USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0831! (180deg=-0.64!) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.21) USER MOD Single : A 29 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.64) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -93:sc= 0.0175 USER MOD Single : A 35 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00944) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.16) USER MOD Single : A 40 MET CE :methyl -114:sc= -0.141 (180deg=-0.994) USER MOD Single : A 41 THR OG1 : rot -139:sc= -2.18! USER MOD Single : A 42 THR OG1 : rot 150:sc= -1.25 USER MOD Single : A 43 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 2.56 (180deg=2.43) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 1.98 (180deg=1.63) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 2.43 (180deg=2.15) USER MOD Single : A 50 SER OG : rot 105:sc= 1.25 USER MOD Single : A 51 TYR OH : rot -130:sc= -0.669 USER MOD Single : A 52 CYS SG : rot 58:sc= 1.17 USER MOD Single : A 53 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.63) USER MOD Single : A 59 MET CE :methyl 141:sc=-0.00583 (180deg=-0.143) USER MOD Single : A 60 ASN : amide:sc= 1.03 K(o=1,f=-0.25) USER MOD Single : A 61 SER OG : rot -116:sc= 0.95 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.5) USER MOD Single : A 75 HIS : no HD1:sc= 0.434 K(o=0.43,f=-4.9!) USER MOD Single : A 76 THR OG1 : rot -42:sc= 0.699 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 178:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.423 USER MOD Single : B 357 ASN : amide:sc= -0.0626 K(o=-0.063,f=-2!) USER MOD Single : B 358 ASN : amide:sc= -0.389 K(o=-0.39,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 1.965 5.836 10.277 1.00 10.00 N ATOM 2 CA TYR A 21 2.282 5.502 8.868 1.00 10.00 C ATOM 3 C TYR A 21 1.075 4.861 8.204 1.00 10.00 C ATOM 4 O TYR A 21 0.088 4.558 8.870 1.00 10.00 O ATOM 5 CB TYR A 21 3.482 4.551 8.797 1.00 10.00 C ATOM 6 CG TYR A 21 4.822 5.234 8.972 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.776 5.200 7.962 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.134 5.909 10.146 1.00 10.00 C ATOM 9 CE1 TYR A 21 7.002 5.821 8.117 1.00 10.00 C ATOM 10 CE2 TYR A 21 6.354 6.533 10.307 1.00 10.00 C ATOM 11 CZ TYR A 21 7.284 6.486 9.290 1.00 10.00 C ATOM 12 OH TYR A 21 8.501 7.105 9.449 1.00 10.00 O ATOM 0 HA TYR A 21 2.536 6.422 8.342 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.372 3.787 9.566 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.470 4.039 7.835 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.556 4.680 7.041 1.00 10.00 H new ATOM 0 HD2 TYR A 21 4.409 5.946 10.946 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.734 5.785 7.323 1.00 10.00 H new ATOM 0 HE2 TYR A 21 6.579 7.056 11.225 1.00 10.00 H new ATOM 0 HH TYR A 21 8.540 7.529 10.332 1.00 10.00 H new ATOM 22 N ILE A 22 1.152 4.652 6.898 1.00 10.00 N ATOM 23 CA ILE A 22 0.053 4.044 6.159 1.00 10.00 C ATOM 24 C ILE A 22 0.417 2.621 5.757 1.00 10.00 C ATOM 25 O ILE A 22 1.287 2.406 4.917 1.00 10.00 O ATOM 26 CB ILE A 22 -0.310 4.859 4.896 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.718 6.287 5.275 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.425 4.174 4.114 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.983 6.363 6.107 1.00 10.00 C ATOM 0 H ILE A 22 1.962 4.894 6.328 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.816 4.033 6.816 1.00 10.00 H new ATOM 0 HB ILE A 22 0.573 4.911 4.258 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.098 6.753 5.828 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.858 6.868 4.364 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.665 4.764 3.230 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.098 3.180 3.809 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.311 4.087 4.743 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -2.206 7.405 6.335 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.812 5.928 5.549 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.841 5.811 7.036 1.00 10.00 H new ATOM 41 N LYS A 23 -0.234 1.653 6.372 1.00 10.00 N ATOM 42 CA LYS A 23 0.032 0.256 6.068 1.00 10.00 C ATOM 43 C LYS A 23 -1.032 -0.298 5.122 1.00 10.00 C ATOM 44 O LYS A 23 -2.138 -0.650 5.541 1.00 10.00 O ATOM 45 CB LYS A 23 0.090 -0.554 7.360 1.00 10.00 C ATOM 46 CG LYS A 23 0.489 -2.007 7.162 1.00 10.00 C ATOM 47 CD LYS A 23 0.022 -2.865 8.327 1.00 10.00 C ATOM 48 CE LYS A 23 -1.401 -3.366 8.122 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.383 -2.257 7.977 1.00 10.00 N ATOM 0 H LYS A 23 -0.949 1.805 7.083 1.00 10.00 H new ATOM 0 HA LYS A 23 0.997 0.179 5.567 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.799 -0.083 8.040 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.887 -0.519 7.843 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.058 -2.383 6.234 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.572 -2.080 7.063 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.694 -3.715 8.445 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.075 -2.286 9.249 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.436 -3.996 7.233 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.687 -3.992 8.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.348 -2.635 8.061 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.222 -1.551 8.723 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.266 -1.810 7.045 1.00 10.00 H new ATOM 63 N LEU A 24 -0.684 -0.375 3.847 1.00 10.00 N ATOM 64 CA LEU A 24 -1.599 -0.867 2.825 1.00 10.00 C ATOM 65 C LEU A 24 -1.587 -2.389 2.765 1.00 10.00 C ATOM 66 O LEU A 24 -0.584 -3.024 3.099 1.00 10.00 O ATOM 67 CB LEU A 24 -1.212 -0.298 1.457 1.00 10.00 C ATOM 68 CG LEU A 24 -1.156 1.230 1.374 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.441 1.668 0.105 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.557 1.822 1.420 1.00 10.00 C ATOM 0 H LEU A 24 0.232 -0.101 3.492 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.605 -0.539 3.087 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.236 -0.696 1.180 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -1.926 -0.659 0.717 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.597 1.598 2.234 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.410 2.757 0.062 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.576 1.276 0.107 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -0.976 1.286 -0.764 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.495 2.909 1.360 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.139 1.445 0.579 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -3.042 1.537 2.354 1.00 10.00 H new ATOM 82 N LYS A 25 -2.703 -2.968 2.341 1.00 10.00 N ATOM 83 CA LYS A 25 -2.818 -4.413 2.223 1.00 10.00 C ATOM 84 C LYS A 25 -2.876 -4.814 0.756 1.00 10.00 C ATOM 85 O LYS A 25 -3.867 -4.559 0.068 1.00 10.00 O ATOM 86 CB LYS A 25 -4.057 -4.931 2.960 1.00 10.00 C ATOM 87 CG LYS A 25 -3.920 -4.912 4.474 1.00 10.00 C ATOM 88 CD LYS A 25 -5.035 -5.698 5.146 1.00 10.00 C ATOM 89 CE LYS A 25 -4.782 -7.197 5.086 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.921 -7.980 5.638 1.00 10.00 N ATOM 0 H LYS A 25 -3.543 -2.456 2.073 1.00 10.00 H new ATOM 0 HA LYS A 25 -1.938 -4.862 2.683 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -4.918 -4.327 2.674 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.262 -5.951 2.635 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -2.955 -5.332 4.758 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -3.936 -3.881 4.829 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.125 -5.385 6.186 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -5.984 -5.469 4.662 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.606 -7.493 4.052 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.876 -7.434 5.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.678 -8.991 5.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.117 -7.669 6.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.765 -7.828 5.049 1.00 10.00 H new ATOM 104 N VAL A 26 -1.803 -5.423 0.282 1.00 10.00 N ATOM 105 CA VAL A 26 -1.719 -5.858 -1.101 1.00 10.00 C ATOM 106 C VAL A 26 -2.236 -7.283 -1.238 1.00 10.00 C ATOM 107 O VAL A 26 -1.853 -8.165 -0.468 1.00 10.00 O ATOM 108 CB VAL A 26 -0.271 -5.800 -1.636 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.260 -5.686 -3.152 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.503 -4.651 -1.005 1.00 10.00 C ATOM 0 H VAL A 26 -0.973 -5.628 0.839 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.334 -5.176 -1.688 1.00 10.00 H new ATOM 0 HB VAL A 26 0.224 -6.730 -1.358 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.770 -5.647 -3.506 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.760 -6.552 -3.586 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.782 -4.777 -3.452 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.518 -4.636 -1.401 1.00 10.00 H new ATOM 0 HG22 VAL A 26 0.008 -3.708 -1.238 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.537 -4.786 0.076 1.00 10.00 H new ATOM 120 N ILE A 27 -3.114 -7.498 -2.205 1.00 10.00 N ATOM 121 CA ILE A 27 -3.676 -8.818 -2.442 1.00 10.00 C ATOM 122 C ILE A 27 -2.816 -9.593 -3.431 1.00 10.00 C ATOM 123 O ILE A 27 -2.744 -9.247 -4.613 1.00 10.00 O ATOM 124 CB ILE A 27 -5.125 -8.737 -2.975 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.010 -7.934 -2.014 1.00 10.00 C ATOM 126 CG2 ILE A 27 -5.697 -10.131 -3.188 1.00 10.00 C ATOM 127 CD1 ILE A 27 -6.096 -8.525 -0.620 1.00 10.00 C ATOM 0 H ILE A 27 -3.453 -6.774 -2.839 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.692 -9.338 -1.484 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.107 -8.223 -3.936 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.624 -6.917 -1.944 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.014 -7.866 -2.432 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.717 -10.052 -3.563 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.085 -10.669 -3.912 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.699 -10.672 -2.242 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.739 -7.901 0.001 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.511 -9.531 -0.676 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -5.099 -8.568 -0.181 1.00 10.00 H new ATOM 139 N GLY A 28 -2.151 -10.626 -2.933 1.00 10.00 N ATOM 140 CA GLY A 28 -1.303 -11.443 -3.773 1.00 10.00 C ATOM 141 C GLY A 28 -2.103 -12.388 -4.646 1.00 10.00 C ATOM 142 O GLY A 28 -3.209 -12.792 -4.283 1.00 10.00 O ATOM 0 H GLY A 28 -2.185 -10.913 -1.955 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -0.690 -10.799 -4.404 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.621 -12.019 -3.147 1.00 10.00 H new ATOM 146 N GLN A 29 -1.534 -12.753 -5.789 1.00 10.00 N ATOM 147 CA GLN A 29 -2.193 -13.651 -6.736 1.00 10.00 C ATOM 148 C GLN A 29 -2.457 -15.028 -6.116 1.00 10.00 C ATOM 149 O GLN A 29 -3.338 -15.763 -6.563 1.00 10.00 O ATOM 150 CB GLN A 29 -1.340 -13.788 -8.003 1.00 10.00 C ATOM 151 CG GLN A 29 -2.023 -14.551 -9.129 1.00 10.00 C ATOM 152 CD GLN A 29 -3.250 -13.840 -9.667 1.00 10.00 C ATOM 153 OE1 GLN A 29 -3.164 -13.045 -10.603 1.00 10.00 O ATOM 154 NE2 GLN A 29 -4.403 -14.122 -9.081 1.00 10.00 N ATOM 0 H GLN A 29 -0.610 -12.439 -6.086 1.00 10.00 H new ATOM 0 HA GLN A 29 -3.159 -13.219 -6.997 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -1.076 -12.793 -8.360 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -0.408 -14.293 -7.749 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -1.312 -14.702 -9.941 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -2.311 -15.539 -8.769 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -4.433 -14.787 -8.308 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -5.261 -13.675 -9.403 1.00 10.00 H new ATOM 163 N ASP A 30 -1.697 -15.369 -5.084 1.00 10.00 N ATOM 164 CA ASP A 30 -1.855 -16.652 -4.405 1.00 10.00 C ATOM 165 C ASP A 30 -2.720 -16.495 -3.155 1.00 10.00 C ATOM 166 O ASP A 30 -2.685 -17.334 -2.253 1.00 10.00 O ATOM 167 CB ASP A 30 -0.484 -17.239 -4.047 1.00 10.00 C ATOM 168 CG ASP A 30 0.226 -16.478 -2.947 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.503 -15.273 -3.133 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.529 -17.089 -1.900 1.00 10.00 O ATOM 0 H ASP A 30 -0.963 -14.775 -4.697 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.358 -17.343 -5.082 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.611 -18.277 -3.738 1.00 10.00 H new ATOM 0 HB3 ASP A 30 0.144 -17.246 -4.938 1.00 10.00 H new ATOM 175 N SER A 31 -3.506 -15.416 -3.129 1.00 10.00 N ATOM 176 CA SER A 31 -4.408 -15.112 -2.017 1.00 10.00 C ATOM 177 C SER A 31 -3.625 -14.768 -0.751 1.00 10.00 C ATOM 178 O SER A 31 -3.942 -15.241 0.342 1.00 10.00 O ATOM 179 CB SER A 31 -5.364 -16.287 -1.759 1.00 10.00 C ATOM 180 OG SER A 31 -5.885 -16.797 -2.978 1.00 10.00 O ATOM 0 H SER A 31 -3.534 -14.727 -3.881 1.00 10.00 H new ATOM 0 HA SER A 31 -5.000 -14.239 -2.294 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.838 -17.078 -1.225 1.00 10.00 H new ATOM 0 HB3 SER A 31 -6.183 -15.960 -1.118 1.00 10.00 H new ATOM 0 HG SER A 31 -6.489 -17.545 -2.788 1.00 10.00 H new ATOM 186 N SER A 32 -2.600 -13.939 -0.902 1.00 10.00 N ATOM 187 CA SER A 32 -1.775 -13.532 0.224 1.00 10.00 C ATOM 188 C SER A 32 -2.059 -12.082 0.602 1.00 10.00 C ATOM 189 O SER A 32 -2.428 -11.274 -0.250 1.00 10.00 O ATOM 190 CB SER A 32 -0.302 -13.705 -0.134 1.00 10.00 C ATOM 191 OG SER A 32 -0.067 -13.341 -1.484 1.00 10.00 O ATOM 0 H SER A 32 -2.321 -13.535 -1.796 1.00 10.00 H new ATOM 0 HA SER A 32 -2.014 -14.160 1.082 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.312 -13.091 0.525 1.00 10.00 H new ATOM 0 HB3 SER A 32 -0.003 -14.741 0.026 1.00 10.00 H new ATOM 0 HG SER A 32 -0.131 -14.136 -2.053 1.00 10.00 H new ATOM 197 N GLU A 33 -1.901 -11.765 1.880 1.00 10.00 N ATOM 198 CA GLU A 33 -2.132 -10.414 2.363 1.00 10.00 C ATOM 199 C GLU A 33 -0.801 -9.751 2.695 1.00 10.00 C ATOM 200 O GLU A 33 -0.197 -10.027 3.734 1.00 10.00 O ATOM 201 CB GLU A 33 -3.032 -10.431 3.603 1.00 10.00 C ATOM 202 CG GLU A 33 -4.167 -11.442 3.531 1.00 10.00 C ATOM 203 CD GLU A 33 -4.831 -11.669 4.874 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.731 -12.799 5.412 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.448 -10.715 5.404 1.00 10.00 O ATOM 0 H GLU A 33 -1.613 -12.427 2.600 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.633 -9.845 1.580 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.421 -10.648 4.479 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.454 -9.436 3.747 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.912 -11.095 2.815 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.781 -12.390 3.156 1.00 10.00 H new ATOM 212 N ILE A 34 -0.336 -8.893 1.807 1.00 10.00 N ATOM 213 CA ILE A 34 0.933 -8.210 2.012 1.00 10.00 C ATOM 214 C ILE A 34 0.707 -6.875 2.708 1.00 10.00 C ATOM 215 O ILE A 34 -0.080 -6.052 2.247 1.00 10.00 O ATOM 216 CB ILE A 34 1.682 -7.962 0.684 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.499 -9.130 -0.295 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.160 -7.720 0.952 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.067 -10.447 0.192 1.00 10.00 C ATOM 0 H ILE A 34 -0.814 -8.651 0.939 1.00 10.00 H new ATOM 0 HA ILE A 34 1.546 -8.861 2.635 1.00 10.00 H new ATOM 0 HB ILE A 34 1.254 -7.073 0.220 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.435 -9.258 -0.494 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.972 -8.872 -1.243 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.677 -7.546 0.008 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.275 -6.847 1.595 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.588 -8.593 1.445 1.00 10.00 H new ATOM 0 HD11 ILE A 34 1.895 -11.218 -0.559 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.138 -10.340 0.363 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.577 -10.732 1.123 1.00 10.00 H new ATOM 231 N HIS A 35 1.397 -6.665 3.817 1.00 10.00 N ATOM 232 CA HIS A 35 1.265 -5.432 4.578 1.00 10.00 C ATOM 233 C HIS A 35 2.454 -4.520 4.292 1.00 10.00 C ATOM 234 O HIS A 35 3.554 -4.727 4.813 1.00 10.00 O ATOM 235 CB HIS A 35 1.172 -5.727 6.083 1.00 10.00 C ATOM 236 CG HIS A 35 0.148 -6.767 6.444 1.00 10.00 C ATOM 237 ND1 HIS A 35 -1.043 -6.429 7.038 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.187 -8.112 6.275 1.00 10.00 C ATOM 239 CE1 HIS A 35 -1.696 -7.565 7.214 1.00 10.00 C ATOM 240 NE2 HIS A 35 -0.990 -8.612 6.765 1.00 10.00 N ATOM 0 H HIS A 35 2.057 -7.335 4.212 1.00 10.00 H new ATOM 0 HA HIS A 35 0.346 -4.931 4.273 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.149 -6.056 6.439 1.00 10.00 H new ATOM 0 HB3 HIS A 35 0.936 -4.802 6.609 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.994 -8.681 5.837 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -2.675 -7.640 7.663 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -1.274 -9.591 6.784 1.00 10.00 H new ATOM 248 N PHE A 36 2.233 -3.521 3.454 1.00 10.00 N ATOM 249 CA PHE A 36 3.287 -2.588 3.088 1.00 10.00 C ATOM 250 C PHE A 36 3.176 -1.310 3.910 1.00 10.00 C ATOM 251 O PHE A 36 2.206 -0.563 3.780 1.00 10.00 O ATOM 252 CB PHE A 36 3.211 -2.252 1.596 1.00 10.00 C ATOM 253 CG PHE A 36 4.557 -2.102 0.937 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.622 -1.527 1.615 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.755 -2.538 -0.363 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.857 -1.391 1.009 1.00 10.00 C ATOM 257 CE2 PHE A 36 5.987 -2.404 -0.974 1.00 10.00 C ATOM 258 CZ PHE A 36 7.040 -1.831 -0.288 1.00 10.00 C ATOM 0 H PHE A 36 1.332 -3.335 3.013 1.00 10.00 H new ATOM 0 HA PHE A 36 4.247 -3.060 3.296 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.652 -3.036 1.085 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.650 -1.326 1.470 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.485 -1.181 2.629 1.00 10.00 H new ATOM 0 HD2 PHE A 36 3.937 -2.988 -0.905 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.678 -0.942 1.548 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.127 -2.747 -1.988 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.004 -1.727 -0.764 1.00 10.00 H new ATOM 268 N LYS A 37 4.163 -1.068 4.758 1.00 10.00 N ATOM 269 CA LYS A 37 4.172 0.122 5.593 1.00 10.00 C ATOM 270 C LYS A 37 4.784 1.287 4.827 1.00 10.00 C ATOM 271 O LYS A 37 6.006 1.397 4.724 1.00 10.00 O ATOM 272 CB LYS A 37 4.959 -0.128 6.882 1.00 10.00 C ATOM 273 CG LYS A 37 4.756 0.945 7.939 1.00 10.00 C ATOM 274 CD LYS A 37 6.053 1.271 8.666 1.00 10.00 C ATOM 275 CE LYS A 37 6.601 0.068 9.421 1.00 10.00 C ATOM 276 NZ LYS A 37 7.788 0.424 10.239 1.00 10.00 N ATOM 0 H LYS A 37 4.969 -1.680 4.886 1.00 10.00 H new ATOM 0 HA LYS A 37 3.144 0.367 5.859 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.665 -1.093 7.295 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.020 -0.194 6.642 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.364 1.848 7.471 1.00 10.00 H new ATOM 0 HG3 LYS A 37 4.009 0.610 8.659 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.795 1.616 7.946 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.881 2.090 9.364 1.00 10.00 H new ATOM 0 HE2 LYS A 37 5.824 -0.341 10.067 1.00 10.00 H new ATOM 0 HE3 LYS A 37 6.870 -0.715 8.712 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 8.173 -0.434 10.684 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.513 0.853 9.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 7.510 1.102 10.977 1.00 10.00 H new ATOM 290 N VAL A 38 3.933 2.143 4.284 1.00 10.00 N ATOM 291 CA VAL A 38 4.396 3.289 3.516 1.00 10.00 C ATOM 292 C VAL A 38 4.224 4.583 4.307 1.00 10.00 C ATOM 293 O VAL A 38 3.571 4.605 5.354 1.00 10.00 O ATOM 294 CB VAL A 38 3.659 3.403 2.157 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.534 2.040 1.498 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.287 4.041 2.316 1.00 10.00 C ATOM 0 H VAL A 38 2.919 2.067 4.360 1.00 10.00 H new ATOM 0 HA VAL A 38 5.456 3.132 3.318 1.00 10.00 H new ATOM 0 HB VAL A 38 4.256 4.050 1.515 1.00 10.00 H new ATOM 0 HG11 VAL A 38 3.014 2.143 0.546 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.528 1.627 1.326 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.971 1.371 2.149 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.800 4.104 1.343 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.679 3.434 2.987 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.397 5.042 2.732 1.00 10.00 H new ATOM 306 N LYS A 39 4.816 5.657 3.807 1.00 10.00 N ATOM 307 CA LYS A 39 4.731 6.954 4.455 1.00 10.00 C ATOM 308 C LYS A 39 4.082 7.961 3.514 1.00 10.00 C ATOM 309 O LYS A 39 4.307 7.924 2.302 1.00 10.00 O ATOM 310 CB LYS A 39 6.128 7.431 4.866 1.00 10.00 C ATOM 311 CG LYS A 39 6.133 8.743 5.639 1.00 10.00 C ATOM 312 CD LYS A 39 7.551 9.239 5.875 1.00 10.00 C ATOM 313 CE LYS A 39 7.569 10.655 6.432 1.00 10.00 C ATOM 314 NZ LYS A 39 8.939 11.232 6.420 1.00 10.00 N ATOM 0 H LYS A 39 5.365 5.653 2.947 1.00 10.00 H new ATOM 0 HA LYS A 39 4.118 6.865 5.352 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.599 6.660 5.476 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.739 7.546 3.971 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.569 9.495 5.087 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.629 8.606 6.596 1.00 10.00 H new ATOM 0 HD2 LYS A 39 8.060 8.569 6.568 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.107 9.210 4.938 1.00 10.00 H new ATOM 0 HE2 LYS A 39 6.903 11.286 5.844 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.185 10.650 7.452 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 8.878 12.270 6.424 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.458 10.912 7.263 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.441 10.918 5.565 1.00 10.00 H new ATOM 328 N MET A 40 3.280 8.852 4.074 1.00 10.00 N ATOM 329 CA MET A 40 2.593 9.877 3.298 1.00 10.00 C ATOM 330 C MET A 40 3.561 11.000 2.917 1.00 10.00 C ATOM 331 O MET A 40 3.365 12.164 3.273 1.00 10.00 O ATOM 332 CB MET A 40 1.418 10.433 4.109 1.00 10.00 C ATOM 333 CG MET A 40 0.502 11.351 3.318 1.00 10.00 C ATOM 334 SD MET A 40 -0.343 10.505 1.970 1.00 10.00 S ATOM 335 CE MET A 40 -1.436 9.416 2.883 1.00 10.00 C ATOM 0 H MET A 40 3.086 8.887 5.075 1.00 10.00 H new ATOM 0 HA MET A 40 2.212 9.432 2.379 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.833 9.600 4.499 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.808 10.978 4.968 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.239 11.784 3.990 1.00 10.00 H new ATOM 0 HG3 MET A 40 1.086 12.177 2.913 1.00 10.00 H new ATOM 0 HE1 MET A 40 -1.145 8.380 2.710 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.366 9.640 3.948 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.462 9.565 2.547 1.00 10.00 H new ATOM 345 N THR A 41 4.622 10.632 2.209 1.00 10.00 N ATOM 346 CA THR A 41 5.640 11.582 1.779 1.00 10.00 C ATOM 347 C THR A 41 6.411 11.034 0.579 1.00 10.00 C ATOM 348 O THR A 41 6.699 11.757 -0.376 1.00 10.00 O ATOM 349 CB THR A 41 6.639 11.893 2.917 1.00 10.00 C ATOM 350 OG1 THR A 41 5.944 12.095 4.155 1.00 10.00 O ATOM 351 CG2 THR A 41 7.459 13.130 2.594 1.00 10.00 C ATOM 0 H THR A 41 4.800 9.671 1.918 1.00 10.00 H new ATOM 0 HA THR A 41 5.126 12.502 1.500 1.00 10.00 H new ATOM 0 HB THR A 41 7.309 11.038 3.014 1.00 10.00 H new ATOM 0 HG1 THR A 41 6.349 12.845 4.639 1.00 10.00 H new ATOM 0 HG21 THR A 41 8.155 13.329 3.409 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.018 12.966 1.672 1.00 10.00 H new ATOM 0 HG23 THR A 41 6.794 13.985 2.468 1.00 10.00 H new ATOM 359 N THR A 42 6.737 9.751 0.639 1.00 10.00 N ATOM 360 CA THR A 42 7.476 9.088 -0.422 1.00 10.00 C ATOM 361 C THR A 42 6.578 8.793 -1.621 1.00 10.00 C ATOM 362 O THR A 42 5.377 8.554 -1.465 1.00 10.00 O ATOM 363 CB THR A 42 8.062 7.769 0.096 1.00 10.00 C ATOM 364 OG1 THR A 42 8.127 7.825 1.523 1.00 10.00 O ATOM 365 CG2 THR A 42 9.449 7.522 -0.475 1.00 10.00 C ATOM 0 H THR A 42 6.497 9.143 1.422 1.00 10.00 H new ATOM 0 HA THR A 42 8.276 9.757 -0.739 1.00 10.00 H new ATOM 0 HB THR A 42 7.420 6.947 -0.222 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.026 6.922 1.891 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.839 6.580 -0.090 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.391 7.473 -1.562 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.113 8.336 -0.183 1.00 10.00 H new ATOM 373 N HIS A 43 7.159 8.823 -2.812 1.00 10.00 N ATOM 374 CA HIS A 43 6.416 8.544 -4.031 1.00 10.00 C ATOM 375 C HIS A 43 6.178 7.045 -4.153 1.00 10.00 C ATOM 376 O HIS A 43 6.980 6.244 -3.668 1.00 10.00 O ATOM 377 CB HIS A 43 7.175 9.052 -5.264 1.00 10.00 C ATOM 378 CG HIS A 43 7.883 10.359 -5.048 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.245 10.409 -4.883 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.382 11.615 -4.972 1.00 10.00 C ATOM 381 CE1 HIS A 43 9.544 11.683 -4.707 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.447 12.452 -4.754 1.00 10.00 N ATOM 0 H HIS A 43 8.145 9.038 -2.959 1.00 10.00 H new ATOM 0 HA HIS A 43 5.459 9.064 -3.980 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.905 8.300 -5.564 1.00 10.00 H new ATOM 0 HB3 HIS A 43 6.473 9.163 -6.090 1.00 10.00 H new ATOM 0 HD2 HIS A 43 6.345 11.902 -5.065 1.00 10.00 H new ATOM 0 HE1 HIS A 43 10.544 12.057 -4.546 1.00 10.00 H new ATOM 0 HE2 HIS A 43 8.411 13.466 -4.648 1.00 10.00 H new ATOM 390 N LEU A 44 5.096 6.667 -4.823 1.00 10.00 N ATOM 391 CA LEU A 44 4.752 5.260 -5.001 1.00 10.00 C ATOM 392 C LEU A 44 5.778 4.543 -5.875 1.00 10.00 C ATOM 393 O LEU A 44 5.792 3.316 -5.950 1.00 10.00 O ATOM 394 CB LEU A 44 3.344 5.123 -5.582 1.00 10.00 C ATOM 395 CG LEU A 44 2.220 5.224 -4.546 1.00 10.00 C ATOM 396 CD1 LEU A 44 0.920 5.652 -5.201 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.040 3.897 -3.824 1.00 10.00 C ATOM 0 H LEU A 44 4.439 7.317 -5.254 1.00 10.00 H new ATOM 0 HA LEU A 44 4.767 4.782 -4.021 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.198 5.897 -6.335 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.266 4.163 -6.092 1.00 10.00 H new ATOM 0 HG LEU A 44 2.499 5.982 -3.814 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.136 5.717 -4.446 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.053 6.627 -5.671 1.00 10.00 H new ATOM 0 HD13 LEU A 44 0.636 4.920 -5.957 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.238 3.987 -3.092 1.00 10.00 H new ATOM 0 HD22 LEU A 44 1.787 3.121 -4.546 1.00 10.00 H new ATOM 0 HD23 LEU A 44 2.967 3.631 -3.316 1.00 10.00 H new ATOM 409 N LYS A 45 6.636 5.319 -6.528 1.00 10.00 N ATOM 410 CA LYS A 45 7.696 4.773 -7.368 1.00 10.00 C ATOM 411 C LYS A 45 8.605 3.874 -6.530 1.00 10.00 C ATOM 412 O LYS A 45 8.948 2.761 -6.933 1.00 10.00 O ATOM 413 CB LYS A 45 8.505 5.923 -7.986 1.00 10.00 C ATOM 414 CG LYS A 45 9.820 5.504 -8.630 1.00 10.00 C ATOM 415 CD LYS A 45 9.601 4.586 -9.820 1.00 10.00 C ATOM 416 CE LYS A 45 10.791 4.608 -10.769 1.00 10.00 C ATOM 417 NZ LYS A 45 10.633 3.631 -11.879 1.00 10.00 N ATOM 0 H LYS A 45 6.617 6.338 -6.491 1.00 10.00 H new ATOM 0 HA LYS A 45 7.258 4.179 -8.170 1.00 10.00 H new ATOM 0 HB2 LYS A 45 7.890 6.418 -8.737 1.00 10.00 H new ATOM 0 HB3 LYS A 45 8.715 6.659 -7.210 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.366 6.391 -8.952 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.441 4.998 -7.891 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.433 3.568 -9.469 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.702 4.891 -10.355 1.00 10.00 H new ATOM 0 HE2 LYS A 45 10.908 5.610 -11.181 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.702 4.383 -10.214 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.448 3.701 -12.521 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.581 2.668 -11.489 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.760 3.840 -12.404 1.00 10.00 H new ATOM 431 N LYS A 46 8.947 4.364 -5.343 1.00 10.00 N ATOM 432 CA LYS A 46 9.808 3.646 -4.414 1.00 10.00 C ATOM 433 C LYS A 46 9.133 2.358 -3.938 1.00 10.00 C ATOM 434 O LYS A 46 9.789 1.345 -3.700 1.00 10.00 O ATOM 435 CB LYS A 46 10.143 4.564 -3.228 1.00 10.00 C ATOM 436 CG LYS A 46 10.695 3.852 -2.002 1.00 10.00 C ATOM 437 CD LYS A 46 12.126 3.386 -2.204 1.00 10.00 C ATOM 438 CE LYS A 46 13.128 4.514 -2.005 1.00 10.00 C ATOM 439 NZ LYS A 46 13.249 4.918 -0.579 1.00 10.00 N ATOM 0 H LYS A 46 8.634 5.272 -4.999 1.00 10.00 H new ATOM 0 HA LYS A 46 10.732 3.364 -4.919 1.00 10.00 H new ATOM 0 HB2 LYS A 46 10.870 5.307 -3.557 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.242 5.105 -2.941 1.00 10.00 H new ATOM 0 HG2 LYS A 46 10.651 4.523 -1.144 1.00 10.00 H new ATOM 0 HG3 LYS A 46 10.065 2.994 -1.768 1.00 10.00 H new ATOM 0 HD2 LYS A 46 12.346 2.579 -1.506 1.00 10.00 H new ATOM 0 HD3 LYS A 46 12.235 2.977 -3.208 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.104 4.199 -2.375 1.00 10.00 H new ATOM 0 HE3 LYS A 46 12.824 5.376 -2.600 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 14.086 5.523 -0.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.398 5.444 -0.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.347 4.070 0.015 1.00 10.00 H new ATOM 453 N LEU A 47 7.815 2.396 -3.830 1.00 10.00 N ATOM 454 CA LEU A 47 7.049 1.239 -3.382 1.00 10.00 C ATOM 455 C LEU A 47 6.956 0.186 -4.483 1.00 10.00 C ATOM 456 O LEU A 47 7.108 -1.009 -4.227 1.00 10.00 O ATOM 457 CB LEU A 47 5.637 1.661 -2.949 1.00 10.00 C ATOM 458 CG LEU A 47 5.533 2.373 -1.593 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.402 1.690 -0.553 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.906 3.842 -1.714 1.00 10.00 C ATOM 0 H LEU A 47 7.250 3.217 -4.047 1.00 10.00 H new ATOM 0 HA LEU A 47 7.569 0.806 -2.528 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.225 2.318 -3.715 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.007 0.772 -2.919 1.00 10.00 H new ATOM 0 HG LEU A 47 4.495 2.312 -1.267 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.310 2.214 0.398 1.00 10.00 H new ATOM 0 HD12 LEU A 47 6.079 0.656 -0.431 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.442 1.709 -0.879 1.00 10.00 H new ATOM 0 HD21 LEU A 47 5.823 4.320 -0.738 1.00 10.00 H new ATOM 0 HD22 LEU A 47 6.931 3.929 -2.074 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.232 4.332 -2.416 1.00 10.00 H new ATOM 472 N LYS A 48 6.733 0.643 -5.707 1.00 10.00 N ATOM 473 CA LYS A 48 6.600 -0.249 -6.853 1.00 10.00 C ATOM 474 C LYS A 48 7.864 -1.076 -7.081 1.00 10.00 C ATOM 475 O LYS A 48 7.790 -2.292 -7.255 1.00 10.00 O ATOM 476 CB LYS A 48 6.266 0.549 -8.117 1.00 10.00 C ATOM 477 CG LYS A 48 4.877 1.172 -8.095 1.00 10.00 C ATOM 478 CD LYS A 48 4.605 1.996 -9.346 1.00 10.00 C ATOM 479 CE LYS A 48 4.422 1.116 -10.573 1.00 10.00 C ATOM 480 NZ LYS A 48 4.060 1.902 -11.780 1.00 10.00 N ATOM 0 H LYS A 48 6.640 1.633 -5.934 1.00 10.00 H new ATOM 0 HA LYS A 48 5.784 -0.938 -6.633 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.007 1.338 -8.245 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.347 -0.108 -8.983 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.128 0.385 -8.008 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.777 1.806 -7.214 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.711 2.601 -9.196 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.432 2.686 -9.514 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.343 0.565 -10.763 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.644 0.378 -10.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.012 1.270 -12.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.134 2.353 -11.636 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.780 2.634 -11.946 1.00 10.00 H new ATOM 494 N GLU A 49 9.019 -0.417 -7.067 1.00 10.00 N ATOM 495 CA GLU A 49 10.291 -1.103 -7.299 1.00 10.00 C ATOM 496 C GLU A 49 10.634 -2.070 -6.165 1.00 10.00 C ATOM 497 O GLU A 49 11.000 -3.220 -6.415 1.00 10.00 O ATOM 498 CB GLU A 49 11.424 -0.091 -7.496 1.00 10.00 C ATOM 499 CG GLU A 49 11.528 0.943 -6.388 1.00 10.00 C ATOM 500 CD GLU A 49 12.512 2.044 -6.711 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.170 2.551 -5.777 1.00 10.00 O ATOM 502 OE2 GLU A 49 12.633 2.406 -7.899 1.00 10.00 O ATOM 0 H GLU A 49 9.103 0.586 -6.899 1.00 10.00 H new ATOM 0 HA GLU A 49 10.179 -1.690 -8.210 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.369 -0.629 -7.567 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.277 0.423 -8.446 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.545 1.380 -6.210 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.830 0.451 -5.464 1.00 10.00 H new ATOM 509 N SER A 50 10.496 -1.609 -4.927 1.00 10.00 N ATOM 510 CA SER A 50 10.809 -2.431 -3.763 1.00 10.00 C ATOM 511 C SER A 50 9.934 -3.681 -3.702 1.00 10.00 C ATOM 512 O SER A 50 10.397 -4.751 -3.301 1.00 10.00 O ATOM 513 CB SER A 50 10.657 -1.607 -2.486 1.00 10.00 C ATOM 514 OG SER A 50 11.428 -0.419 -2.560 1.00 10.00 O ATOM 0 H SER A 50 10.169 -0.669 -4.703 1.00 10.00 H new ATOM 0 HA SER A 50 11.843 -2.763 -3.854 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.607 -1.356 -2.332 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.973 -2.198 -1.626 1.00 10.00 H new ATOM 0 HG SER A 50 10.836 0.346 -2.713 1.00 10.00 H new ATOM 520 N TYR A 51 8.675 -3.549 -4.106 1.00 10.00 N ATOM 521 CA TYR A 51 7.756 -4.680 -4.099 1.00 10.00 C ATOM 522 C TYR A 51 8.219 -5.749 -5.082 1.00 10.00 C ATOM 523 O TYR A 51 8.243 -6.938 -4.756 1.00 10.00 O ATOM 524 CB TYR A 51 6.341 -4.225 -4.457 1.00 10.00 C ATOM 525 CG TYR A 51 5.280 -5.268 -4.178 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.671 -5.348 -2.933 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.887 -6.171 -5.160 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.708 -6.301 -2.671 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.922 -7.124 -4.905 1.00 10.00 C ATOM 530 CZ TYR A 51 3.334 -7.184 -3.660 1.00 10.00 C ATOM 531 OH TYR A 51 2.374 -8.134 -3.401 1.00 10.00 O ATOM 0 H TYR A 51 8.270 -2.675 -4.441 1.00 10.00 H new ATOM 0 HA TYR A 51 7.746 -5.103 -3.095 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.106 -3.321 -3.895 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.310 -3.961 -5.514 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.956 -4.653 -2.157 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.344 -6.126 -6.137 1.00 10.00 H new ATOM 0 HE1 TYR A 51 3.249 -6.354 -1.695 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.629 -7.820 -5.677 1.00 10.00 H new ATOM 0 HH TYR A 51 2.700 -9.014 -3.684 1.00 10.00 H new ATOM 541 N CYS A 52 8.589 -5.314 -6.281 1.00 10.00 N ATOM 542 CA CYS A 52 9.053 -6.223 -7.319 1.00 10.00 C ATOM 543 C CYS A 52 10.293 -6.984 -6.854 1.00 10.00 C ATOM 544 O CYS A 52 10.351 -8.213 -6.944 1.00 10.00 O ATOM 545 CB CYS A 52 9.360 -5.450 -8.606 1.00 10.00 C ATOM 546 SG CYS A 52 7.978 -4.462 -9.230 1.00 10.00 S ATOM 0 H CYS A 52 8.576 -4.332 -6.558 1.00 10.00 H new ATOM 0 HA CYS A 52 8.261 -6.944 -7.522 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.210 -4.792 -8.426 1.00 10.00 H new ATOM 0 HB3 CYS A 52 9.663 -6.158 -9.378 1.00 10.00 H new ATOM 0 HG CYS A 52 7.597 -3.622 -8.314 1.00 10.00 H new ATOM 552 N GLN A 53 11.270 -6.250 -6.328 1.00 10.00 N ATOM 553 CA GLN A 53 12.512 -6.851 -5.851 1.00 10.00 C ATOM 554 C GLN A 53 12.231 -7.887 -4.769 1.00 10.00 C ATOM 555 O GLN A 53 12.843 -8.955 -4.736 1.00 10.00 O ATOM 556 CB GLN A 53 13.448 -5.774 -5.309 1.00 10.00 C ATOM 557 CG GLN A 53 13.839 -4.732 -6.344 1.00 10.00 C ATOM 558 CD GLN A 53 14.567 -3.553 -5.735 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.354 -3.207 -4.573 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.426 -2.925 -6.517 1.00 10.00 N ATOM 0 H GLN A 53 11.225 -5.237 -6.221 1.00 10.00 H new ATOM 0 HA GLN A 53 12.993 -7.350 -6.693 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.967 -5.276 -4.468 1.00 10.00 H new ATOM 0 HB3 GLN A 53 14.351 -6.249 -4.924 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.473 -5.196 -7.099 1.00 10.00 H new ATOM 0 HG3 GLN A 53 12.943 -4.377 -6.854 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.572 -3.245 -7.474 1.00 10.00 H new ATOM 0 HE22 GLN A 53 15.943 -2.120 -6.164 1.00 10.00 H new ATOM 569 N ARG A 54 11.286 -7.570 -3.898 1.00 10.00 N ATOM 570 CA ARG A 54 10.909 -8.462 -2.812 1.00 10.00 C ATOM 571 C ARG A 54 10.299 -9.759 -3.349 1.00 10.00 C ATOM 572 O ARG A 54 10.577 -10.845 -2.840 1.00 10.00 O ATOM 573 CB ARG A 54 9.915 -7.756 -1.894 1.00 10.00 C ATOM 574 CG ARG A 54 9.427 -8.614 -0.744 1.00 10.00 C ATOM 575 CD ARG A 54 9.943 -8.109 0.594 1.00 10.00 C ATOM 576 NE ARG A 54 9.070 -8.511 1.692 1.00 10.00 N ATOM 577 CZ ARG A 54 9.303 -8.243 2.975 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.407 -7.601 3.337 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.424 -8.617 3.894 1.00 10.00 N ATOM 0 H ARG A 54 10.762 -6.695 -3.923 1.00 10.00 H new ATOM 0 HA ARG A 54 11.806 -8.721 -2.250 1.00 10.00 H new ATOM 0 HB2 ARG A 54 10.382 -6.857 -1.491 1.00 10.00 H new ATOM 0 HB3 ARG A 54 9.057 -7.433 -2.483 1.00 10.00 H new ATOM 0 HG2 ARG A 54 8.337 -8.623 -0.734 1.00 10.00 H new ATOM 0 HG3 ARG A 54 9.753 -9.643 -0.894 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.947 -8.495 0.767 1.00 10.00 H new ATOM 0 HD3 ARG A 54 10.020 -7.022 0.568 1.00 10.00 H new ATOM 0 HE ARG A 54 8.224 -9.032 1.461 1.00 10.00 H new ATOM 0 HH11 ARG A 54 11.083 -7.310 2.630 1.00 10.00 H new ATOM 0 HH12 ARG A 54 10.580 -7.399 4.322 1.00 10.00 H new ATOM 0 HH21 ARG A 54 7.574 -9.108 3.617 1.00 10.00 H new ATOM 0 HH22 ARG A 54 8.598 -8.414 4.878 1.00 10.00 H new ATOM 593 N GLN A 55 9.488 -9.639 -4.395 1.00 10.00 N ATOM 594 CA GLN A 55 8.828 -10.799 -4.991 1.00 10.00 C ATOM 595 C GLN A 55 9.762 -11.566 -5.923 1.00 10.00 C ATOM 596 O GLN A 55 9.407 -12.631 -6.429 1.00 10.00 O ATOM 597 CB GLN A 55 7.575 -10.368 -5.753 1.00 10.00 C ATOM 598 CG GLN A 55 6.415 -9.976 -4.850 1.00 10.00 C ATOM 599 CD GLN A 55 6.106 -11.030 -3.804 1.00 10.00 C ATOM 600 OE1 GLN A 55 6.624 -10.984 -2.688 1.00 10.00 O ATOM 601 NE2 GLN A 55 5.270 -11.991 -4.160 1.00 10.00 N ATOM 0 H GLN A 55 9.271 -8.752 -4.849 1.00 10.00 H new ATOM 0 HA GLN A 55 8.545 -11.465 -4.176 1.00 10.00 H new ATOM 0 HB2 GLN A 55 7.824 -9.524 -6.397 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.258 -11.183 -6.404 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.649 -9.034 -4.353 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.528 -9.803 -5.459 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.863 -11.992 -5.095 1.00 10.00 H new ATOM 0 HE22 GLN A 55 5.033 -12.731 -3.499 1.00 10.00 H new ATOM 610 N GLY A 56 10.948 -11.024 -6.152 1.00 10.00 N ATOM 611 CA GLY A 56 11.908 -11.684 -7.014 1.00 10.00 C ATOM 612 C GLY A 56 11.635 -11.444 -8.484 1.00 10.00 C ATOM 613 O GLY A 56 11.784 -12.347 -9.310 1.00 10.00 O ATOM 0 H GLY A 56 11.264 -10.138 -5.757 1.00 10.00 H new ATOM 0 HA2 GLY A 56 12.910 -11.330 -6.772 1.00 10.00 H new ATOM 0 HA3 GLY A 56 11.892 -12.756 -6.816 1.00 10.00 H new ATOM 617 N VAL A 57 11.211 -10.231 -8.807 1.00 10.00 N ATOM 618 CA VAL A 57 10.922 -9.850 -10.182 1.00 10.00 C ATOM 619 C VAL A 57 11.420 -8.434 -10.447 1.00 10.00 C ATOM 620 O VAL A 57 11.496 -7.617 -9.531 1.00 10.00 O ATOM 621 CB VAL A 57 9.410 -9.919 -10.499 1.00 10.00 C ATOM 622 CG1 VAL A 57 8.995 -11.330 -10.878 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.584 -9.422 -9.323 1.00 10.00 C ATOM 0 H VAL A 57 11.058 -9.486 -8.127 1.00 10.00 H new ATOM 0 HA VAL A 57 11.438 -10.561 -10.827 1.00 10.00 H new ATOM 0 HB VAL A 57 9.221 -9.267 -11.352 1.00 10.00 H new ATOM 0 HG11 VAL A 57 7.927 -11.349 -11.096 1.00 10.00 H new ATOM 0 HG12 VAL A 57 9.551 -11.648 -11.760 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.209 -12.007 -10.051 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.524 -9.481 -9.572 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.786 -10.041 -8.449 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.848 -8.387 -9.104 1.00 10.00 H new ATOM 633 N PRO A 58 11.795 -8.128 -11.693 1.00 10.00 N ATOM 634 CA PRO A 58 12.266 -6.794 -12.058 1.00 10.00 C ATOM 635 C PRO A 58 11.110 -5.807 -12.171 1.00 10.00 C ATOM 636 O PRO A 58 9.951 -6.209 -12.278 1.00 10.00 O ATOM 637 CB PRO A 58 12.919 -7.021 -13.420 1.00 10.00 C ATOM 638 CG PRO A 58 12.182 -8.175 -14.003 1.00 10.00 C ATOM 639 CD PRO A 58 11.801 -9.055 -12.843 1.00 10.00 C ATOM 0 HA PRO A 58 12.942 -6.366 -11.318 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.835 -6.137 -14.052 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.982 -7.240 -13.318 1.00 10.00 H new ATOM 0 HG2 PRO A 58 11.298 -7.839 -14.545 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.805 -8.716 -14.715 1.00 10.00 H new ATOM 0 HD2 PRO A 58 10.824 -9.515 -12.992 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.517 -9.865 -12.702 1.00 10.00 H new ATOM 647 N MET A 59 11.415 -4.524 -12.134 1.00 10.00 N ATOM 648 CA MET A 59 10.389 -3.497 -12.246 1.00 10.00 C ATOM 649 C MET A 59 9.692 -3.577 -13.606 1.00 10.00 C ATOM 650 O MET A 59 10.304 -3.994 -14.592 1.00 10.00 O ATOM 651 CB MET A 59 11.009 -2.107 -12.029 1.00 10.00 C ATOM 652 CG MET A 59 10.303 -0.984 -12.777 1.00 10.00 C ATOM 653 SD MET A 59 10.254 0.559 -11.850 1.00 10.00 S ATOM 654 CE MET A 59 9.014 0.176 -10.619 1.00 10.00 C ATOM 0 H MET A 59 12.364 -4.165 -12.027 1.00 10.00 H new ATOM 0 HA MET A 59 9.638 -3.666 -11.474 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.000 -1.880 -10.963 1.00 10.00 H new ATOM 0 HB3 MET A 59 12.053 -2.135 -12.340 1.00 10.00 H new ATOM 0 HG2 MET A 59 10.809 -0.814 -13.727 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.284 -1.294 -13.009 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.308 0.605 -9.661 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.055 0.594 -10.926 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.922 -0.906 -10.519 1.00 10.00 H new ATOM 664 N ASN A 60 8.399 -3.223 -13.619 1.00 10.00 N ATOM 665 CA ASN A 60 7.565 -3.205 -14.836 1.00 10.00 C ATOM 666 C ASN A 60 6.995 -4.587 -15.161 1.00 10.00 C ATOM 667 O ASN A 60 6.360 -4.775 -16.198 1.00 10.00 O ATOM 668 CB ASN A 60 8.342 -2.646 -16.040 1.00 10.00 C ATOM 669 CG ASN A 60 7.440 -2.175 -17.163 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.551 -1.348 -16.962 1.00 10.00 O ATOM 671 ND2 ASN A 60 7.672 -2.692 -18.359 1.00 10.00 N ATOM 0 H ASN A 60 7.895 -2.938 -12.779 1.00 10.00 H new ATOM 0 HA ASN A 60 6.725 -2.541 -14.631 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.964 -1.815 -15.709 1.00 10.00 H new ATOM 0 HB3 ASN A 60 9.014 -3.415 -16.420 1.00 10.00 H new ATOM 0 HD21 ASN A 60 7.104 -2.407 -19.157 1.00 10.00 H new ATOM 0 HD22 ASN A 60 8.419 -3.375 -18.483 1.00 10.00 H new ATOM 678 N SER A 61 7.209 -5.550 -14.274 1.00 10.00 N ATOM 679 CA SER A 61 6.684 -6.893 -14.486 1.00 10.00 C ATOM 680 C SER A 61 5.289 -7.019 -13.876 1.00 10.00 C ATOM 681 O SER A 61 4.428 -7.728 -14.400 1.00 10.00 O ATOM 682 CB SER A 61 7.619 -7.938 -13.874 1.00 10.00 C ATOM 683 OG SER A 61 7.843 -7.677 -12.499 1.00 10.00 O ATOM 0 H SER A 61 7.737 -5.429 -13.410 1.00 10.00 H new ATOM 0 HA SER A 61 6.618 -7.070 -15.559 1.00 10.00 H new ATOM 0 HB2 SER A 61 7.187 -8.932 -13.993 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.570 -7.937 -14.407 1.00 10.00 H new ATOM 0 HG SER A 61 8.790 -7.472 -12.355 1.00 10.00 H new ATOM 689 N LEU A 62 5.075 -6.320 -12.769 1.00 10.00 N ATOM 690 CA LEU A 62 3.796 -6.348 -12.076 1.00 10.00 C ATOM 691 C LEU A 62 3.135 -4.977 -12.112 1.00 10.00 C ATOM 692 O LEU A 62 3.814 -3.947 -12.081 1.00 10.00 O ATOM 693 CB LEU A 62 3.986 -6.777 -10.618 1.00 10.00 C ATOM 694 CG LEU A 62 4.776 -8.071 -10.397 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.084 -8.254 -8.919 1.00 10.00 C ATOM 696 CD2 LEU A 62 4.009 -9.270 -10.934 1.00 10.00 C ATOM 0 H LEU A 62 5.776 -5.723 -12.330 1.00 10.00 H new ATOM 0 HA LEU A 62 3.155 -7.068 -12.585 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.491 -5.971 -10.086 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.002 -6.893 -10.163 1.00 10.00 H new ATOM 0 HG LEU A 62 5.716 -7.997 -10.943 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.646 -9.177 -8.776 1.00 10.00 H new ATOM 0 HD12 LEU A 62 5.676 -7.410 -8.563 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.152 -8.306 -8.357 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.589 -10.178 -10.766 1.00 10.00 H new ATOM 0 HD22 LEU A 62 3.052 -9.350 -10.418 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.836 -9.142 -12.003 1.00 10.00 H new ATOM 708 N ARG A 63 1.813 -4.967 -12.174 1.00 10.00 N ATOM 709 CA ARG A 63 1.061 -3.723 -12.195 1.00 10.00 C ATOM 710 C ARG A 63 0.172 -3.623 -10.958 1.00 10.00 C ATOM 711 O ARG A 63 -0.474 -4.595 -10.561 1.00 10.00 O ATOM 712 CB ARG A 63 0.213 -3.601 -13.471 1.00 10.00 C ATOM 713 CG ARG A 63 -0.903 -4.631 -13.590 1.00 10.00 C ATOM 714 CD ARG A 63 -1.851 -4.285 -14.728 1.00 10.00 C ATOM 715 NE ARG A 63 -2.934 -5.263 -14.867 1.00 10.00 N ATOM 716 CZ ARG A 63 -3.073 -6.082 -15.914 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.183 -6.070 -16.902 1.00 10.00 N ATOM 718 NH2 ARG A 63 -4.104 -6.921 -15.970 1.00 10.00 N ATOM 0 H ARG A 63 1.238 -5.808 -12.211 1.00 10.00 H new ATOM 0 HA ARG A 63 1.775 -2.900 -12.189 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.225 -2.604 -13.507 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.868 -3.692 -14.337 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.474 -5.619 -13.758 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.458 -4.680 -12.653 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.277 -3.297 -14.555 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.291 -4.232 -15.661 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.624 -5.322 -14.118 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.387 -5.433 -16.864 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.296 -6.698 -17.698 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.788 -6.939 -15.214 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -4.210 -7.546 -16.769 1.00 10.00 H new ATOM 732 N PHE A 64 0.165 -2.450 -10.345 1.00 10.00 N ATOM 733 CA PHE A 64 -0.639 -2.208 -9.157 1.00 10.00 C ATOM 734 C PHE A 64 -1.979 -1.606 -9.545 1.00 10.00 C ATOM 735 O PHE A 64 -2.032 -0.607 -10.266 1.00 10.00 O ATOM 736 CB PHE A 64 0.095 -1.270 -8.199 1.00 10.00 C ATOM 737 CG PHE A 64 1.257 -1.912 -7.500 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.522 -1.892 -8.065 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.083 -2.540 -6.277 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.593 -2.478 -7.421 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.149 -3.129 -5.628 1.00 10.00 C ATOM 742 CZ PHE A 64 3.406 -3.101 -6.203 1.00 10.00 C ATOM 0 H PHE A 64 0.711 -1.645 -10.653 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.809 -3.160 -8.654 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.451 -0.403 -8.755 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.609 -0.903 -7.452 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.672 -1.412 -9.021 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.102 -2.569 -5.827 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.575 -2.449 -7.869 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.002 -3.611 -4.673 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.241 -3.566 -5.700 1.00 10.00 H new ATOM 752 N LEU A 65 -3.051 -2.219 -9.075 1.00 10.00 N ATOM 753 CA LEU A 65 -4.391 -1.749 -9.374 1.00 10.00 C ATOM 754 C LEU A 65 -5.038 -1.157 -8.133 1.00 10.00 C ATOM 755 O LEU A 65 -5.130 -1.810 -7.090 1.00 10.00 O ATOM 756 CB LEU A 65 -5.257 -2.885 -9.927 1.00 10.00 C ATOM 757 CG LEU A 65 -4.819 -3.442 -11.286 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.774 -4.534 -11.742 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.748 -2.333 -12.328 1.00 10.00 C ATOM 0 H LEU A 65 -3.018 -3.048 -8.482 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.313 -0.972 -10.135 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.263 -3.700 -9.204 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.283 -2.528 -10.013 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.823 -3.871 -11.174 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.450 -4.920 -12.709 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.778 -5.343 -11.011 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.779 -4.123 -11.834 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.435 -2.752 -13.284 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.730 -1.873 -12.437 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -4.028 -1.580 -12.009 1.00 10.00 H new ATOM 771 N PHE A 66 -5.469 0.085 -8.257 1.00 10.00 N ATOM 772 CA PHE A 66 -6.116 0.795 -7.172 1.00 10.00 C ATOM 773 C PHE A 66 -7.303 1.572 -7.720 1.00 10.00 C ATOM 774 O PHE A 66 -7.141 2.389 -8.628 1.00 10.00 O ATOM 775 CB PHE A 66 -5.122 1.747 -6.499 1.00 10.00 C ATOM 776 CG PHE A 66 -5.639 2.384 -5.241 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.659 1.677 -4.051 1.00 10.00 C ATOM 778 CD2 PHE A 66 -6.092 3.693 -5.246 1.00 10.00 C ATOM 779 CE1 PHE A 66 -6.126 2.262 -2.892 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.563 4.282 -4.091 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.576 3.567 -2.912 1.00 10.00 C ATOM 0 H PHE A 66 -5.380 0.630 -9.115 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.466 0.081 -6.427 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.210 1.198 -6.267 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.851 2.531 -7.206 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.305 0.657 -4.030 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.076 4.259 -6.165 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -6.140 1.700 -1.970 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.921 5.301 -4.110 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.938 4.028 -2.005 1.00 10.00 H new ATOM 791 N GLU A 67 -8.491 1.287 -7.192 1.00 10.00 N ATOM 792 CA GLU A 67 -9.719 1.949 -7.629 1.00 10.00 C ATOM 793 C GLU A 67 -9.998 1.666 -9.103 1.00 10.00 C ATOM 794 O GLU A 67 -10.667 2.445 -9.781 1.00 10.00 O ATOM 795 CB GLU A 67 -9.635 3.462 -7.383 1.00 10.00 C ATOM 796 CG GLU A 67 -9.764 3.847 -5.919 1.00 10.00 C ATOM 797 CD GLU A 67 -11.153 3.595 -5.379 1.00 10.00 C ATOM 798 OE1 GLU A 67 -11.363 2.563 -4.708 1.00 10.00 O ATOM 799 OE2 GLU A 67 -12.048 4.429 -5.629 1.00 10.00 O ATOM 0 H GLU A 67 -8.630 0.596 -6.455 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.544 1.546 -7.042 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -8.683 3.832 -7.765 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.421 3.959 -7.952 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -9.040 3.281 -5.332 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.516 4.902 -5.800 1.00 10.00 H new ATOM 806 N GLY A 68 -9.473 0.548 -9.592 1.00 10.00 N ATOM 807 CA GLY A 68 -9.676 0.168 -10.976 1.00 10.00 C ATOM 808 C GLY A 68 -8.665 0.799 -11.922 1.00 10.00 C ATOM 809 O GLY A 68 -8.739 0.602 -13.132 1.00 10.00 O ATOM 0 H GLY A 68 -8.907 -0.105 -9.050 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.617 -0.917 -11.061 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.681 0.457 -11.282 1.00 10.00 H new ATOM 813 N GLN A 69 -7.728 1.560 -11.378 1.00 10.00 N ATOM 814 CA GLN A 69 -6.705 2.211 -12.189 1.00 10.00 C ATOM 815 C GLN A 69 -5.327 1.642 -11.871 1.00 10.00 C ATOM 816 O GLN A 69 -5.148 0.971 -10.855 1.00 10.00 O ATOM 817 CB GLN A 69 -6.712 3.720 -11.944 1.00 10.00 C ATOM 818 CG GLN A 69 -7.957 4.419 -12.463 1.00 10.00 C ATOM 819 CD GLN A 69 -7.826 5.929 -12.427 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.128 6.484 -11.578 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.484 6.604 -13.354 1.00 10.00 N ATOM 0 H GLN A 69 -7.653 1.744 -10.377 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.930 2.021 -13.238 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.622 3.905 -10.874 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.835 4.160 -12.419 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.152 4.098 -13.486 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.817 4.117 -11.865 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.052 6.107 -14.040 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.424 7.622 -13.383 1.00 10.00 H new ATOM 830 N ARG A 70 -4.356 1.911 -12.734 1.00 10.00 N ATOM 831 CA ARG A 70 -3.002 1.420 -12.519 1.00 10.00 C ATOM 832 C ARG A 70 -2.126 2.526 -11.943 1.00 10.00 C ATOM 833 O ARG A 70 -2.109 3.649 -12.447 1.00 10.00 O ATOM 834 CB ARG A 70 -2.399 0.857 -13.817 1.00 10.00 C ATOM 835 CG ARG A 70 -2.317 1.853 -14.963 1.00 10.00 C ATOM 836 CD ARG A 70 -1.926 1.171 -16.268 1.00 10.00 C ATOM 837 NE ARG A 70 -0.538 0.695 -16.259 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.151 -0.516 -16.683 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.041 -1.400 -17.116 1.00 10.00 N ATOM 840 NH2 ARG A 70 1.134 -0.842 -16.671 1.00 10.00 N ATOM 0 H ARG A 70 -4.479 2.462 -13.583 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.046 0.603 -11.799 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.397 0.485 -13.605 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -2.995 0.003 -14.138 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.280 2.349 -15.085 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.588 2.627 -14.723 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.594 0.329 -16.449 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.062 1.869 -17.094 1.00 10.00 H new ATOM 0 HE ARG A 70 0.180 1.328 -15.907 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.033 -1.161 -17.129 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -0.734 -2.318 -17.436 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.827 -0.171 -16.339 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.429 -1.763 -16.994 1.00 10.00 H new ATOM 854 N ILE A 71 -1.423 2.202 -10.870 1.00 10.00 N ATOM 855 CA ILE A 71 -0.548 3.155 -10.200 1.00 10.00 C ATOM 856 C ILE A 71 0.648 3.522 -11.074 1.00 10.00 C ATOM 857 O ILE A 71 1.404 2.648 -11.517 1.00 10.00 O ATOM 858 CB ILE A 71 -0.043 2.590 -8.853 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.221 2.298 -7.918 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.938 3.550 -8.191 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.087 3.506 -7.630 1.00 10.00 C ATOM 0 H ILE A 71 -1.441 1.277 -10.440 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.136 4.054 -10.014 1.00 10.00 H new ATOM 0 HB ILE A 71 0.481 1.656 -9.054 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.839 1.517 -8.361 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.837 1.905 -6.977 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.278 3.128 -7.245 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.794 3.705 -8.847 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.445 4.504 -8.006 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.899 3.220 -6.962 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.484 4.282 -7.158 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.502 3.887 -8.563 1.00 10.00 H new ATOM 873 N ALA A 72 0.817 4.816 -11.310 1.00 10.00 N ATOM 874 CA ALA A 72 1.917 5.313 -12.119 1.00 10.00 C ATOM 875 C ALA A 72 3.166 5.486 -11.264 1.00 10.00 C ATOM 876 O ALA A 72 3.119 5.346 -10.042 1.00 10.00 O ATOM 877 CB ALA A 72 1.535 6.627 -12.787 1.00 10.00 C ATOM 0 H ALA A 72 0.200 5.544 -10.949 1.00 10.00 H new ATOM 0 HA ALA A 72 2.133 4.584 -12.900 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.370 6.985 -13.389 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.667 6.471 -13.427 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.294 7.367 -12.024 1.00 10.00 H new ATOM 883 N ASP A 73 4.283 5.792 -11.905 1.00 10.00 N ATOM 884 CA ASP A 73 5.546 5.967 -11.192 1.00 10.00 C ATOM 885 C ASP A 73 5.638 7.353 -10.566 1.00 10.00 C ATOM 886 O ASP A 73 6.475 7.600 -9.700 1.00 10.00 O ATOM 887 CB ASP A 73 6.728 5.738 -12.134 1.00 10.00 C ATOM 888 CG ASP A 73 6.952 4.271 -12.445 1.00 10.00 C ATOM 889 OD1 ASP A 73 5.958 3.525 -12.564 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.121 3.860 -12.588 1.00 10.00 O ATOM 0 H ASP A 73 4.345 5.925 -12.914 1.00 10.00 H new ATOM 0 HA ASP A 73 5.582 5.228 -10.392 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.557 6.280 -13.064 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.631 6.152 -11.685 1.00 10.00 H new ATOM 895 N ASN A 74 4.772 8.251 -11.008 1.00 10.00 N ATOM 896 CA ASN A 74 4.750 9.615 -10.495 1.00 10.00 C ATOM 897 C ASN A 74 3.531 9.833 -9.603 1.00 10.00 C ATOM 898 O ASN A 74 3.005 10.943 -9.500 1.00 10.00 O ATOM 899 CB ASN A 74 4.748 10.620 -11.653 1.00 10.00 C ATOM 900 CG ASN A 74 3.598 10.397 -12.615 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.655 9.518 -13.475 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.551 11.193 -12.484 1.00 10.00 N ATOM 0 H ASN A 74 4.071 8.060 -11.724 1.00 10.00 H new ATOM 0 HA ASN A 74 5.648 9.772 -9.897 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.690 11.632 -11.251 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.691 10.546 -12.195 1.00 10.00 H new ATOM 0 HD21 ASN A 74 1.751 11.091 -13.109 1.00 10.00 H new ATOM 0 HD22 ASN A 74 2.543 11.910 -11.758 1.00 10.00 H new ATOM 909 N HIS A 75 3.095 8.768 -8.950 1.00 10.00 N ATOM 910 CA HIS A 75 1.938 8.835 -8.069 1.00 10.00 C ATOM 911 C HIS A 75 2.366 8.826 -6.603 1.00 10.00 C ATOM 912 O HIS A 75 3.421 8.294 -6.256 1.00 10.00 O ATOM 913 CB HIS A 75 0.993 7.657 -8.339 1.00 10.00 C ATOM 914 CG HIS A 75 -0.119 7.971 -9.295 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.698 6.993 -10.067 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.733 9.152 -9.545 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.647 7.597 -10.763 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.705 8.907 -10.480 1.00 10.00 N ATOM 0 H HIS A 75 3.525 7.845 -9.013 1.00 10.00 H new ATOM 0 HA HIS A 75 1.415 9.769 -8.273 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.573 6.823 -8.734 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.563 7.326 -7.394 1.00 10.00 H new ATOM 0 HD2 HIS A 75 -0.501 10.105 -9.094 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.294 7.098 -11.470 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -2.348 9.589 -10.883 1.00 10.00 H new ATOM 926 N THR A 76 1.543 9.424 -5.754 1.00 10.00 N ATOM 927 CA THR A 76 1.804 9.478 -4.322 1.00 10.00 C ATOM 928 C THR A 76 0.565 9.026 -3.548 1.00 10.00 C ATOM 929 O THR A 76 -0.551 9.155 -4.046 1.00 10.00 O ATOM 930 CB THR A 76 2.193 10.902 -3.871 1.00 10.00 C ATOM 931 OG1 THR A 76 1.351 11.869 -4.515 1.00 10.00 O ATOM 932 CG2 THR A 76 3.650 11.199 -4.189 1.00 10.00 C ATOM 0 H THR A 76 0.678 9.884 -6.037 1.00 10.00 H new ATOM 0 HA THR A 76 2.639 8.810 -4.113 1.00 10.00 H new ATOM 0 HB THR A 76 2.057 10.963 -2.791 1.00 10.00 H new ATOM 0 HG1 THR A 76 1.229 11.622 -5.455 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.896 12.209 -3.860 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.289 10.483 -3.671 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.812 11.118 -5.264 1.00 10.00 H new ATOM 940 N PRO A 77 0.739 8.501 -2.323 1.00 10.00 N ATOM 941 CA PRO A 77 -0.385 8.039 -1.487 1.00 10.00 C ATOM 942 C PRO A 77 -1.347 9.167 -1.108 1.00 10.00 C ATOM 943 O PRO A 77 -2.459 8.919 -0.638 1.00 10.00 O ATOM 944 CB PRO A 77 0.299 7.481 -0.230 1.00 10.00 C ATOM 945 CG PRO A 77 1.719 7.257 -0.617 1.00 10.00 C ATOM 946 CD PRO A 77 2.036 8.288 -1.659 1.00 10.00 C ATOM 0 HA PRO A 77 -0.999 7.310 -2.017 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.225 8.182 0.601 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.171 6.552 0.093 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.378 7.359 0.245 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.861 6.250 -1.010 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.417 9.207 -1.214 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.794 7.935 -2.358 1.00 10.00 H new ATOM 954 N LYS A 78 -0.913 10.405 -1.320 1.00 10.00 N ATOM 955 CA LYS A 78 -1.724 11.572 -0.999 1.00 10.00 C ATOM 956 C LYS A 78 -2.876 11.721 -1.988 1.00 10.00 C ATOM 957 O LYS A 78 -3.969 12.150 -1.623 1.00 10.00 O ATOM 958 CB LYS A 78 -0.856 12.836 -0.994 1.00 10.00 C ATOM 959 CG LYS A 78 -1.624 14.118 -0.703 1.00 10.00 C ATOM 960 CD LYS A 78 -2.234 14.118 0.694 1.00 10.00 C ATOM 961 CE LYS A 78 -1.168 14.103 1.779 1.00 10.00 C ATOM 962 NZ LYS A 78 -1.729 14.404 3.124 1.00 10.00 N ATOM 0 H LYS A 78 0.001 10.626 -1.715 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.147 11.433 -0.004 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.069 12.720 -0.249 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.366 12.931 -1.963 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.955 14.972 -0.805 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.415 14.242 -1.443 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.863 15.000 0.815 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -2.880 13.248 0.808 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.686 13.125 1.799 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.396 14.834 1.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.966 14.383 3.831 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.166 15.348 3.115 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.447 13.692 3.368 1.00 10.00 H new ATOM 976 N GLU A 79 -2.634 11.354 -3.237 1.00 10.00 N ATOM 977 CA GLU A 79 -3.662 11.457 -4.258 1.00 10.00 C ATOM 978 C GLU A 79 -4.389 10.128 -4.398 1.00 10.00 C ATOM 979 O GLU A 79 -4.019 9.152 -3.743 1.00 10.00 O ATOM 980 CB GLU A 79 -3.059 11.901 -5.597 1.00 10.00 C ATOM 981 CG GLU A 79 -2.124 10.885 -6.227 1.00 10.00 C ATOM 982 CD GLU A 79 -1.075 11.532 -7.103 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.439 12.176 -8.109 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.121 11.403 -6.786 1.00 10.00 O ATOM 0 H GLU A 79 -1.742 10.985 -3.565 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.383 12.216 -3.955 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.869 12.114 -6.295 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.515 12.834 -5.446 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.633 10.311 -5.441 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.705 10.180 -6.821 1.00 10.00 H new ATOM 991 N LEU A 80 -5.441 10.112 -5.222 1.00 10.00 N ATOM 992 CA LEU A 80 -6.252 8.913 -5.464 1.00 10.00 C ATOM 993 C LEU A 80 -7.149 8.599 -4.265 1.00 10.00 C ATOM 994 O LEU A 80 -8.314 8.239 -4.431 1.00 10.00 O ATOM 995 CB LEU A 80 -5.373 7.705 -5.808 1.00 10.00 C ATOM 996 CG LEU A 80 -4.565 7.839 -7.101 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.336 6.946 -7.057 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.428 7.496 -8.306 1.00 10.00 C ATOM 0 H LEU A 80 -5.756 10.931 -5.742 1.00 10.00 H new ATOM 0 HA LEU A 80 -6.891 9.122 -6.322 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.683 7.530 -4.983 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.008 6.823 -5.884 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.236 8.874 -7.195 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -2.774 7.055 -7.985 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.706 7.235 -6.215 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -3.645 5.907 -6.939 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.838 7.597 -9.217 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -5.786 6.470 -8.217 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.280 8.175 -8.349 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.607 8.740 -3.063 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.376 8.479 -1.867 1.00 10.00 C ATOM 1012 C GLY A 81 -6.951 7.199 -1.177 1.00 10.00 C ATOM 1013 O GLY A 81 -7.769 6.305 -0.957 1.00 10.00 O ATOM 0 H GLY A 81 -5.644 9.032 -2.897 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -7.265 9.315 -1.177 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.433 8.416 -2.124 1.00 10.00 H new ATOM 1017 N MET A 82 -5.672 7.110 -0.841 1.00 10.00 N ATOM 1018 CA MET A 82 -5.134 5.935 -0.165 1.00 10.00 C ATOM 1019 C MET A 82 -5.221 6.114 1.343 1.00 10.00 C ATOM 1020 O MET A 82 -4.796 7.141 1.875 1.00 10.00 O ATOM 1021 CB MET A 82 -3.681 5.693 -0.578 1.00 10.00 C ATOM 1022 CG MET A 82 -3.530 5.108 -1.971 1.00 10.00 C ATOM 1023 SD MET A 82 -1.825 4.680 -2.367 1.00 10.00 S ATOM 1024 CE MET A 82 -2.060 3.768 -3.891 1.00 10.00 C ATOM 0 H MET A 82 -4.984 7.840 -1.026 1.00 10.00 H new ATOM 0 HA MET A 82 -5.727 5.068 -0.457 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.137 6.636 -0.529 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.216 5.019 0.141 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.152 4.217 -2.056 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.899 5.826 -2.704 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.093 3.432 -4.267 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.697 2.903 -3.703 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.533 4.413 -4.632 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.785 5.128 2.027 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.922 5.198 3.473 1.00 10.00 C ATOM 1036 C GLU A 83 -5.329 3.967 4.155 1.00 10.00 C ATOM 1037 O GLU A 83 -4.805 3.068 3.499 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.395 5.349 3.854 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.720 6.704 4.458 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.859 7.017 5.663 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.702 6.131 6.530 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.338 8.149 5.751 1.00 10.00 O ATOM 0 H GLU A 83 -6.153 4.275 1.606 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.367 6.070 3.818 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -8.011 5.196 2.967 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.662 4.568 4.566 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.581 7.478 3.704 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.770 6.727 4.749 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.414 3.949 5.480 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.899 2.848 6.281 1.00 10.00 C ATOM 1051 C GLU A 84 -5.723 1.581 6.049 1.00 10.00 C ATOM 1052 O GLU A 84 -6.951 1.643 5.934 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.917 3.247 7.762 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.462 2.155 8.717 1.00 10.00 C ATOM 1055 CD GLU A 84 -3.081 1.628 8.389 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.112 2.413 8.437 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.959 0.426 8.090 1.00 10.00 O ATOM 0 H GLU A 84 -5.841 4.696 6.027 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.873 2.635 5.982 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.278 4.119 7.898 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.929 3.548 8.031 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.465 2.544 9.735 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -5.176 1.332 8.688 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.034 0.439 5.976 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.673 -0.860 5.752 1.00 10.00 C ATOM 1066 C GLU A 85 -6.393 -0.911 4.405 1.00 10.00 C ATOM 1067 O GLU A 85 -7.315 -1.703 4.220 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.660 -1.178 6.882 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.004 -1.704 8.150 1.00 10.00 C ATOM 1070 CD GLU A 85 -5.775 -3.201 8.111 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.607 -3.627 8.195 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.763 -3.956 8.005 1.00 10.00 O ATOM 0 H GLU A 85 -4.020 0.389 6.070 1.00 10.00 H new ATOM 0 HA GLU A 85 -4.884 -1.612 5.742 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.222 -0.276 7.124 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.379 -1.915 6.525 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.050 -1.198 8.297 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -6.631 -1.458 9.007 1.00 10.00 H new ATOM 1079 N ASP A 86 -5.973 -0.069 3.468 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.589 -0.041 2.146 1.00 10.00 C ATOM 1081 C ASP A 86 -6.226 -1.293 1.361 1.00 10.00 C ATOM 1082 O ASP A 86 -5.139 -1.851 1.539 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.154 1.200 1.373 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.313 1.882 0.679 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.291 1.191 0.318 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.256 3.115 0.497 1.00 10.00 O ATOM 0 H ASP A 86 -5.213 0.599 3.597 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.670 -0.009 2.279 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.679 1.903 2.057 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.405 0.920 0.633 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.130 -1.726 0.496 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.914 -2.920 -0.306 1.00 10.00 C ATOM 1093 C VAL A 87 -6.410 -2.574 -1.703 1.00 10.00 C ATOM 1094 O VAL A 87 -7.121 -1.964 -2.501 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.210 -3.753 -0.426 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.991 -4.987 -1.289 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.716 -4.149 0.952 1.00 10.00 C ATOM 0 H VAL A 87 -8.025 -1.265 0.331 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.153 -3.509 0.206 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.965 -3.134 -0.911 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.920 -5.554 -1.356 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.680 -4.682 -2.288 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.217 -5.611 -0.842 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.629 -4.735 0.850 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.958 -4.744 1.461 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.924 -3.252 1.535 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.180 -2.968 -1.987 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.579 -2.728 -3.288 1.00 10.00 C ATOM 1109 C ILE A 88 -4.222 -4.068 -3.926 1.00 10.00 C ATOM 1110 O ILE A 88 -3.817 -5.003 -3.235 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.331 -1.813 -3.183 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.761 -1.517 -4.573 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.267 -2.437 -2.291 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.706 -0.433 -4.577 1.00 10.00 C ATOM 0 H ILE A 88 -4.575 -3.459 -1.329 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.300 -2.205 -3.917 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.642 -0.872 -2.729 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.332 -2.431 -4.983 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.575 -1.222 -5.235 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.404 -1.774 -2.236 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.673 -2.588 -1.291 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.961 -3.397 -2.707 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.348 -0.277 -5.595 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.136 0.494 -4.198 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.873 -0.734 -3.941 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.396 -4.180 -5.232 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.112 -5.429 -5.924 1.00 10.00 C ATOM 1128 C GLU A 89 -2.895 -5.306 -6.825 1.00 10.00 C ATOM 1129 O GLU A 89 -2.578 -4.223 -7.320 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.323 -5.852 -6.751 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.572 -6.081 -5.921 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.824 -6.119 -6.767 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.156 -7.203 -7.290 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.482 -5.067 -6.912 1.00 10.00 O ATOM 0 H GLU A 89 -4.731 -3.427 -5.833 1.00 10.00 H new ATOM 0 HA GLU A 89 -3.898 -6.186 -5.170 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.528 -5.086 -7.498 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.082 -6.768 -7.291 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.476 -7.020 -5.376 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.662 -5.289 -5.178 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.217 -6.424 -7.033 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.043 -6.465 -7.887 1.00 10.00 C ATOM 1143 C VAL A 90 -1.103 -7.700 -8.783 1.00 10.00 C ATOM 1144 O VAL A 90 -1.283 -8.821 -8.308 1.00 10.00 O ATOM 1145 CB VAL A 90 0.270 -6.454 -7.063 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.333 -7.635 -6.105 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.480 -6.441 -7.984 1.00 10.00 C ATOM 0 H VAL A 90 -2.464 -7.322 -6.617 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.042 -5.567 -8.505 1.00 10.00 H new ATOM 0 HB VAL A 90 0.282 -5.542 -6.465 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.266 -7.598 -5.542 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.509 -7.589 -5.415 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.288 -8.565 -6.671 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.392 -6.433 -7.387 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.467 -7.330 -8.615 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.450 -5.550 -8.612 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.995 -7.486 -10.084 1.00 10.00 N ATOM 1158 CA TYR A 91 -1.049 -8.583 -11.040 1.00 10.00 C ATOM 1159 C TYR A 91 0.098 -8.478 -12.033 1.00 10.00 C ATOM 1160 O TYR A 91 0.643 -7.395 -12.242 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.391 -8.587 -11.778 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.583 -8.760 -10.861 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.796 -9.954 -10.182 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.490 -7.726 -10.667 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.879 -10.114 -9.340 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.576 -7.879 -9.825 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.765 -9.073 -9.164 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.845 -9.229 -8.326 1.00 10.00 O ATOM 0 H TYR A 91 -0.870 -6.565 -10.503 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.952 -9.521 -10.493 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.498 -7.651 -12.327 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.389 -9.391 -12.515 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.102 -10.771 -10.315 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.345 -6.788 -11.182 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.031 -11.050 -8.822 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.273 -7.066 -9.686 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.353 -8.392 -8.287 1.00 10.00 H new ATOM 1178 N GLN A 92 0.456 -9.599 -12.642 1.00 10.00 N ATOM 1179 CA GLN A 92 1.546 -9.628 -13.608 1.00 10.00 C ATOM 1180 C GLN A 92 1.106 -9.033 -14.940 1.00 10.00 C ATOM 1181 O GLN A 92 -0.014 -9.270 -15.401 1.00 10.00 O ATOM 1182 CB GLN A 92 2.040 -11.065 -13.797 1.00 10.00 C ATOM 1183 CG GLN A 92 3.287 -11.187 -14.657 1.00 10.00 C ATOM 1184 CD GLN A 92 4.228 -12.270 -14.165 1.00 10.00 C ATOM 1185 OE1 GLN A 92 5.139 -12.011 -13.383 1.00 10.00 O ATOM 1186 NE2 GLN A 92 4.012 -13.495 -14.613 1.00 10.00 N ATOM 0 H GLN A 92 0.008 -10.502 -12.485 1.00 10.00 H new ATOM 0 HA GLN A 92 2.366 -9.022 -13.224 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.244 -11.499 -12.818 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.242 -11.655 -14.248 1.00 10.00 H new ATOM 0 HG2 GLN A 92 2.996 -11.403 -15.685 1.00 10.00 H new ATOM 0 HG3 GLN A 92 3.812 -10.232 -14.668 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.245 -13.673 -15.262 1.00 10.00 H new ATOM 0 HE22 GLN A 92 4.612 -14.262 -14.310 1.00 10.00 H new ATOM 1195 N GLU A 93 1.990 -8.251 -15.542 1.00 10.00 N ATOM 1196 CA GLU A 93 1.719 -7.608 -16.817 1.00 10.00 C ATOM 1197 C GLU A 93 1.945 -8.579 -17.969 1.00 10.00 C ATOM 1198 O GLU A 93 2.820 -9.445 -17.902 1.00 10.00 O ATOM 1199 CB GLU A 93 2.620 -6.383 -16.991 1.00 10.00 C ATOM 1200 CG GLU A 93 2.149 -5.164 -16.215 1.00 10.00 C ATOM 1201 CD GLU A 93 1.231 -4.277 -17.030 1.00 10.00 C ATOM 1202 OE1 GLU A 93 0.035 -4.608 -17.163 1.00 10.00 O ATOM 1203 OE2 GLU A 93 1.703 -3.248 -17.547 1.00 10.00 O ATOM 0 H GLU A 93 2.913 -8.045 -15.160 1.00 10.00 H new ATOM 0 HA GLU A 93 0.676 -7.292 -16.825 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.631 -6.638 -16.672 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.674 -6.130 -18.050 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.629 -5.489 -15.314 1.00 10.00 H new ATOM 0 HG3 GLU A 93 3.015 -4.586 -15.892 1.00 10.00 H new ATOM 1210 N GLN A 94 1.168 -8.414 -19.031 1.00 10.00 N ATOM 1211 CA GLN A 94 1.277 -9.264 -20.210 1.00 10.00 C ATOM 1212 C GLN A 94 2.575 -8.959 -20.959 1.00 10.00 C ATOM 1213 O GLN A 94 3.010 -9.727 -21.818 1.00 10.00 O ATOM 1214 CB GLN A 94 0.069 -9.042 -21.124 1.00 10.00 C ATOM 1215 CG GLN A 94 -0.071 -10.070 -22.234 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.230 -9.764 -23.162 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.601 -8.606 -23.357 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.812 -10.801 -23.740 1.00 10.00 N ATOM 0 H GLN A 94 0.450 -7.693 -19.100 1.00 10.00 H new ATOM 0 HA GLN A 94 1.294 -10.308 -19.897 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.837 -9.052 -20.518 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.143 -8.050 -21.570 1.00 10.00 H new ATOM 0 HG2 GLN A 94 0.853 -10.106 -22.811 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.211 -11.058 -21.795 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.475 -11.745 -23.552 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.598 -10.657 -24.374 1.00 10.00 H new ATOM 1227 N THR A 95 3.181 -7.825 -20.629 1.00 10.00 N ATOM 1228 CA THR A 95 4.430 -7.407 -21.247 1.00 10.00 C ATOM 1229 C THR A 95 5.613 -8.179 -20.665 1.00 10.00 C ATOM 1230 O THR A 95 6.700 -8.196 -21.242 1.00 10.00 O ATOM 1231 CB THR A 95 4.655 -5.897 -21.042 1.00 10.00 C ATOM 1232 OG1 THR A 95 3.905 -5.445 -19.902 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.236 -5.113 -22.275 1.00 10.00 C ATOM 0 H THR A 95 2.822 -7.174 -19.930 1.00 10.00 H new ATOM 0 HA THR A 95 4.360 -7.620 -22.314 1.00 10.00 H new ATOM 0 HB THR A 95 5.718 -5.728 -20.872 1.00 10.00 H new ATOM 0 HG1 THR A 95 4.052 -4.485 -19.774 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.405 -4.050 -22.105 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.824 -5.441 -23.132 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.178 -5.285 -22.474 1.00 10.00 H new ATOM 1241 N GLY A 96 5.397 -8.809 -19.512 1.00 10.00 N ATOM 1242 CA GLY A 96 6.454 -9.570 -18.866 1.00 10.00 C ATOM 1243 C GLY A 96 7.402 -8.686 -18.077 1.00 10.00 C ATOM 1244 O GLY A 96 7.739 -8.984 -16.932 1.00 10.00 O ATOM 0 H GLY A 96 4.507 -8.806 -19.013 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.010 -10.309 -18.199 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.017 -10.119 -19.621 1.00 10.00 H new ATOM 1248 N GLY A 97 7.838 -7.604 -18.702 1.00 10.00 N ATOM 1249 CA GLY A 97 8.745 -6.676 -18.067 1.00 10.00 C ATOM 1250 C GLY A 97 9.278 -5.681 -19.072 1.00 10.00 C ATOM 1251 O GLY A 97 9.622 -4.550 -18.681 1.00 10.00 O ATOM 0 H GLY A 97 7.574 -7.350 -19.654 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.231 -6.149 -17.263 1.00 10.00 H new ATOM 0 HA3 GLY A 97 9.572 -7.221 -17.613 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -5.464 -15.526 6.107 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.671 -15.353 7.341 1.00 10.00 C ATOM 1258 C ASN B 357 -3.186 -15.438 7.019 1.00 10.00 C ATOM 1259 O ASN B 357 -2.459 -16.257 7.576 1.00 10.00 O ATOM 1260 CB ASN B 357 -5.051 -16.406 8.396 1.00 10.00 C ATOM 1261 CG ASN B 357 -4.587 -16.023 9.787 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -3.709 -15.182 9.954 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -5.179 -16.633 10.793 1.00 10.00 N ATOM 0 HA ASN B 357 -4.891 -14.369 7.755 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -6.133 -16.538 8.400 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.614 -17.366 8.121 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -4.912 -16.412 11.752 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -5.905 -17.327 10.613 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.740 -14.609 6.095 1.00 10.00 N ATOM 1271 CA ASN B 358 -1.335 -14.587 5.720 1.00 10.00 C ATOM 1272 C ASN B 358 -0.804 -13.189 5.958 1.00 10.00 C ATOM 1273 O ASN B 358 -1.351 -12.224 5.432 1.00 10.00 O ATOM 1274 CB ASN B 358 -1.189 -14.975 4.244 1.00 10.00 C ATOM 1275 CG ASN B 358 0.253 -15.121 3.786 1.00 10.00 C ATOM 1276 OD1 ASN B 358 1.165 -14.511 4.333 1.00 10.00 O ATOM 1277 ND2 ASN B 358 0.459 -15.934 2.762 1.00 10.00 N ATOM 0 H ASN B 358 -3.326 -13.943 5.591 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.768 -15.301 6.317 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -1.712 -15.916 4.072 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -1.681 -14.221 3.630 1.00 10.00 H new ATOM 0 HD21 ASN B 358 1.403 -16.071 2.401 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -0.326 -16.424 2.334 1.00 10.00 H new ATOM 1284 N ARG B 359 0.247 -13.063 6.753 1.00 10.00 N ATOM 1285 CA ARG B 359 0.788 -11.744 7.014 1.00 10.00 C ATOM 1286 C ARG B 359 2.261 -11.626 6.644 1.00 10.00 C ATOM 1287 O ARG B 359 3.110 -12.386 7.124 1.00 10.00 O ATOM 1288 CB ARG B 359 0.605 -11.402 8.497 1.00 10.00 C ATOM 1289 CG ARG B 359 1.252 -12.405 9.437 1.00 10.00 C ATOM 1290 CD ARG B 359 1.183 -11.948 10.880 1.00 10.00 C ATOM 1291 NE ARG B 359 1.796 -12.919 11.780 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.657 -12.903 13.103 1.00 10.00 C ATOM 1293 NH1 ARG B 359 0.931 -11.953 13.682 1.00 10.00 N ATOM 1294 NH2 ARG B 359 2.244 -13.832 13.845 1.00 10.00 N ATOM 0 H ARG B 359 0.729 -13.834 7.215 1.00 10.00 H new ATOM 0 HA ARG B 359 0.241 -11.041 6.386 1.00 10.00 H new ATOM 0 HB2 ARG B 359 1.025 -10.414 8.688 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.461 -11.344 8.719 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.755 -13.370 9.337 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.294 -12.552 9.151 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.687 -10.987 10.983 1.00 10.00 H new ATOM 0 HD3 ARG B 359 0.142 -11.794 11.164 1.00 10.00 H new ATOM 0 HE ARG B 359 2.367 -13.657 11.369 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.481 -11.237 13.112 1.00 10.00 H new ATOM 0 HH12 ARG B 359 0.824 -11.940 14.696 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.803 -14.561 13.402 1.00 10.00 H new ATOM 0 HH22 ARG B 359 2.136 -13.818 14.859 1.00 10.00 H new ATOM 1308 N ASP B 360 2.553 -10.680 5.773 1.00 10.00 N ATOM 1309 CA ASP B 360 3.925 -10.372 5.405 1.00 10.00 C ATOM 1310 C ASP B 360 4.113 -8.869 5.565 1.00 10.00 C ATOM 1311 O ASP B 360 3.324 -8.101 5.018 1.00 10.00 O ATOM 1312 CB ASP B 360 4.254 -10.835 3.981 1.00 10.00 C ATOM 1313 CG ASP B 360 5.726 -10.672 3.652 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.107 -9.601 3.146 1.00 10.00 O ATOM 1315 OD2 ASP B 360 6.511 -11.614 3.900 1.00 10.00 O ATOM 0 H ASP B 360 1.853 -10.106 5.302 1.00 10.00 H new ATOM 0 HA ASP B 360 4.615 -10.910 6.055 1.00 10.00 H new ATOM 0 HB2 ASP B 360 3.971 -11.881 3.866 1.00 10.00 H new ATOM 0 HB3 ASP B 360 3.659 -10.264 3.268 1.00 10.00 H new ATOM 1320 N PRO B 361 5.147 -8.407 6.288 1.00 10.00 N ATOM 1321 CA PRO B 361 5.356 -6.988 6.491 1.00 10.00 C ATOM 1322 C PRO B 361 6.600 -6.439 5.784 1.00 10.00 C ATOM 1323 O PRO B 361 7.712 -6.942 5.941 1.00 10.00 O ATOM 1324 CB PRO B 361 5.564 -6.974 8.011 1.00 10.00 C ATOM 1325 CG PRO B 361 6.289 -8.263 8.306 1.00 10.00 C ATOM 1326 CD PRO B 361 6.075 -9.182 7.116 1.00 10.00 C ATOM 0 HA PRO B 361 4.547 -6.371 6.099 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.149 -6.109 8.323 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.613 -6.923 8.541 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.352 -8.079 8.464 1.00 10.00 H new ATOM 0 HG3 PRO B 361 5.906 -8.720 9.218 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.007 -9.394 6.593 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.651 -10.141 7.414 1.00 10.00 H new ATOM 1334 N ILE B 362 6.390 -5.370 5.026 1.00 10.00 N ATOM 1335 CA ILE B 362 7.458 -4.716 4.277 1.00 10.00 C ATOM 1336 C ILE B 362 7.630 -3.293 4.785 1.00 10.00 C ATOM 1337 O ILE B 362 6.648 -2.579 5.001 1.00 10.00 O ATOM 1338 CB ILE B 362 7.199 -4.669 2.755 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.543 -5.964 2.258 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.508 -4.414 2.006 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.255 -5.947 0.774 1.00 10.00 C ATOM 0 H ILE B 362 5.476 -4.932 4.913 1.00 10.00 H new ATOM 0 HA ILE B 362 8.359 -5.309 4.435 1.00 10.00 H new ATOM 0 HB ILE B 362 6.509 -3.849 2.556 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.196 -6.807 2.486 1.00 10.00 H new ATOM 0 HG13 ILE B 362 5.612 -6.125 2.802 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.314 -4.383 0.934 1.00 10.00 H new ATOM 0 HG22 ILE B 362 8.931 -3.462 2.326 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.214 -5.216 2.224 1.00 10.00 H new ATOM 0 HD11 ILE B 362 5.792 -6.890 0.482 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.579 -5.124 0.544 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.187 -5.816 0.224 1.00 10.00 H new ATOM 1353 N VAL B 363 8.872 -2.883 4.979 1.00 10.00 N ATOM 1354 CA VAL B 363 9.166 -1.559 5.500 1.00 10.00 C ATOM 1355 C VAL B 363 9.877 -0.714 4.449 1.00 10.00 C ATOM 1356 O VAL B 363 10.808 -1.164 3.783 1.00 10.00 O ATOM 1357 CB VAL B 363 10.036 -1.635 6.772 1.00 10.00 C ATOM 1358 CG1 VAL B 363 10.152 -0.268 7.427 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.464 -2.648 7.753 1.00 10.00 C ATOM 0 H VAL B 363 9.696 -3.451 4.783 1.00 10.00 H new ATOM 0 HA VAL B 363 8.215 -1.092 5.757 1.00 10.00 H new ATOM 0 HB VAL B 363 11.034 -1.962 6.482 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.770 -0.345 8.322 1.00 10.00 H new ATOM 0 HG12 VAL B 363 10.610 0.432 6.729 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.159 0.090 7.701 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.092 -2.687 8.643 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.453 -2.352 8.034 1.00 10.00 H new ATOM 0 HG23 VAL B 363 9.437 -3.632 7.285 1.00 10.00 H new ATOM 1369 N ILE B 364 9.404 0.509 4.304 1.00 10.00 N ATOM 1370 CA ILE B 364 9.928 1.445 3.331 1.00 10.00 C ATOM 1371 C ILE B 364 10.547 2.655 4.016 1.00 10.00 C ATOM 1372 O ILE B 364 10.071 3.117 5.056 1.00 10.00 O ATOM 1373 CB ILE B 364 8.868 1.896 2.296 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.560 2.225 0.972 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.067 3.101 2.788 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.059 1.002 0.228 1.00 10.00 C ATOM 0 H ILE B 364 8.638 0.883 4.864 1.00 10.00 H new ATOM 0 HA ILE B 364 10.703 0.912 2.781 1.00 10.00 H new ATOM 0 HB ILE B 364 8.163 1.077 2.153 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.864 2.770 0.334 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.401 2.890 1.167 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.335 3.385 2.032 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.552 2.842 3.713 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.742 3.937 2.971 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.538 1.312 -0.701 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.779 0.468 0.848 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.219 0.346 0.001 1.00 10.00 H new HETATM 1388 N SEP B 365 11.626 3.134 3.439 1.00 10.00 N HETATM 1389 CA SEP B 365 12.360 4.264 3.964 1.00 10.00 C HETATM 1390 CB SEP B 365 13.853 3.938 4.011 1.00 10.00 C HETATM 1391 OG SEP B 365 14.131 2.739 3.297 1.00 10.00 O HETATM 1392 C SEP B 365 12.093 5.458 3.066 1.00 10.00 C HETATM 1393 O SEP B 365 12.054 5.333 1.843 1.00 10.00 O HETATM 1394 P SEP B 365 14.665 2.799 1.790 1.00 10.00 P HETATM 1395 O1P SEP B 365 15.556 1.683 1.425 1.00 10.00 O HETATM 1396 O2P SEP B 365 15.166 4.122 1.378 1.00 10.00 O HETATM 1397 O3P SEP B 365 13.367 2.573 0.887 1.00 10.00 O HETATM 0 HB3 SEP B 365 14.423 4.762 3.583 1.00 10.00 H new HETATM 0 HB2 SEP B 365 14.174 3.832 5.047 1.00 10.00 H new HETATM 0 HA SEP B 365 12.038 4.493 4.980 1.00 10.00 H new HETATM 0 H SEP B 365 12.122 2.285 3.167 1.00 10.00 H new ATOM 1402 N ASP B 366 11.874 6.609 3.679 1.00 10.00 N ATOM 1403 CA ASP B 366 11.510 7.802 2.937 1.00 10.00 C ATOM 1404 C ASP B 366 12.634 8.820 2.941 1.00 10.00 C ATOM 1405 O ASP B 366 13.180 9.174 3.990 1.00 10.00 O ATOM 1406 CB ASP B 366 10.257 8.411 3.576 1.00 10.00 C ATOM 1407 CG ASP B 366 10.012 9.852 3.179 1.00 10.00 C ATOM 1408 OD1 ASP B 366 10.171 10.743 4.044 1.00 10.00 O ATOM 1409 OD2 ASP B 366 9.634 10.091 2.020 1.00 10.00 O ATOM 0 H ASP B 366 11.942 6.742 4.688 1.00 10.00 H new ATOM 0 HA ASP B 366 11.316 7.527 1.900 1.00 10.00 H new ATOM 0 HB2 ASP B 366 9.390 7.813 3.296 1.00 10.00 H new ATOM 0 HB3 ASP B 366 10.348 8.352 4.661 1.00 10.00 H new HETATM 1414 N SEP B 367 12.965 9.268 1.741 1.00 10.00 N HETATM 1415 CA SEP B 367 14.029 10.231 1.521 1.00 10.00 C HETATM 1416 CB SEP B 367 14.126 10.542 0.025 1.00 10.00 C HETATM 1417 OG SEP B 367 14.815 9.510 -0.680 1.00 10.00 O HETATM 1418 C SEP B 367 13.813 11.515 2.326 1.00 10.00 C HETATM 1419 O SEP B 367 12.711 12.066 2.348 1.00 10.00 O HETATM 1420 P SEP B 367 14.039 8.235 -1.266 1.00 10.00 P HETATM 1421 O1P SEP B 367 12.730 7.965 -0.647 1.00 10.00 O HETATM 1422 O2P SEP B 367 14.027 8.162 -2.740 1.00 10.00 O HETATM 1423 O3P SEP B 367 14.939 6.992 -0.820 1.00 10.00 O HETATM 0 HB3 SEP B 367 13.125 10.661 -0.389 1.00 10.00 H new HETATM 0 HB2 SEP B 367 14.644 11.490 -0.118 1.00 10.00 H new HETATM 0 HA SEP B 367 14.965 9.794 1.867 1.00 10.00 H new HETATM 0 H SEP B 367 12.425 8.915 0.951 1.00 10.00 H new ATOM 1428 N PRO B 368 14.866 11.983 3.025 1.00 10.00 N ATOM 1429 CA PRO B 368 14.818 13.205 3.840 1.00 10.00 C ATOM 1430 C PRO B 368 14.298 14.409 3.066 1.00 10.00 C ATOM 1431 O PRO B 368 13.257 14.969 3.467 1.00 10.00 O ATOM 1432 CB PRO B 368 16.277 13.425 4.242 1.00 10.00 C ATOM 1433 CG PRO B 368 16.896 12.075 4.187 1.00 10.00 C ATOM 1434 CD PRO B 368 16.193 11.340 3.080 1.00 10.00 C ATOM 0 HA PRO B 368 14.137 13.096 4.684 1.00 10.00 H new ATOM 0 HB2 PRO B 368 16.775 14.116 3.561 1.00 10.00 H new ATOM 0 HB3 PRO B 368 16.351 13.853 5.242 1.00 10.00 H new ATOM 0 HG2 PRO B 368 17.966 12.144 3.991 1.00 10.00 H new ATOM 0 HG3 PRO B 368 16.779 11.553 5.137 1.00 10.00 H new ATOM 0 HD2 PRO B 368 16.725 11.437 2.134 1.00 10.00 H new ATOM 0 HD3 PRO B 368 16.114 10.274 3.294 1.00 10.00 H new TER 1442 PRO B 368