00 0.00 C ATOM 1024 CG ASN A 73 -13.785 0.325 5.013 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -14.835 0.148 4.404 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -13.736 0.948 6.177 1.00 0.00 N ATOM 0 H ASN A 73 -12.602 -1.123 6.671 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.901 -2.200 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.655 0.445 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.457 0.058 3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.593 1.303 6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.841 1.074 6.651 1.00 0.00 H new ATOM 1033 N SER A 74 -9.907 -1.992 5.280 1.00 0.00 N ATOM 1034 CA SER A 74 -8.539 -2.434 5.060 1.00 0.00 C ATOM 1035 C SER A 74 -8.475 -3.959 5.083 1.00 0.00 C ATOM 1036 O SER A 74 -7.562 -4.567 4.531 1.00 0.00 O ATOM 1037 CB SER A 74 -7.605 -1.832 6.117 1.00 0.00 C ATOM 1038 OG SER A 74 -6.256 -2.202 5.890 1.00 0.00 O ATOM 0 H SER A 74 -10.104 -1.679 6.231 1.00 0.00 H new ATOM 0 HA SER A 74 -8.208 -2.088 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.692 -0.746 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.913 -2.165 7.108 1.00 0.00 H new ATOM 0 HG SER A 74 -5.736 -1.409 5.643 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.470 -4.572 5.711 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.566 -6.025 5.764 1.00 0.00 C ATOM 1046 C LYS A 75 -10.340 -6.564 4.566 1.00 0.00 C ATOM 1047 O LYS A 75 -10.618 -7.758 4.487 1.00 0.00 O ATOM 1048 CB LYS A 75 -10.260 -6.457 7.055 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.408 -6.307 8.299 1.00 0.00 C ATOM 1050 CD LYS A 75 -8.527 -7.525 8.512 1.00 0.00 C ATOM 1051 CE LYS A 75 -9.359 -8.796 8.577 1.00 0.00 C ATOM 1052 NZ LYS A 75 -8.554 -9.981 8.971 1.00 0.00 N ATOM 0 H LYS A 75 -10.225 -4.083 6.193 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.555 -6.432 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.170 -5.870 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.563 -7.500 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.786 -5.416 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.050 -6.163 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.803 -7.601 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.959 -7.410 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.172 -8.659 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.816 -8.978 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.166 -10.822 9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.794 -10.130 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.138 -9.821 9.911 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.705 -5.684 3.645 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.444 -6.099 2.465 1.00 0.00 C ATOM 1068 C LYS A 76 -10.500 -6.630 1.410 1.00 0.00 C ATOM 1069 O LYS A 76 -10.686 -7.716 0.885 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.257 -4.959 1.891 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.312 -4.428 2.843 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.214 -3.437 2.140 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.976 -2.542 3.103 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.875 -3.299 4.013 1.00 0.00 N ATOM 0 H LYS A 76 -10.503 -4.685 3.692 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.129 -6.890 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.585 -4.146 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.742 -5.295 0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.906 -5.254 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.832 -3.949 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.614 -2.817 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.925 -3.980 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.265 -1.969 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.566 -1.824 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.316 -2.644 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.616 -3.771 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.324 -4.013 4.531 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.484 -5.857 1.101 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.500 -6.287 0.135 1.00 0.00 C ATOM 1090 C ILE A 77 -7.323 -6.903 0.851 1.00 0.00 C ATOM 1091 O ILE A 77 -6.644 -6.253 1.644 1.00 0.00 O ATOM 1092 CB ILE A 77 -8.023 -5.128 -0.755 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.208 -4.534 -1.514 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.948 -5.594 -1.721 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.923 -5.537 -2.392 1.00 0.00 C ATOM 0 H ILE A 77 -9.318 -4.934 1.501 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.970 -7.026 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.589 -4.357 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.917 -4.119 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.857 -3.707 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.627 -4.756 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.096 -5.978 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.348 -6.383 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.753 -5.048 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.227 -5.935 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.304 -6.352 -1.777 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.115 -8.168 0.584 1.00 0.00 N ATOM 1108 CA ILE A 78 -6.049 -8.914 1.209 1.00 0.00 C ATOM 1109 C ILE A 78 -4.784 -8.805 0.382 1.00 0.00 C ATOM 1110 O ILE A 78 -4.703 -9.334 -0.724 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.407 -10.402 1.388 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.686 -10.575 2.216 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.254 -11.148 2.037 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.960 -10.314 1.436 1.00 0.00 C ATOM 0 H ILE A 78 -7.678 -8.710 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.893 -8.482 2.198 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.590 -10.822 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.716 -11.589 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.649 -9.899 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.522 -12.198 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.369 -11.069 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.043 -10.713 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.822 -10.456 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.954 -9.291 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.022 -11.007 0.597 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.815 -8.098 0.920 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.532 -7.939 0.262 1.00 0.00 C ATOM 1128 C CYS A 79 -1.476 -8.769 0.982 1.00 0.00 C ATOM 1129 O CYS A 79 -1.179 -8.541 2.154 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.140 -6.468 0.243 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.482 -5.369 -0.292 1.00 0.00 S ATOM 0 H CYS A 79 -3.890 -7.620 1.818 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.606 -8.290 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.816 -6.173 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.286 -6.336 -0.421 1.00 0.00 H new ATOM 1136 N THR A 80 -0.926 -9.737 0.277 1.00 0.00 N ATOM 1137 CA THR A 80 0.003 -10.680 0.867 1.00 0.00 C ATOM 1138 C THR A 80 1.359 -10.640 0.179 1.00 0.00 C ATOM 1139 O THR A 80 1.497 -11.060 -0.967 1.00 0.00 O ATOM 1140 CB THR A 80 -0.565 -12.108 0.788 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.759 -12.202 1.580 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.457 -13.133 1.256 1.00 0.00 C ATOM 0 H THR A 80 -1.109 -9.892 -0.714 1.00 0.00 H new ATOM 0 HA THR A 80 0.139 -10.393 1.910 1.00 0.00 H new ATOM 0 HB THR A 80 -0.804 -12.324 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.117 -13.112 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.027 -14.132 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.344 -13.076 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.733 -12.926 2.290 1.00 0.00 H new ATOM 1150 N CYS A 81 2.360 -10.151 0.889 1.00 0.00 N ATOM 1151 CA CYS A 81 3.714 -10.128 0.362 1.00 0.00 C ATOM 1152 C CYS A 81 4.360 -11.495 0.611 1.00 0.00 C ATOM 1153 O CYS A 81 4.167 -12.095 1.672 1.00 0.00 O ATOM 1154 CB CYS A 81 4.538 -9.018 1.030 1.00 0.00 C ATOM 1155 SG CYS A 81 3.665 -7.426 1.214 1.00 0.00 S ATOM 0 H CYS A 81 2.262 -9.766 1.828 1.00 0.00 H new ATOM 0 HA CYS A 81 3.684 -9.922 -0.708 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.852 -9.361 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.444 -8.855 0.446 1.00 0.00 H new ATOM 1160 N LYS A 82 5.101 -11.993 -0.373 1.00 0.00 N ATOM 1161 CA LYS A 82 5.703 -13.327 -0.303 1.00 0.00 C ATOM 1162 C LYS A 82 6.938 -13.343 0.595 1.00 0.00 C ATOM 1163 O LYS A 82 7.297 -12.339 1.204 1.00 0.00 O ATOM 1164 CB LYS A 82 6.072 -13.844 -1.703 1.00 0.00 C ATOM 1165 CG LYS A 82 4.887 -14.187 -2.600 1.00 0.00 C ATOM 1166 CD LYS A 82 4.185 -12.943 -3.116 1.00 0.00 C ATOM 1167 CE LYS A 82 3.079 -13.286 -4.100 1.00 0.00 C ATOM 1168 NZ LYS A 82 3.604 -13.936 -5.332 1.00 0.00 N ATOM 0 H LYS A 82 5.303 -11.490 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 82 4.954 -13.989 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.680 -13.090 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.693 -14.733 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.232 -14.785 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.177 -14.800 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.766 -12.388 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.912 -12.290 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.360 -13.950 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.542 -12.377 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.866 -13.937 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.433 -13.410 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.880 -14.915 -5.117 1.00 0.00 H new ATOM 1182 N GLU A 83 7.587 -14.493 0.663 1.00 0.00 N ATOM 1183 CA GLU A 83 8.747 -14.677 1.529 1.00 0.00 C ATOM 1184 C GLU A 83 10.021 -13.913 1.089 1.00 0.00 C ATOM 1185 O GLU A 83 10.847 -13.604 1.949 1.00 0.00 O ATOM 1186 CB GLU A 83 9.037 -16.163 1.707 1.00 0.00 C ATOM 1187 CG GLU A 83 7.895 -16.896 2.377 1.00 0.00 C ATOM 1188 CD GLU A 83 8.308 -18.223 2.969 1.00 0.00 C ATOM 1189 OE1 GLU A 83 9.295 -18.261 3.731 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.628 -19.235 2.698 1.00 0.00 O ATOM 0 H GLU A 83 7.330 -15.321 0.126 1.00 0.00 H new ATOM 0 HA GLU A 83 8.474 -14.230 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.232 -16.612 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.942 -16.285 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.480 -16.267 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.101 -17.061 1.649 1.00 0.00 H new ATOM 1197 N PRO A 84 10.232 -13.559 -0.211 1.00 0.00 N ATOM 1198 CA PRO A 84 11.374 -12.732 -0.583 1.00 0.00 C ATOM 1199 C PRO A 84 11.042 -11.272 -0.349 1.00 0.00 C ATOM 1200 O PRO A 84 11.788 -10.360 -0.723 1.00 0.00 O ATOM 1201 CB PRO A 84 11.551 -13.002 -2.064 1.00 0.00 C ATOM 1202 CG PRO A 84 10.181 -13.310 -2.559 1.00 0.00 C ATOM 1203 CD PRO A 84 9.414 -13.884 -1.393 1.00 0.00 C ATOM 0 HA PRO A 84 12.273 -12.953 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.972 -12.137 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.231 -13.836 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.695 -12.410 -2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.219 -14.021 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.419 -13.445 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.280 -14.961 -1.498 1.00 0.00 H new ATOM 1211 N THR A 85 9.869 -11.082 0.229 1.00 0.00 N ATOM 1212 CA THR A 85 9.382 -9.788 0.616 1.00 0.00 C ATOM 1213 C THR A 85 8.861 -9.878 2.051 1.00 0.00 C ATOM 1214 O THR A 85 7.673 -9.713 2.307 1.00 0.00 O ATOM 1215 CB THR A 85 8.261 -9.318 -0.349 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.070 -10.078 -0.159 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.689 -9.490 -1.790 1.00 0.00 C ATOM 0 H THR A 85 9.223 -11.842 0.442 1.00 0.00 H new ATOM 0 HA THR A 85 10.188 -9.056 0.564 1.00 0.00 H new ATOM 0 HB THR A 85 8.073 -8.267 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.168 -10.647 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.889 -9.155 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.585 -8.898 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.902 -10.541 -1.983 1.00 0.00 H new ATOM 1225 N PRO A 86 9.759 -10.134 3.023 1.00 0.00 N ATOM 1226 CA PRO A 86 9.374 -10.526 4.384 1.00 0.00 C ATOM 1227 C PRO A 86 8.809 -9.363 5.180 1.00 0.00 C ATOM 1228 O PRO A 86 8.589 -9.460 6.387 1.00 0.00 O ATOM 1229 CB PRO A 86 10.697 -10.996 5.011 1.00 0.00 C ATOM 1230 CG PRO A 86 11.674 -11.058 3.892 1.00 0.00 C ATOM 1231 CD PRO A 86 11.216 -10.025 2.916 1.00 0.00 C ATOM 0 HA PRO A 86 8.591 -11.285 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.031 -10.304 5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.581 -11.971 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.686 -10.850 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.691 -12.049 3.438 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.572 -9.029 3.179 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.568 -10.233 1.906 1.00 0.00 H new ATOM 1239 N ASN A 87 8.583 -8.268 4.489 1.00 0.00 N ATOM 1240 CA ASN A 87 8.109 -7.053 5.093 1.00 0.00 C ATOM 1241 C ASN A 87 7.072 -6.440 4.179 1.00 0.00 C ATOM 1242 O ASN A 87 7.014 -6.778 2.995 1.00 0.00 O ATOM 1243 CB ASN A 87 9.266 -6.076 5.283 1.00 0.00 C ATOM 1244 CG ASN A 87 10.460 -6.699 5.978 1.00 0.00 C ATOM 1245 OD1 ASN A 87 10.529 -6.758 7.204 1.00 0.00 O ATOM 1246 ND2 ASN A 87 11.426 -7.135 5.180 1.00 0.00 N ATOM 0 H ASN A 87 8.726 -8.200 3.481 1.00 0.00 H new ATOM 0 HA ASN A 87 7.673 -7.270 6.068 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.577 -5.696 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.920 -5.221 5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.273 -7.541 5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.322 -7.064 4.168 1.00 0.00 H new ATOM 1253 N ALA A 88 6.271 -5.545 4.701 1.00 0.00 N ATOM 1254 CA ALA A 88 5.265 -4.887 3.896 1.00 0.00 C ATOM 1255 C ALA A 88 5.240 -3.407 4.195 1.00 0.00 C ATOM 1256 O ALA A 88 5.278 -2.997 5.356 1.00 0.00 O ATOM 1257 CB ALA A 88 3.899 -5.502 4.130 1.00 0.00 C ATOM 0 H ALA A 88 6.293 -5.254 5.678 1.00 0.00 H new ATOM 0 HA ALA A 88 5.522 -5.025 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.159 -4.991 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.925 -6.559 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.629 -5.399 5.181 1.00 0.00 H new ATOM 1263 N TYR A 89 5.190 -2.606 3.149 1.00 0.00 N ATOM 1264 CA TYR A 89 5.123 -1.175 3.313 1.00 0.00 C ATOM 1265 C TYR A 89 3.711 -0.771 3.678 1.00 0.00 C ATOM 1266 O TYR A 89 2.771 -0.927 2.889 1.00 0.00 O ATOM 1267 CB TYR A 89 5.636 -0.461 2.065 1.00 0.00 C ATOM 1268 CG TYR A 89 7.023 0.072 2.251 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.108 -0.777 2.247 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.248 1.427 2.392 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.383 -0.289 2.363 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.526 1.920 2.522 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.590 1.054 2.498 1.00 0.00 C ATOM 1274 OH TYR A 89 10.867 1.532 2.580 1.00 0.00 O ATOM 0 H TYR A 89 5.195 -2.925 2.180 1.00 0.00 H new ATOM 0 HA TYR A 89 5.776 -0.869 4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.624 -1.152 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.963 0.359 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.951 -1.841 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.410 2.109 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.224 -0.966 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.690 2.981 2.642 1.00 0.00 H new ATOM 0 HH TYR A 89 11.128 1.916 1.717 1.00 0.00 H new ATOM 1284 N TYR A 90 3.586 -0.292 4.905 1.00 0.00 N ATOM 1285 CA TYR A 90 2.308 -0.017 5.532 1.00 0.00 C ATOM 1286 C TYR A 90 1.573 -1.324 5.813 1.00 0.00 C ATOM 1287 O TYR A 90 2.075 -2.169 6.550 1.00 0.00 O ATOM 1288 CB TYR A 90 1.459 0.957 4.704 1.00 0.00 C ATOM 1289 CG TYR A 90 0.927 2.104 5.535 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.064 1.882 6.603 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.311 3.410 5.268 1.00 0.00 C ATOM 1292 CE1 TYR A 90 -0.403 2.931 7.373 1.00 0.00 C ATOM 1293 CE2 TYR A 90 0.852 4.460 6.033 1.00 0.00 C ATOM 1294 CZ TYR A 90 -0.005 4.218 7.082 1.00 0.00 C ATOM 1295 OH TYR A 90 -0.462 5.266 7.847 1.00 0.00 O ATOM 0 H TYR A 90 4.386 -0.080 5.502 1.00 0.00 H new ATOM 0 HA TYR A 90 2.494 0.480 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.059 1.353 3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.624 0.418 4.256 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.246 0.874 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.982 3.607 4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.075 2.743 8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.164 5.470 5.810 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.086 6.106 7.510 1.00 0.00 H new ATOM 1305 N GLU A 91 0.407 -1.506 5.225 1.00 0.00 N ATOM 1306 CA GLU A 91 -0.402 -2.688 5.520 1.00 0.00 C ATOM 1307 C GLU A 91 -0.193 -3.798 4.486 1.00 0.00 C ATOM 1308 O GLU A 91 -0.774 -4.878 4.598 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.878 -2.304 5.572 1.00 0.00 C ATOM 1310 CG GLU A 91 -2.124 -0.918 6.140 1.00 0.00 C ATOM 1311 CD GLU A 91 -3.583 -0.663 6.446 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -4.321 -0.236 5.533 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -4.002 -0.893 7.601 1.00 0.00 O ATOM 0 H GLU A 91 -0.004 -0.864 4.547 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.083 -3.073 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.294 -2.355 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.415 -3.036 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.539 -0.794 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.770 -0.171 5.430 1.00 0.00 H new ATOM 1320 N GLY A 92 0.653 -3.538 3.503 1.00 0.00 N ATOM 1321 CA GLY A 92 0.781 -4.438 2.368 1.00 0.00 C ATOM 1322 C GLY A 92 0.504 -3.712 1.075 1.00 0.00 C ATOM 1323 O GLY A 92 0.369 -4.323 0.016 1.00 0.00 O ATOM 0 H GLY A 92 1.258 -2.717 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.785 -4.861 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.087 -5.271 2.479 1.00 0.00 H new ATOM 1327 N VAL A 93 0.413 -2.392 1.179 1.00 0.00 N ATOM 1328 CA VAL A 93 0.146 -1.538 0.042 1.00 0.00 C ATOM 1329 C VAL A 93 1.293 -1.620 -0.959 1.00 0.00 C ATOM 1330 O VAL A 93 1.101 -1.466 -2.164 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.073 -0.084 0.510 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.638 0.754 -0.608 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.986 -0.050 1.729 1.00 0.00 C ATOM 0 H VAL A 93 0.523 -1.888 2.059 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.763 -1.879 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 93 0.891 0.338 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.785 1.776 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.056 0.755 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.594 0.338 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.130 0.983 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.950 -0.489 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.531 -0.619 2.540 1.00 0.00 H new ATOM 1343 N PHE A 94 2.493 -1.840 -0.439 1.00 0.00 N ATOM 1344 CA PHE A 94 3.618 -2.248 -1.266 1.00 0.00 C ATOM 1345 C PHE A 94 4.503 -3.236 -0.510 1.00 0.00 C ATOM 1346 O PHE A 94 4.400 -3.367 0.710 1.00 0.00 O ATOM 1347 CB PHE A 94 4.528 -1.105 -1.754 1.00 0.00 C ATOM 1348 CG PHE A 94 4.111 0.329 -1.529 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.532 0.759 -0.348 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.411 1.268 -2.497 1.00 0.00 C ATOM 1351 CE1 PHE A 94 3.259 2.095 -0.141 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.125 2.600 -2.304 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.556 3.014 -1.123 1.00 0.00 C ATOM 0 H PHE A 94 2.711 -1.742 0.553 1.00 0.00 H new ATOM 0 HA PHE A 94 3.150 -2.690 -2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.501 -1.239 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.672 -1.238 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.291 0.040 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.877 0.952 -3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.814 2.419 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.347 3.319 -3.079 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.342 4.061 -0.965 1.00 0.00 H new ATOM 1363 N CYS A 95 5.375 -3.919 -1.246 1.00 0.00 N ATOM 1364 CA CYS A 95 6.380 -4.801 -0.663 1.00 0.00 C ATOM 1365 C CYS A 95 7.645 -4.728 -1.534 1.00 0.00 C ATOM 1366 O CYS A 95 7.594 -4.199 -2.643 1.00 0.00 O ATOM 1367 CB CYS A 95 5.871 -6.252 -0.581 1.00 0.00 C ATOM 1368 SG CYS A 95 4.051 -6.419 -0.509 1.00 0.00 S ATOM 0 H CYS A 95 5.404 -3.876 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 95 6.599 -4.478 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.239 -6.801 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.301 -6.724 0.302 1.00 0.00 H new ATOM 1373 N SER A 96 8.775 -5.233 -1.044 1.00 0.00 N ATOM 1374 CA SER A 96 10.024 -5.183 -1.811 1.00 0.00 C ATOM 1375 C SER A 96 10.570 -6.591 -2.014 1.00 0.00 C ATOM 1376 O SER A 96 10.749 -7.333 -1.050 1.00 0.00 O ATOM 1377 CB SER A 96 11.066 -4.327 -1.088 1.00 0.00 C ATOM 1378 OG SER A 96 12.116 -3.924 -1.962 1.00 0.00 O ATOM 0 H SER A 96 8.855 -5.678 -0.130 1.00 0.00 H new ATOM 0 HA SER A 96 9.813 -4.734 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.584 -3.444 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.483 -4.890 -0.253 1.00 0.00 H new ATOM 0 HG SER A 96 12.099 -2.950 -2.066 1.00 0.00 H new ATOM 1384 N SER A 97 10.842 -6.953 -3.259 1.00 0.00 N ATOM 1385 CA SER A 97 11.251 -8.311 -3.574 1.00 0.00 C ATOM 1386 C SER A 97 12.723 -8.413 -3.958 1.00 0.00 C ATOM 1387 O SER A 97 13.089 -8.198 -5.112 1.00 0.00 O ATOM 1388 CB SER A 97 10.366 -8.865 -4.686 1.00 0.00 C ATOM 1389 OG SER A 97 10.153 -7.901 -5.711 1.00 0.00 O ATOM 0 H SER A 97 10.787 -6.328 -4.063 1.00 0.00 H new ATOM 0 HA SER A 97 11.128 -8.908 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.829 -9.755 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.407 -9.173 -4.270 1.00 0.00 H new ATOM 0 HG SER A 97 11.015 -7.537 -6.002 1.00 0.00 H new ATOM 1395 N SER A 98 13.537 -8.751 -2.957 1.00 0.00 N ATOM 1396 CA SER A 98 14.981 -9.006 -3.107 1.00 0.00 C ATOM 1397 C SER A 98 15.655 -9.048 -1.740 1.00 0.00 C ATOM 1398 O SER A 98 16.688 -8.418 -1.528 1.00 0.00 O ATOM 1399 CB SER A 98 15.682 -7.950 -3.977 1.00 0.00 C ATOM 1400 OG SER A 98 15.619 -8.293 -5.350 1.00 0.00 O ATOM 0 H SER A 98 13.210 -8.859 -1.997 1.00 0.00 H new ATOM 0 HA SER A 98 15.075 -9.970 -3.608 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.215 -6.978 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.724 -7.856 -3.670 1.00 0.00 H new ATOM 0 HG SER A 98 14.714 -8.600 -5.569 1.00 0.00 H new ATOM 1406 N SER A 99 15.065 -9.782 -0.813 1.00 0.00 N ATOM 1407 CA SER A 99 15.602 -9.865 0.533 1.00 0.00 C ATOM 1408 C SER A 99 16.499 -11.099 0.673 1.00 0.00 C ATOM 1409 O SER A 99 17.696 -11.002 0.330 1.00 0.00 O ATOM 1410 CB SER A 99 14.446 -9.889 1.532 1.00 0.00 C ATOM 1411 OG SER A 99 13.619 -11.017 1.319 1.00 0.00 O ATOM 1412 OXT SER A 99 16.000 -12.168 1.092 1.00 0.00 O ATOM 0 H SER A 99 14.217 -10.327 -0.967 1.00 0.00 H new ATOM 0 HA SER A 99 16.220 -8.992 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.839 -9.908 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.857 -8.977 1.435 1.00 0.00 H new ATOM 0 HG SER A 99 14.177 -11.810 1.181 1.00 0.00 H new