USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 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 93 ASN : amide:sc= -0.559 K(o=-0.98,f=-9.2!) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= -0.417 USER MOD Set 2.1: A 59 MET CE :methyl -112:sc= -1.22 (180deg=-1.64) USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= -0.107 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot -136:sc= -0.35! USER MOD Set 3.2: A 55 SER OG : rot -142:sc= 0.3 USER MOD Set 4.1: A 19 ASN : amide:sc= -0.138 K(o=-0.43,f=0.64) USER MOD Set 4.2: A 28 THR OG1 : rot -140:sc= -0.29 USER MOD Set 4.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -31:sc= 0.0254 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0394 (180deg=-0.251) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 143:sc= 0.221! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.32! (180deg=-1.58!) USER MOD Single : A 38 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=0.96) USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 44 THR OG1 : rot -18:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.303 (180deg=0.228) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -174:sc= 0 (180deg=-0.0308) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc=-0.00368 K(o=-0.0037,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 49:sc= 0.237 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -124:sc= -0.806 (180deg=-3.87!) USER MOD Single : A 99 ASN : amide:sc= 0.419 X(o=0.42,f=-0.033) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -165:sc= -0.0551 (180deg=-0.351) USER MOD Single : A 103 THR OG1 : rot 78:sc= 0.458 USER MOD Single : A 105 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.031) USER MOD Single : A 106 GLN : amide:sc= -0.709 K(o=-0.71,f=0) USER MOD Single : A 109 SER OG : rot -91:sc= 0.725 USER MOD Single : A 111 TYR OH : rot -120:sc= -0.423 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.044 -2.716 -0.268 1.00 25.00 N ATOM 47 CA SER A 4 15.819 -2.579 1.161 1.00 25.00 C ATOM 48 C SER A 4 16.158 -1.168 1.639 1.00 25.00 C ATOM 49 O SER A 4 16.941 -0.457 1.002 1.00 25.00 O ATOM 50 CB SER A 4 16.676 -3.601 1.913 1.00 25.00 C ATOM 51 OG SER A 4 18.058 -3.340 1.739 1.00 25.00 O ATOM 0 HA SER A 4 14.764 -2.761 1.363 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.429 -3.575 2.974 1.00 25.00 H new ATOM 0 HB3 SER A 4 16.445 -4.605 1.557 1.00 25.00 H new ATOM 0 HG SER A 4 18.206 -2.932 0.860 1.00 25.00 H new ATOM 57 N GLY A 5 15.559 -0.781 2.769 1.00 25.00 N ATOM 58 CA GLY A 5 15.812 0.522 3.359 1.00 25.00 C ATOM 59 C GLY A 5 15.255 0.624 4.764 1.00 25.00 C ATOM 60 O GLY A 5 15.490 -0.260 5.590 1.00 25.00 O ATOM 0 H GLY A 5 14.896 -1.357 3.288 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.886 0.709 3.380 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.366 1.296 2.735 1.00 25.00 H new ATOM 64 N ALA A 6 14.522 1.709 5.034 1.00 25.00 N ATOM 65 CA ALA A 6 13.851 1.892 6.322 1.00 25.00 C ATOM 66 C ALA A 6 12.400 2.320 6.119 1.00 25.00 C ATOM 67 O ALA A 6 12.123 3.247 5.351 1.00 25.00 O ATOM 68 CB ALA A 6 14.581 2.916 7.179 1.00 25.00 C ATOM 0 H ALA A 6 14.379 2.474 4.375 1.00 25.00 H new ATOM 0 HA ALA A 6 13.865 0.934 6.842 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.061 3.032 8.130 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.600 2.577 7.362 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.605 3.874 6.660 1.00 25.00 H new ATOM 74 N ALA A 7 11.477 1.636 6.807 1.00 25.00 N ATOM 75 CA ALA A 7 10.044 1.926 6.690 1.00 25.00 C ATOM 76 C ALA A 7 9.325 1.769 8.031 1.00 25.00 C ATOM 77 O ALA A 7 9.743 0.981 8.881 1.00 25.00 O ATOM 78 CB ALA A 7 9.409 1.017 5.647 1.00 25.00 C ATOM 0 H ALA A 7 11.699 0.877 7.451 1.00 25.00 H new ATOM 0 HA ALA A 7 9.940 2.965 6.376 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.345 1.241 5.568 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.887 1.182 4.681 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.540 -0.024 5.943 1.00 25.00 H new ATOM 84 N ILE A 8 8.238 2.529 8.201 1.00 25.00 N ATOM 85 CA ILE A 8 7.406 2.471 9.409 1.00 25.00 C ATOM 86 C ILE A 8 6.026 1.900 9.047 1.00 25.00 C ATOM 87 O ILE A 8 5.404 2.332 8.074 1.00 25.00 O ATOM 88 CB ILE A 8 7.256 3.882 10.076 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.640 4.449 10.463 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.341 3.823 11.311 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.653 5.926 10.815 1.00 25.00 C ATOM 0 H ILE A 8 7.910 3.201 7.507 1.00 25.00 H new ATOM 0 HA ILE A 8 7.895 1.821 10.134 1.00 25.00 H new ATOM 0 HB ILE A 8 6.795 4.547 9.345 1.00 25.00 H new ATOM 0 HG12 ILE A 8 9.022 3.885 11.314 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.329 4.282 9.635 1.00 25.00 H new ATOM 0 HG21 ILE A 8 6.258 4.817 11.750 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.352 3.473 11.015 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.764 3.137 12.045 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.668 6.230 11.072 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.306 6.507 9.960 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.995 6.103 11.665 1.00 25.00 H new ATOM 103 N PHE A 9 5.563 0.929 9.840 1.00 25.00 N ATOM 104 CA PHE A 9 4.282 0.260 9.599 1.00 25.00 C ATOM 105 C PHE A 9 3.537 0.074 10.916 1.00 25.00 C ATOM 106 O PHE A 9 4.000 -0.638 11.802 1.00 25.00 O ATOM 107 CB PHE A 9 4.518 -1.094 8.894 1.00 25.00 C ATOM 108 CG PHE A 9 3.270 -1.830 8.453 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.580 -1.426 7.319 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.786 -2.913 9.176 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.433 -2.086 6.916 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.644 -3.576 8.775 1.00 25.00 C ATOM 113 CZ PHE A 9 0.989 -3.200 7.642 1.00 25.00 C ATOM 0 H PHE A 9 6.062 0.587 10.661 1.00 25.00 H new ATOM 0 HA PHE A 9 3.667 0.879 8.946 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.145 -0.923 8.019 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.080 -1.741 9.568 1.00 25.00 H new ATOM 0 HD1 PHE A 9 2.943 -0.587 6.744 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.310 -3.240 10.062 1.00 25.00 H new ATOM 0 HE1 PHE A 9 0.885 -1.746 6.050 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.267 -4.399 9.364 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.129 -3.759 7.303 1.00 25.00 H new ATOM 123 N GLU A 10 2.369 0.728 11.024 1.00 25.00 N ATOM 124 CA GLU A 10 1.526 0.721 12.247 1.00 25.00 C ATOM 125 C GLU A 10 2.241 1.392 13.438 1.00 25.00 C ATOM 126 O GLU A 10 2.159 0.936 14.587 1.00 25.00 O ATOM 127 CB GLU A 10 1.065 -0.705 12.612 1.00 25.00 C ATOM 128 CG GLU A 10 0.195 -1.353 11.546 1.00 25.00 C ATOM 129 CD GLU A 10 -0.192 -2.778 11.892 1.00 25.00 C ATOM 130 OE1 GLU A 10 0.238 -3.269 12.956 1.00 25.00 O ATOM 131 OE2 GLU A 10 -0.927 -3.403 11.096 1.00 25.00 O ATOM 0 H GLU A 10 1.974 1.282 10.264 1.00 25.00 H new ATOM 0 HA GLU A 10 0.637 1.310 12.022 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.942 -1.329 12.783 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.511 -0.670 13.550 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.708 -0.759 11.410 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.728 -1.346 10.595 1.00 25.00 H new ATOM 138 N LYS A 11 2.945 2.498 13.128 1.00 25.00 N ATOM 139 CA LYS A 11 3.654 3.359 14.119 1.00 25.00 C ATOM 140 C LYS A 11 4.882 2.682 14.757 1.00 25.00 C ATOM 141 O LYS A 11 5.613 3.322 15.522 1.00 25.00 O ATOM 142 CB LYS A 11 2.703 3.879 15.214 1.00 25.00 C ATOM 143 CG LYS A 11 1.611 4.808 14.681 1.00 25.00 C ATOM 144 CD LYS A 11 0.664 5.290 15.777 1.00 25.00 C ATOM 145 CE LYS A 11 -0.257 4.184 16.288 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.164 3.666 15.224 1.00 25.00 N ATOM 0 H LYS A 11 3.044 2.831 12.169 1.00 25.00 H new ATOM 0 HA LYS A 11 4.023 4.208 13.543 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.235 3.029 15.712 1.00 25.00 H new ATOM 0 HB3 LYS A 11 3.285 4.410 15.968 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.075 5.670 14.202 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.038 4.287 13.914 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.248 5.684 16.609 1.00 25.00 H new ATOM 0 HD3 LYS A 11 0.060 6.112 15.394 1.00 25.00 H new ATOM 0 HE2 LYS A 11 0.346 3.364 16.679 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.853 4.565 17.117 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -1.930 3.113 15.659 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -1.571 4.464 14.696 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -0.625 3.059 14.574 1.00 25.00 H new ATOM 160 N VAL A 12 5.113 1.400 14.436 1.00 25.00 N ATOM 161 CA VAL A 12 6.343 0.710 14.831 1.00 25.00 C ATOM 162 C VAL A 12 7.374 0.855 13.701 1.00 25.00 C ATOM 163 O VAL A 12 7.171 0.344 12.598 1.00 25.00 O ATOM 164 CB VAL A 12 6.078 -0.798 15.213 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.358 -1.535 15.573 1.00 25.00 C ATOM 166 CG2 VAL A 12 5.045 -0.942 16.338 1.00 25.00 C ATOM 0 H VAL A 12 4.462 0.823 13.904 1.00 25.00 H new ATOM 0 HA VAL A 12 6.742 1.172 15.734 1.00 25.00 H new ATOM 0 HB VAL A 12 5.664 -1.262 14.318 1.00 25.00 H new ATOM 0 HG11 VAL A 12 7.123 -2.568 15.828 1.00 25.00 H new ATOM 0 HG12 VAL A 12 8.040 -1.517 14.723 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.830 -1.049 16.427 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.898 -1.998 16.564 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.403 -0.427 17.229 1.00 25.00 H new ATOM 0 HG23 VAL A 12 4.099 -0.504 16.021 1.00 25.00 H new ATOM 176 N SER A 13 8.465 1.579 13.988 1.00 25.00 N ATOM 177 CA SER A 13 9.495 1.852 12.987 1.00 25.00 C ATOM 178 C SER A 13 10.343 0.615 12.724 1.00 25.00 C ATOM 179 O SER A 13 10.780 -0.063 13.659 1.00 25.00 O ATOM 180 CB SER A 13 10.373 3.038 13.407 1.00 25.00 C ATOM 181 OG SER A 13 11.442 3.246 12.497 1.00 25.00 O ATOM 0 H SER A 13 8.653 1.984 14.905 1.00 25.00 H new ATOM 0 HA SER A 13 8.993 2.120 12.057 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.763 3.940 13.465 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.774 2.859 14.405 1.00 25.00 H new ATOM 0 HG SER A 13 11.980 4.010 12.793 1.00 25.00 H new ATOM 187 N GLY A 14 10.550 0.332 11.441 1.00 25.00 N ATOM 188 CA GLY A 14 11.237 -0.880 11.046 1.00 25.00 C ATOM 189 C GLY A 14 12.060 -0.724 9.788 1.00 25.00 C ATOM 190 O GLY A 14 12.414 0.391 9.391 1.00 25.00 O ATOM 0 H GLY A 14 10.252 0.925 10.666 1.00 25.00 H new ATOM 0 HA2 GLY A 14 11.888 -1.201 11.859 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.503 -1.671 10.895 1.00 25.00 H new ATOM 194 N ILE A 15 12.357 -1.864 9.170 1.00 25.00 N ATOM 195 CA ILE A 15 13.171 -1.926 7.959 1.00 25.00 C ATOM 196 C ILE A 15 12.429 -2.720 6.866 1.00 25.00 C ATOM 197 O ILE A 15 11.902 -3.804 7.129 1.00 25.00 O ATOM 198 CB ILE A 15 14.575 -2.558 8.292 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.482 -1.579 9.097 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.317 -3.093 7.059 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.463 -2.202 10.089 1.00 25.00 C ATOM 0 H ILE A 15 12.038 -2.776 9.497 1.00 25.00 H new ATOM 0 HA ILE A 15 13.341 -0.919 7.577 1.00 25.00 H new ATOM 0 HB ILE A 15 14.355 -3.420 8.922 1.00 25.00 H new ATOM 0 HG12 ILE A 15 16.053 -0.982 8.385 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.837 -0.892 9.644 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.275 -3.513 7.365 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.717 -3.868 6.581 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.486 -2.279 6.354 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.032 -1.414 10.582 1.00 25.00 H new ATOM 0 HD12 ILE A 15 15.912 -2.773 10.836 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.146 -2.865 9.558 1.00 25.00 H new ATOM 213 N ILE A 16 12.406 -2.166 5.644 1.00 25.00 N ATOM 214 CA ILE A 16 11.723 -2.799 4.510 1.00 25.00 C ATOM 215 C ILE A 16 12.735 -3.514 3.598 1.00 25.00 C ATOM 216 O ILE A 16 13.781 -2.957 3.263 1.00 25.00 O ATOM 217 CB ILE A 16 10.834 -1.741 3.744 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.340 -2.023 4.036 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.110 -1.659 2.223 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.403 -1.860 2.841 1.00 25.00 C ATOM 0 H ILE A 16 12.855 -1.278 5.418 1.00 25.00 H new ATOM 0 HA ILE A 16 11.045 -3.569 4.879 1.00 25.00 H new ATOM 0 HB ILE A 16 11.110 -0.758 4.125 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.246 -3.041 4.415 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.009 -1.355 4.831 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.458 -0.909 1.775 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.151 -1.381 2.057 1.00 25.00 H new ATOM 0 HG23 ILE A 16 10.916 -2.629 1.765 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.380 -2.079 3.148 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.459 -0.836 2.472 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.700 -2.548 2.049 1.00 25.00 H new ATOM 232 N ALA A 17 12.414 -4.759 3.232 1.00 25.00 N ATOM 233 CA ALA A 17 13.259 -5.562 2.341 1.00 25.00 C ATOM 234 C ALA A 17 12.418 -6.307 1.303 1.00 25.00 C ATOM 235 O ALA A 17 11.384 -6.887 1.640 1.00 25.00 O ATOM 236 CB ALA A 17 14.103 -6.546 3.147 1.00 25.00 C ATOM 0 H ALA A 17 11.568 -5.236 3.542 1.00 25.00 H new ATOM 0 HA ALA A 17 13.925 -4.882 1.810 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.723 -7.133 2.470 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.741 -5.996 3.839 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.448 -7.212 3.709 1.00 25.00 H new ATOM 242 N ILE A 18 12.874 -6.289 0.043 1.00 25.00 N ATOM 243 CA ILE A 18 12.184 -6.994 -1.048 1.00 25.00 C ATOM 244 C ILE A 18 12.813 -8.368 -1.285 1.00 25.00 C ATOM 245 O ILE A 18 14.037 -8.523 -1.337 1.00 25.00 O ATOM 246 CB ILE A 18 12.160 -6.152 -2.363 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.323 -4.904 -2.142 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.602 -6.927 -3.555 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.527 -3.829 -3.185 1.00 25.00 C ATOM 0 H ILE A 18 13.718 -5.794 -0.247 1.00 25.00 H new ATOM 0 HA ILE A 18 11.148 -7.138 -0.742 1.00 25.00 H new ATOM 0 HB ILE A 18 13.192 -5.894 -2.600 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.270 -5.184 -2.126 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.558 -4.492 -1.161 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.611 -6.290 -4.439 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.218 -7.808 -3.737 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.579 -7.237 -3.341 1.00 25.00 H new ATOM 0 HD11 ILE A 18 10.893 -2.973 -2.954 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.571 -3.517 -3.187 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.264 -4.221 -4.168 1.00 25.00 H new ATOM 261 N ASN A 19 11.927 -9.341 -1.423 1.00 25.00 N ATOM 262 CA ASN A 19 12.288 -10.734 -1.669 1.00 25.00 C ATOM 263 C ASN A 19 12.132 -11.093 -3.157 1.00 25.00 C ATOM 264 O ASN A 19 11.014 -11.237 -3.659 1.00 25.00 O ATOM 265 CB ASN A 19 11.397 -11.648 -0.804 1.00 25.00 C ATOM 266 CG ASN A 19 11.606 -11.483 0.700 1.00 25.00 C ATOM 267 OD1 ASN A 19 12.606 -10.909 1.129 1.00 25.00 O ATOM 268 ND2 ASN A 19 10.685 -12.003 1.510 1.00 25.00 N ATOM 0 H ASN A 19 10.920 -9.186 -1.367 1.00 25.00 H new ATOM 0 HA ASN A 19 13.334 -10.879 -1.401 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.352 -11.446 -1.039 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.589 -12.686 -1.075 1.00 25.00 H new ATOM 0 HD21 ASN A 19 10.797 -11.932 2.521 1.00 25.00 H new ATOM 0 HD22 ASN A 19 9.868 -12.472 1.119 1.00 25.00 H new ATOM 275 N GLU A 20 13.270 -11.215 -3.849 1.00 25.00 N ATOM 276 CA GLU A 20 13.313 -11.685 -5.239 1.00 25.00 C ATOM 277 C GLU A 20 14.163 -12.962 -5.310 1.00 25.00 C ATOM 278 O GLU A 20 14.845 -13.300 -4.337 1.00 25.00 O ATOM 279 CB GLU A 20 13.873 -10.607 -6.191 1.00 25.00 C ATOM 280 CG GLU A 20 13.049 -9.325 -6.280 1.00 25.00 C ATOM 281 CD GLU A 20 13.632 -8.325 -7.260 1.00 25.00 C ATOM 282 OE1 GLU A 20 14.631 -8.660 -7.927 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.089 -7.204 -7.357 1.00 25.00 O ATOM 0 H GLU A 20 14.187 -10.991 -3.462 1.00 25.00 H new ATOM 0 HA GLU A 20 12.295 -11.900 -5.565 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.882 -10.349 -5.869 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.957 -11.036 -7.190 1.00 25.00 H new ATOM 0 HG2 GLU A 20 12.031 -9.572 -6.581 1.00 25.00 H new ATOM 0 HG3 GLU A 20 12.988 -8.867 -5.293 1.00 25.00 H new ATOM 290 N ASP A 21 14.112 -13.681 -6.461 1.00 25.00 N ATOM 291 CA ASP A 21 14.760 -15.018 -6.641 1.00 25.00 C ATOM 292 C ASP A 21 13.973 -16.110 -5.886 1.00 25.00 C ATOM 293 O ASP A 21 14.338 -17.290 -5.896 1.00 25.00 O ATOM 294 CB ASP A 21 16.239 -15.013 -6.191 1.00 25.00 C ATOM 295 CG ASP A 21 17.107 -14.070 -7.008 1.00 25.00 C ATOM 296 OD1 ASP A 21 17.010 -14.100 -8.253 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.883 -13.303 -6.402 1.00 25.00 O ATOM 0 H ASP A 21 13.622 -13.355 -7.294 1.00 25.00 H new ATOM 0 HA ASP A 21 14.744 -15.242 -7.708 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.292 -14.728 -5.140 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.639 -16.024 -6.267 1.00 25.00 H new ATOM 302 N VAL A 22 12.883 -15.675 -5.254 1.00 25.00 N ATOM 303 CA VAL A 22 11.977 -16.530 -4.488 1.00 25.00 C ATOM 304 C VAL A 22 10.704 -16.809 -5.298 1.00 25.00 C ATOM 305 O VAL A 22 10.622 -16.450 -6.478 1.00 25.00 O ATOM 306 CB VAL A 22 11.628 -15.893 -3.096 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.869 -15.857 -2.208 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.014 -14.483 -3.216 1.00 25.00 C ATOM 0 H VAL A 22 12.599 -14.695 -5.261 1.00 25.00 H new ATOM 0 HA VAL A 22 12.483 -17.476 -4.295 1.00 25.00 H new ATOM 0 HB VAL A 22 10.868 -16.527 -2.640 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.615 -15.413 -1.245 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.236 -16.872 -2.054 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.644 -15.260 -2.689 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.794 -14.096 -2.221 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.720 -13.820 -3.716 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.093 -14.535 -3.796 1.00 25.00 H new ATOM 318 N SER A 23 9.721 -17.453 -4.661 1.00 25.00 N ATOM 319 CA SER A 23 8.399 -17.617 -5.259 1.00 25.00 C ATOM 320 C SER A 23 7.725 -16.238 -5.178 1.00 25.00 C ATOM 321 O SER A 23 8.150 -15.440 -4.339 1.00 25.00 O ATOM 322 CB SER A 23 7.625 -18.685 -4.484 1.00 25.00 C ATOM 323 OG SER A 23 7.309 -18.251 -3.169 1.00 25.00 O ATOM 0 H SER A 23 9.819 -17.867 -3.734 1.00 25.00 H new ATOM 0 HA SER A 23 8.441 -17.950 -6.296 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.706 -18.929 -5.018 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.217 -19.599 -4.434 1.00 25.00 H new ATOM 0 HG SER A 23 6.813 -18.956 -2.702 1.00 25.00 H new ATOM 329 N PRO A 24 6.654 -15.909 -5.967 1.00 25.00 N ATOM 330 CA PRO A 24 6.550 -14.562 -6.574 1.00 25.00 C ATOM 331 C PRO A 24 6.970 -13.431 -5.634 1.00 25.00 C ATOM 332 O PRO A 24 6.512 -13.341 -4.490 1.00 25.00 O ATOM 333 CB PRO A 24 5.058 -14.458 -6.889 1.00 25.00 C ATOM 334 CG PRO A 24 4.634 -15.858 -7.160 1.00 25.00 C ATOM 335 CD PRO A 24 5.462 -16.737 -6.270 1.00 25.00 C ATOM 0 HA PRO A 24 7.213 -14.455 -7.433 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.505 -14.031 -6.052 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.879 -13.815 -7.751 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.572 -15.988 -6.953 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.788 -16.113 -8.208 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.923 -17.009 -5.363 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.737 -17.666 -6.769 1.00 25.00 H new ATOM 343 N ALA A 25 7.869 -12.579 -6.167 1.00 25.00 N ATOM 344 CA ALA A 25 8.600 -11.565 -5.399 1.00 25.00 C ATOM 345 C ALA A 25 7.713 -10.753 -4.489 1.00 25.00 C ATOM 346 O ALA A 25 6.612 -10.341 -4.858 1.00 25.00 O ATOM 347 CB ALA A 25 9.393 -10.659 -6.326 1.00 25.00 C ATOM 0 H ALA A 25 8.107 -12.581 -7.159 1.00 25.00 H new ATOM 0 HA ALA A 25 9.290 -12.107 -4.752 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.928 -9.914 -5.737 1.00 25.00 H new ATOM 0 HB2 ALA A 25 10.108 -11.255 -6.893 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.713 -10.157 -7.014 1.00 25.00 H new ATOM 353 N GLU A 26 8.232 -10.556 -3.288 1.00 25.00 N ATOM 354 CA GLU A 26 7.468 -10.018 -2.190 1.00 25.00 C ATOM 355 C GLU A 26 8.105 -8.730 -1.655 1.00 25.00 C ATOM 356 O GLU A 26 9.160 -8.309 -2.121 1.00 25.00 O ATOM 357 CB GLU A 26 7.326 -11.067 -1.064 1.00 25.00 C ATOM 358 CG GLU A 26 7.127 -12.518 -1.521 1.00 25.00 C ATOM 359 CD GLU A 26 7.093 -13.499 -0.364 1.00 25.00 C ATOM 360 OE1 GLU A 26 6.166 -14.335 -0.321 1.00 25.00 O ATOM 361 OE2 GLU A 26 7.993 -13.432 0.499 1.00 25.00 O ATOM 0 H GLU A 26 9.202 -10.768 -3.053 1.00 25.00 H new ATOM 0 HA GLU A 26 6.472 -9.771 -2.559 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.217 -11.023 -0.438 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.481 -10.785 -0.436 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.196 -12.593 -2.082 1.00 25.00 H new ATOM 0 HG3 GLU A 26 7.933 -12.794 -2.202 1.00 25.00 H new ATOM 368 N LEU A 27 7.389 -8.067 -0.748 1.00 25.00 N ATOM 369 CA LEU A 27 7.878 -6.884 -0.048 1.00 25.00 C ATOM 370 C LEU A 27 7.690 -7.101 1.453 1.00 25.00 C ATOM 371 O LEU A 27 6.570 -7.045 1.970 1.00 25.00 O ATOM 372 CB LEU A 27 7.147 -5.631 -0.599 1.00 25.00 C ATOM 373 CG LEU A 27 7.351 -4.242 0.070 1.00 25.00 C ATOM 374 CD1 LEU A 27 8.701 -3.619 -0.248 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.229 -3.268 -0.267 1.00 25.00 C ATOM 0 H LEU A 27 6.444 -8.340 -0.477 1.00 25.00 H new ATOM 0 HA LEU A 27 8.942 -6.718 -0.217 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.429 -5.528 -1.647 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.079 -5.846 -0.576 1.00 25.00 H new ATOM 0 HG LEU A 27 7.326 -4.436 1.142 1.00 25.00 H new ATOM 0 HD11 LEU A 27 8.781 -2.652 0.248 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.497 -4.275 0.105 1.00 25.00 H new ATOM 0 HD13 LEU A 27 8.794 -3.483 -1.325 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.417 -2.313 0.223 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.188 -3.120 -1.346 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.279 -3.673 0.080 1.00 25.00 H new ATOM 387 N THR A 28 8.802 -7.365 2.135 1.00 25.00 N ATOM 388 CA THR A 28 8.777 -7.773 3.534 1.00 25.00 C ATOM 389 C THR A 28 9.223 -6.635 4.455 1.00 25.00 C ATOM 390 O THR A 28 10.392 -6.236 4.447 1.00 25.00 O ATOM 391 CB THR A 28 9.674 -9.023 3.758 1.00 25.00 C ATOM 392 OG1 THR A 28 9.222 -10.103 2.931 1.00 25.00 O ATOM 393 CG2 THR A 28 9.655 -9.485 5.214 1.00 25.00 C ATOM 0 H THR A 28 9.738 -7.302 1.735 1.00 25.00 H new ATOM 0 HA THR A 28 7.747 -8.028 3.783 1.00 25.00 H new ATOM 0 HB THR A 28 10.693 -8.739 3.497 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.274 -10.943 3.433 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.295 -10.360 5.326 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.022 -8.683 5.855 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.635 -9.741 5.501 1.00 25.00 H new ATOM 401 N TRP A 29 8.269 -6.116 5.240 1.00 25.00 N ATOM 402 CA TRP A 29 8.578 -5.172 6.311 1.00 25.00 C ATOM 403 C TRP A 29 8.946 -5.939 7.576 1.00 25.00 C ATOM 404 O TRP A 29 8.312 -6.938 7.921 1.00 25.00 O ATOM 405 CB TRP A 29 7.392 -4.217 6.587 1.00 25.00 C ATOM 406 CG TRP A 29 7.596 -3.309 7.786 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.131 -2.055 7.776 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.288 -3.595 9.168 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.186 -1.547 9.053 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.671 -2.469 9.922 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.727 -4.692 9.841 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.515 -2.409 11.306 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.573 -4.625 11.214 1.00 25.00 C ATOM 414 CH2 TRP A 29 6.965 -3.488 11.932 1.00 25.00 C ATOM 0 H TRP A 29 7.277 -6.337 5.149 1.00 25.00 H new ATOM 0 HA TRP A 29 9.424 -4.561 5.995 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.221 -3.602 5.703 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.490 -4.810 6.742 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.464 -1.534 6.891 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.552 -0.630 9.310 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.421 -5.573 9.296 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 7.820 -1.536 11.864 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.143 -5.464 11.741 1.00 25.00 H new ATOM 0 HH2 TRP A 29 6.829 -3.466 13.003 1.00 25.00 H new ATOM 425 N ARG A 30 9.982 -5.457 8.245 1.00 25.00 N ATOM 426 CA ARG A 30 10.417 -6.008 9.521 1.00 25.00 C ATOM 427 C ARG A 30 10.570 -4.873 10.526 1.00 25.00 C ATOM 428 O ARG A 30 10.554 -3.701 10.143 1.00 25.00 O ATOM 429 CB ARG A 30 11.748 -6.755 9.363 1.00 25.00 C ATOM 430 CG ARG A 30 11.716 -7.900 8.366 1.00 25.00 C ATOM 431 CD ARG A 30 13.040 -8.617 8.312 1.00 25.00 C ATOM 432 NE ARG A 30 13.366 -9.284 9.578 1.00 25.00 N ATOM 433 CZ ARG A 30 13.083 -10.564 9.865 1.00 25.00 C ATOM 434 NH1 ARG A 30 12.457 -11.347 8.986 1.00 25.00 N ATOM 435 NH2 ARG A 30 13.431 -11.062 11.044 1.00 25.00 N ATOM 0 H ARG A 30 10.546 -4.672 7.919 1.00 25.00 H new ATOM 0 HA ARG A 30 9.671 -6.718 9.877 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.514 -6.044 9.055 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.048 -7.146 10.335 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.930 -8.603 8.642 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.467 -7.516 7.377 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.018 -9.355 7.510 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.827 -7.904 8.067 1.00 25.00 H new ATOM 0 HE ARG A 30 13.843 -8.734 10.293 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.184 -10.976 8.076 1.00 25.00 H new ATOM 0 HH12 ARG A 30 12.251 -12.317 9.223 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.910 -10.473 11.725 1.00 25.00 H new ATOM 0 HH22 ARG A 30 13.219 -12.034 11.270 1.00 25.00 H new ATOM 449 N SER A 31 10.710 -5.217 11.810 1.00 25.00 N ATOM 450 CA SER A 31 10.951 -4.215 12.849 1.00 25.00 C ATOM 451 C SER A 31 12.426 -3.772 12.805 1.00 25.00 C ATOM 452 O SER A 31 13.218 -4.384 12.079 1.00 25.00 O ATOM 453 CB SER A 31 10.555 -4.773 14.230 1.00 25.00 C ATOM 454 OG SER A 31 11.396 -5.829 14.654 1.00 25.00 O ATOM 0 H SER A 31 10.661 -6.177 12.152 1.00 25.00 H new ATOM 0 HA SER A 31 10.331 -3.337 12.667 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.589 -3.969 14.965 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.525 -5.127 14.192 1.00 25.00 H new ATOM 0 HG SER A 31 11.536 -5.767 15.622 1.00 25.00 H new ATOM 460 N THR A 32 12.802 -2.724 13.551 1.00 25.00 N ATOM 461 CA THR A 32 14.204 -2.238 13.554 1.00 25.00 C ATOM 462 C THR A 32 15.211 -3.342 13.928 1.00 25.00 C ATOM 463 O THR A 32 16.350 -3.341 13.447 1.00 25.00 O ATOM 464 CB THR A 32 14.398 -1.015 14.476 1.00 25.00 C ATOM 465 OG1 THR A 32 13.497 -1.076 15.590 1.00 25.00 O ATOM 466 CG2 THR A 32 14.190 0.282 13.700 1.00 25.00 C ATOM 0 H THR A 32 12.171 -2.197 14.155 1.00 25.00 H new ATOM 0 HA THR A 32 14.406 -1.930 12.528 1.00 25.00 H new ATOM 0 HB THR A 32 15.420 -1.033 14.854 1.00 25.00 H new ATOM 0 HG1 THR A 32 13.634 -0.294 16.165 1.00 25.00 H new ATOM 0 HG21 THR A 32 14.331 1.132 14.368 1.00 25.00 H new ATOM 0 HG22 THR A 32 14.911 0.338 12.884 1.00 25.00 H new ATOM 0 HG23 THR A 32 13.179 0.304 13.293 1.00 25.00 H new ATOM 474 N ASP A 33 14.771 -4.285 14.772 1.00 25.00 N ATOM 475 CA ASP A 33 15.527 -5.515 15.038 1.00 25.00 C ATOM 476 C ASP A 33 14.994 -6.650 14.143 1.00 25.00 C ATOM 477 O ASP A 33 15.741 -7.551 13.748 1.00 25.00 O ATOM 478 CB ASP A 33 15.421 -5.892 16.525 1.00 25.00 C ATOM 479 CG ASP A 33 15.958 -4.814 17.458 1.00 25.00 C ATOM 480 OD1 ASP A 33 17.112 -4.380 17.261 1.00 25.00 O ATOM 481 OD2 ASP A 33 15.222 -4.408 18.382 1.00 25.00 O ATOM 0 H ASP A 33 13.891 -4.218 15.284 1.00 25.00 H new ATOM 0 HA ASP A 33 16.579 -5.352 14.806 1.00 25.00 H new ATOM 0 HB2 ASP A 33 14.377 -6.088 16.770 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.968 -6.819 16.698 1.00 25.00 H new ATOM 486 N GLY A 34 13.689 -6.576 13.841 1.00 25.00 N ATOM 487 CA GLY A 34 13.038 -7.505 12.924 1.00 25.00 C ATOM 488 C GLY A 34 12.206 -8.573 13.621 1.00 25.00 C ATOM 489 O GLY A 34 11.887 -9.600 13.015 1.00 25.00 O ATOM 0 H GLY A 34 13.062 -5.870 14.228 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.396 -6.942 12.246 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.799 -7.991 12.313 1.00 25.00 H new ATOM 493 N ASP A 35 11.856 -8.330 14.896 1.00 25.00 N ATOM 494 CA ASP A 35 10.981 -9.225 15.665 1.00 25.00 C ATOM 495 C ASP A 35 9.538 -9.212 15.124 1.00 25.00 C ATOM 496 O ASP A 35 8.817 -10.208 15.236 1.00 25.00 O ATOM 497 CB ASP A 35 11.016 -8.846 17.158 1.00 25.00 C ATOM 498 CG ASP A 35 10.579 -7.413 17.444 1.00 25.00 C ATOM 499 OD1 ASP A 35 11.329 -6.481 17.086 1.00 25.00 O ATOM 500 OD2 ASP A 35 9.487 -7.230 18.021 1.00 25.00 O ATOM 0 H ASP A 35 12.171 -7.512 15.418 1.00 25.00 H new ATOM 0 HA ASP A 35 11.356 -10.243 15.554 1.00 25.00 H new ATOM 0 HB2 ASP A 35 10.371 -9.529 17.711 1.00 25.00 H new ATOM 0 HB3 ASP A 35 12.029 -8.988 17.535 1.00 25.00 H new ATOM 505 N LYS A 36 9.138 -8.070 14.545 1.00 25.00 N ATOM 506 CA LYS A 36 7.846 -7.937 13.868 1.00 25.00 C ATOM 507 C LYS A 36 8.069 -7.954 12.358 1.00 25.00 C ATOM 508 O LYS A 36 9.043 -7.380 11.866 1.00 25.00 O ATOM 509 CB LYS A 36 7.155 -6.637 14.295 1.00 25.00 C ATOM 510 CG LYS A 36 6.701 -6.611 15.747 1.00 25.00 C ATOM 511 CD LYS A 36 5.913 -5.344 16.042 1.00 25.00 C ATOM 512 CE LYS A 36 6.372 -4.666 17.330 1.00 25.00 C ATOM 513 NZ LYS A 36 7.821 -4.893 17.588 1.00 25.00 N ATOM 0 H LYS A 36 9.700 -7.219 14.534 1.00 25.00 H new ATOM 0 HA LYS A 36 7.201 -8.771 14.146 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.838 -5.805 14.126 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.289 -6.473 13.654 1.00 25.00 H new ATOM 0 HG2 LYS A 36 6.085 -7.485 15.956 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.568 -6.667 16.405 1.00 25.00 H new ATOM 0 HD2 LYS A 36 6.021 -4.649 15.209 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.853 -5.587 16.119 1.00 25.00 H new ATOM 0 HE2 LYS A 36 6.177 -3.595 17.267 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.789 -5.047 18.169 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 8.165 -4.192 18.275 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.960 -5.850 17.971 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 8.351 -4.796 16.699 1.00 25.00 H new ATOM 527 N VAL A 37 7.169 -8.617 11.628 1.00 25.00 N ATOM 528 CA VAL A 37 7.352 -8.807 10.182 1.00 25.00 C ATOM 529 C VAL A 37 6.003 -8.872 9.421 1.00 25.00 C ATOM 530 O VAL A 37 5.031 -9.462 9.903 1.00 25.00 O ATOM 531 CB VAL A 37 8.252 -10.065 9.900 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.700 -11.351 10.525 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.504 -10.243 8.407 1.00 25.00 C ATOM 0 H VAL A 37 6.315 -9.028 12.006 1.00 25.00 H new ATOM 0 HA VAL A 37 7.872 -7.930 9.796 1.00 25.00 H new ATOM 0 HB VAL A 37 9.207 -9.871 10.388 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.366 -12.183 10.294 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.632 -11.230 11.606 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.709 -11.556 10.120 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.129 -11.121 8.246 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.553 -10.375 7.891 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.010 -9.360 8.016 1.00 25.00 H new ATOM 543 N HIS A 38 5.979 -8.247 8.231 1.00 25.00 N ATOM 544 CA HIS A 38 4.818 -8.265 7.326 1.00 25.00 C ATOM 545 C HIS A 38 5.303 -8.486 5.882 1.00 25.00 C ATOM 546 O HIS A 38 6.396 -8.043 5.526 1.00 25.00 O ATOM 547 CB HIS A 38 4.037 -6.941 7.441 1.00 25.00 C ATOM 548 CG HIS A 38 3.369 -6.727 8.770 1.00 25.00 C ATOM 549 ND1 HIS A 38 2.173 -7.319 9.116 1.00 25.00 N ATOM 550 CD2 HIS A 38 3.743 -5.985 9.841 1.00 25.00 C ATOM 551 CE1 HIS A 38 1.839 -6.952 10.340 1.00 25.00 C ATOM 552 NE2 HIS A 38 2.774 -6.142 10.802 1.00 25.00 N ATOM 0 H HIS A 38 6.769 -7.713 7.869 1.00 25.00 H new ATOM 0 HA HIS A 38 4.149 -9.080 7.605 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.721 -6.113 7.254 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.279 -6.911 6.658 1.00 25.00 H new ATOM 0 HD2 HIS A 38 4.636 -5.383 9.923 1.00 25.00 H new ATOM 0 HE1 HIS A 38 0.952 -7.262 10.873 1.00 25.00 H new ATOM 0 HE2 HIS A 38 2.776 -5.704 11.723 1.00 25.00 H new ATOM 561 N THR A 39 4.492 -9.172 5.058 1.00 25.00 N ATOM 562 CA THR A 39 4.907 -9.529 3.691 1.00 25.00 C ATOM 563 C THR A 39 3.854 -9.127 2.639 1.00 25.00 C ATOM 564 O THR A 39 2.663 -9.411 2.794 1.00 25.00 O ATOM 565 CB THR A 39 5.219 -11.050 3.594 1.00 25.00 C ATOM 566 OG1 THR A 39 6.301 -11.377 4.474 1.00 25.00 O ATOM 567 CG2 THR A 39 5.600 -11.476 2.174 1.00 25.00 C ATOM 0 H THR A 39 3.556 -9.487 5.311 1.00 25.00 H new ATOM 0 HA THR A 39 5.814 -8.966 3.473 1.00 25.00 H new ATOM 0 HB THR A 39 4.311 -11.582 3.878 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.494 -12.336 4.412 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.808 -12.546 2.159 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.776 -11.257 1.495 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.487 -10.929 1.856 1.00 25.00 H new ATOM 575 N VAL A 40 4.330 -8.459 1.573 1.00 25.00 N ATOM 576 CA VAL A 40 3.501 -8.070 0.426 1.00 25.00 C ATOM 577 C VAL A 40 3.994 -8.781 -0.855 1.00 25.00 C ATOM 578 O VAL A 40 5.033 -8.419 -1.401 1.00 25.00 O ATOM 579 CB VAL A 40 3.560 -6.513 0.252 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.791 -5.986 -0.964 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.066 -5.812 1.501 1.00 25.00 C ATOM 0 H VAL A 40 5.306 -8.174 1.486 1.00 25.00 H new ATOM 0 HA VAL A 40 2.468 -8.370 0.603 1.00 25.00 H new ATOM 0 HB VAL A 40 4.612 -6.286 0.080 1.00 25.00 H new ATOM 0 HG11 VAL A 40 2.883 -4.901 -1.010 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.203 -6.424 -1.873 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.739 -6.257 -0.875 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.116 -4.733 1.357 1.00 25.00 H new ATOM 0 HG22 VAL A 40 2.035 -6.104 1.698 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.691 -6.094 2.348 1.00 25.00 H new ATOM 591 N VAL A 41 3.229 -9.767 -1.347 1.00 25.00 N ATOM 592 CA VAL A 41 3.551 -10.442 -2.612 1.00 25.00 C ATOM 593 C VAL A 41 3.065 -9.559 -3.778 1.00 25.00 C ATOM 594 O VAL A 41 1.880 -9.229 -3.851 1.00 25.00 O ATOM 595 CB VAL A 41 2.903 -11.863 -2.698 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.263 -12.573 -4.005 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.341 -12.724 -1.518 1.00 25.00 C ATOM 0 H VAL A 41 2.386 -10.113 -0.889 1.00 25.00 H new ATOM 0 HA VAL A 41 4.630 -10.583 -2.668 1.00 25.00 H new ATOM 0 HB VAL A 41 1.822 -11.724 -2.669 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.794 -13.557 -4.026 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.907 -11.983 -4.850 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.345 -12.686 -4.072 1.00 25.00 H new ATOM 0 HG21 VAL A 41 2.880 -13.709 -1.595 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.426 -12.829 -1.527 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.031 -12.250 -0.587 1.00 25.00 H new ATOM 607 N LEU A 42 3.983 -9.181 -4.674 1.00 25.00 N ATOM 608 CA LEU A 42 3.672 -8.188 -5.721 1.00 25.00 C ATOM 609 C LEU A 42 2.855 -8.747 -6.888 1.00 25.00 C ATOM 610 O LEU A 42 2.173 -7.982 -7.580 1.00 25.00 O ATOM 611 CB LEU A 42 4.941 -7.517 -6.296 1.00 25.00 C ATOM 612 CG LEU A 42 5.726 -6.539 -5.388 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.824 -5.462 -4.818 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.445 -7.268 -4.268 1.00 25.00 C ATOM 0 H LEU A 42 4.938 -9.539 -4.700 1.00 25.00 H new ATOM 0 HA LEU A 42 3.063 -7.449 -5.201 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.625 -8.308 -6.604 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.652 -6.976 -7.197 1.00 25.00 H new ATOM 0 HG LEU A 42 6.476 -6.060 -6.018 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.409 -4.794 -4.186 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.378 -4.892 -5.633 1.00 25.00 H new ATOM 0 HD13 LEU A 42 4.035 -5.924 -4.225 1.00 25.00 H new ATOM 0 HD21 LEU A 42 6.984 -6.548 -3.653 1.00 25.00 H new ATOM 0 HD22 LEU A 42 5.718 -7.798 -3.653 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.150 -7.982 -4.693 1.00 25.00 H new ATOM 626 N SER A 43 2.919 -10.068 -7.118 1.00 25.00 N ATOM 627 CA SER A 43 2.107 -10.714 -8.167 1.00 25.00 C ATOM 628 C SER A 43 0.606 -10.652 -7.807 1.00 25.00 C ATOM 629 O SER A 43 -0.256 -11.072 -8.585 1.00 25.00 O ATOM 630 CB SER A 43 2.568 -12.168 -8.367 1.00 25.00 C ATOM 631 OG SER A 43 2.239 -12.983 -7.253 1.00 25.00 O ATOM 0 H SER A 43 3.519 -10.707 -6.597 1.00 25.00 H new ATOM 0 HA SER A 43 2.247 -10.176 -9.105 1.00 25.00 H new ATOM 0 HB2 SER A 43 2.105 -12.576 -9.265 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.646 -12.189 -8.527 1.00 25.00 H new ATOM 0 HG SER A 43 2.398 -13.924 -7.477 1.00 25.00 H new ATOM 637 N THR A 44 0.332 -10.107 -6.609 1.00 25.00 N ATOM 638 CA THR A 44 -1.028 -9.926 -6.096 1.00 25.00 C ATOM 639 C THR A 44 -1.355 -8.427 -5.933 1.00 25.00 C ATOM 640 O THR A 44 -2.470 -8.060 -5.552 1.00 25.00 O ATOM 641 CB THR A 44 -1.220 -10.645 -4.730 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.433 -10.018 -3.707 1.00 25.00 O ATOM 643 CG2 THR A 44 -0.825 -12.115 -4.811 1.00 25.00 C ATOM 0 H THR A 44 1.056 -9.779 -5.969 1.00 25.00 H new ATOM 0 HA THR A 44 -1.709 -10.369 -6.823 1.00 25.00 H new ATOM 0 HB THR A 44 -2.279 -10.571 -4.482 1.00 25.00 H new ATOM 0 HG1 THR A 44 0.265 -9.470 -4.122 1.00 25.00 H new ATOM 0 HG21 THR A 44 -0.972 -12.585 -3.839 1.00 25.00 H new ATOM 0 HG22 THR A 44 -1.444 -12.618 -5.555 1.00 25.00 H new ATOM 0 HG23 THR A 44 0.224 -12.195 -5.098 1.00 25.00 H new ATOM 651 N ILE A 45 -0.356 -7.581 -6.219 1.00 25.00 N ATOM 652 CA ILE A 45 -0.471 -6.116 -6.120 1.00 25.00 C ATOM 653 C ILE A 45 -0.658 -5.524 -7.526 1.00 25.00 C ATOM 654 O ILE A 45 -0.091 -6.032 -8.497 1.00 25.00 O ATOM 655 CB ILE A 45 0.814 -5.525 -5.435 1.00 25.00 C ATOM 656 CG1 ILE A 45 1.037 -6.145 -4.021 1.00 25.00 C ATOM 657 CG2 ILE A 45 0.798 -3.990 -5.366 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.061 -5.892 -2.983 1.00 25.00 C ATOM 0 H ILE A 45 0.564 -7.895 -6.529 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.336 -5.855 -5.510 1.00 25.00 H new ATOM 0 HB ILE A 45 1.656 -5.802 -6.069 1.00 25.00 H new ATOM 0 HG12 ILE A 45 1.156 -7.222 -4.136 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.977 -5.761 -3.624 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.710 -3.638 -4.883 1.00 25.00 H new ATOM 0 HG22 ILE A 45 0.740 -3.581 -6.375 1.00 25.00 H new ATOM 0 HG23 ILE A 45 -0.067 -3.661 -4.791 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.209 -6.373 -2.043 1.00 25.00 H new ATOM 0 HD12 ILE A 45 -0.171 -4.819 -2.824 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.004 -6.304 -3.343 1.00 25.00 H new ATOM 670 N ASP A 46 -1.459 -4.454 -7.619 1.00 25.00 N ATOM 671 CA ASP A 46 -1.753 -3.811 -8.904 1.00 25.00 C ATOM 672 C ASP A 46 -1.093 -2.420 -9.015 1.00 25.00 C ATOM 673 O ASP A 46 -0.502 -2.104 -10.052 1.00 25.00 O ATOM 674 CB ASP A 46 -3.277 -3.729 -9.106 1.00 25.00 C ATOM 675 CG ASP A 46 -3.684 -3.095 -10.430 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.340 -3.660 -11.490 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.346 -2.038 -10.403 1.00 25.00 O ATOM 0 H ASP A 46 -1.915 -4.016 -6.818 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.325 -4.421 -9.700 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.697 -4.733 -9.049 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.713 -3.155 -8.289 1.00 25.00 H new ATOM 682 N LYS A 47 -1.196 -1.594 -7.955 1.00 25.00 N ATOM 683 CA LYS A 47 -0.614 -0.232 -7.971 1.00 25.00 C ATOM 684 C LYS A 47 0.179 0.066 -6.694 1.00 25.00 C ATOM 685 O LYS A 47 0.202 -0.739 -5.759 1.00 25.00 O ATOM 686 CB LYS A 47 -1.690 0.855 -8.122 1.00 25.00 C ATOM 687 CG LYS A 47 -2.447 0.858 -9.451 1.00 25.00 C ATOM 688 CD LYS A 47 -3.528 1.941 -9.495 1.00 25.00 C ATOM 689 CE LYS A 47 -4.217 2.021 -10.855 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.150 0.880 -11.085 1.00 25.00 N ATOM 0 H LYS A 47 -1.670 -1.839 -7.086 1.00 25.00 H new ATOM 0 HA LYS A 47 0.052 -0.211 -8.834 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.412 0.740 -7.314 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.218 1.829 -7.992 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.743 1.015 -10.268 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.906 -0.118 -9.609 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.272 1.739 -8.725 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.081 2.907 -9.260 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -4.769 2.958 -10.926 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -3.463 2.035 -11.642 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -5.424 0.852 -12.088 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -4.678 -0.011 -10.830 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -6.000 1.002 -10.498 1.00 25.00 H new ATOM 704 N LEU A 48 0.835 1.247 -6.680 1.00 25.00 N ATOM 705 CA LEU A 48 1.614 1.726 -5.523 1.00 25.00 C ATOM 706 C LEU A 48 1.580 3.262 -5.506 1.00 25.00 C ATOM 707 O LEU A 48 1.855 3.893 -6.533 1.00 25.00 O ATOM 708 CB LEU A 48 3.091 1.249 -5.581 1.00 25.00 C ATOM 709 CG LEU A 48 3.930 1.504 -4.332 1.00 25.00 C ATOM 710 CD1 LEU A 48 5.200 0.661 -4.328 1.00 25.00 C ATOM 711 CD2 LEU A 48 4.273 2.960 -4.232 1.00 25.00 C ATOM 0 H LEU A 48 0.838 1.892 -7.470 1.00 25.00 H new ATOM 0 HA LEU A 48 1.167 1.315 -4.618 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.098 0.178 -5.786 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.576 1.738 -6.426 1.00 25.00 H new ATOM 0 HG LEU A 48 3.337 1.213 -3.465 1.00 25.00 H new ATOM 0 HD11 LEU A 48 5.772 0.869 -3.424 1.00 25.00 H new ATOM 0 HD12 LEU A 48 4.935 -0.396 -4.355 1.00 25.00 H new ATOM 0 HD13 LEU A 48 5.802 0.906 -5.203 1.00 25.00 H new ATOM 0 HD21 LEU A 48 4.872 3.132 -3.338 1.00 25.00 H new ATOM 0 HD22 LEU A 48 4.841 3.261 -5.112 1.00 25.00 H new ATOM 0 HD23 LEU A 48 3.356 3.547 -4.173 1.00 25.00 H new ATOM 723 N GLN A 49 1.244 3.865 -4.353 1.00 25.00 N ATOM 724 CA GLN A 49 1.103 5.334 -4.263 1.00 25.00 C ATOM 725 C GLN A 49 1.947 5.917 -3.115 1.00 25.00 C ATOM 726 O GLN A 49 1.681 5.654 -1.941 1.00 25.00 O ATOM 727 CB GLN A 49 -0.388 5.724 -4.099 1.00 25.00 C ATOM 728 CG GLN A 49 -1.073 6.162 -5.402 1.00 25.00 C ATOM 729 CD GLN A 49 -2.579 6.370 -5.271 1.00 25.00 C ATOM 730 OE1 GLN A 49 -3.217 5.889 -4.334 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.154 7.096 -6.223 1.00 25.00 N ATOM 0 H GLN A 49 1.066 3.369 -3.480 1.00 25.00 H new ATOM 0 HA GLN A 49 1.478 5.761 -5.193 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.930 4.874 -3.685 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.462 6.534 -3.373 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.617 7.090 -5.746 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -0.886 5.411 -6.169 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -2.591 7.478 -6.983 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.158 7.272 -6.194 1.00 25.00 H new ATOM 740 N ALA A 50 2.961 6.727 -3.477 1.00 25.00 N ATOM 741 CA ALA A 50 3.911 7.300 -2.505 1.00 25.00 C ATOM 742 C ALA A 50 3.785 8.829 -2.390 1.00 25.00 C ATOM 743 O ALA A 50 3.292 9.492 -3.305 1.00 25.00 O ATOM 744 CB ALA A 50 5.329 6.918 -2.906 1.00 25.00 C ATOM 0 H ALA A 50 3.143 7.000 -4.443 1.00 25.00 H new ATOM 0 HA ALA A 50 3.673 6.890 -1.524 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.035 7.339 -2.191 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.425 5.832 -2.914 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.544 7.309 -3.901 1.00 25.00 H new ATOM 750 N THR A 51 4.251 9.373 -1.241 1.00 25.00 N ATOM 751 CA THR A 51 4.181 10.823 -0.947 1.00 25.00 C ATOM 752 C THR A 51 5.241 11.613 -1.748 1.00 25.00 C ATOM 753 O THR A 51 6.429 11.284 -1.672 1.00 25.00 O ATOM 754 CB THR A 51 4.389 11.128 0.563 1.00 25.00 C ATOM 755 OG1 THR A 51 4.423 12.542 0.792 1.00 25.00 O ATOM 756 CG2 THR A 51 5.683 10.508 1.087 1.00 25.00 C ATOM 0 H THR A 51 4.683 8.824 -0.498 1.00 25.00 H new ATOM 0 HA THR A 51 3.180 11.137 -1.241 1.00 25.00 H new ATOM 0 HB THR A 51 3.547 10.689 1.098 1.00 25.00 H new ATOM 0 HG1 THR A 51 5.158 12.757 1.404 1.00 25.00 H new ATOM 0 HG21 THR A 51 5.796 10.742 2.146 1.00 25.00 H new ATOM 0 HG22 THR A 51 5.647 9.427 0.956 1.00 25.00 H new ATOM 0 HG23 THR A 51 6.530 10.913 0.534 1.00 25.00 H new ATOM 764 N PRO A 52 4.831 12.663 -2.539 1.00 25.00 N ATOM 765 CA PRO A 52 5.785 13.556 -3.246 1.00 25.00 C ATOM 766 C PRO A 52 6.773 14.251 -2.296 1.00 25.00 C ATOM 767 O PRO A 52 6.546 14.310 -1.084 1.00 25.00 O ATOM 768 CB PRO A 52 4.889 14.618 -3.899 1.00 25.00 C ATOM 769 CG PRO A 52 3.537 14.003 -4.011 1.00 25.00 C ATOM 770 CD PRO A 52 3.424 13.037 -2.831 1.00 25.00 C ATOM 0 HA PRO A 52 6.396 12.987 -3.947 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.856 15.525 -3.296 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.271 14.901 -4.880 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.757 14.763 -3.971 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.423 13.478 -4.959 1.00 25.00 H new ATOM 0 HD2 PRO A 52 2.950 13.510 -1.971 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.823 12.164 -3.086 1.00 25.00 H new ATOM 778 N ALA A 53 7.865 14.785 -2.871 1.00 25.00 N ATOM 779 CA ALA A 53 8.894 15.508 -2.106 1.00 25.00 C ATOM 780 C ALA A 53 8.419 16.906 -1.681 1.00 25.00 C ATOM 781 O ALA A 53 9.095 17.591 -0.906 1.00 25.00 O ATOM 782 CB ALA A 53 10.179 15.604 -2.921 1.00 25.00 C ATOM 0 H ALA A 53 8.058 14.728 -3.871 1.00 25.00 H new ATOM 0 HA ALA A 53 9.088 14.943 -1.194 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.935 16.140 -2.347 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.541 14.601 -3.149 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.982 16.139 -3.850 1.00 25.00 H new ATOM 788 N SER A 54 7.255 17.311 -2.202 1.00 25.00 N ATOM 789 CA SER A 54 6.594 18.557 -1.804 1.00 25.00 C ATOM 790 C SER A 54 5.540 18.297 -0.719 1.00 25.00 C ATOM 791 O SER A 54 5.111 19.223 -0.021 1.00 25.00 O ATOM 792 CB SER A 54 5.941 19.220 -3.019 1.00 25.00 C ATOM 793 OG SER A 54 4.945 18.388 -3.593 1.00 25.00 O ATOM 0 H SER A 54 6.746 16.784 -2.911 1.00 25.00 H new ATOM 0 HA SER A 54 7.350 19.227 -1.395 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.496 20.169 -2.721 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.703 19.445 -3.765 1.00 25.00 H new ATOM 0 HG SER A 54 4.546 18.840 -4.365 1.00 25.00 H new ATOM 799 N SER A 55 5.140 17.023 -0.590 1.00 25.00 N ATOM 800 CA SER A 55 4.143 16.587 0.392 1.00 25.00 C ATOM 801 C SER A 55 4.672 16.634 1.826 1.00 25.00 C ATOM 802 O SER A 55 5.833 16.307 2.089 1.00 25.00 O ATOM 803 CB SER A 55 3.674 15.178 0.050 1.00 25.00 C ATOM 804 OG SER A 55 2.736 14.723 1.005 1.00 25.00 O ATOM 0 H SER A 55 5.502 16.265 -1.168 1.00 25.00 H new ATOM 0 HA SER A 55 3.305 17.283 0.341 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.224 15.169 -0.943 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.528 14.501 0.019 1.00 25.00 H new ATOM 0 HG SER A 55 2.879 13.768 1.175 1.00 25.00 H new ATOM 810 N GLU A 56 3.786 17.057 2.744 1.00 25.00 N ATOM 811 CA GLU A 56 4.067 17.100 4.193 1.00 25.00 C ATOM 812 C GLU A 56 4.281 15.703 4.770 1.00 25.00 C ATOM 813 O GLU A 56 4.831 15.540 5.864 1.00 25.00 O ATOM 814 CB GLU A 56 2.895 17.744 4.929 1.00 25.00 C ATOM 815 CG GLU A 56 2.726 19.229 4.656 1.00 25.00 C ATOM 816 CD GLU A 56 1.474 19.804 5.293 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.654 19.014 5.809 1.00 25.00 O ATOM 818 OE2 GLU A 56 1.313 21.042 5.274 1.00 25.00 O ATOM 0 H GLU A 56 2.849 17.381 2.502 1.00 25.00 H new ATOM 0 HA GLU A 56 4.979 17.682 4.328 1.00 25.00 H new ATOM 0 HB2 GLU A 56 1.977 17.228 4.648 1.00 25.00 H new ATOM 0 HB3 GLU A 56 3.029 17.596 6.001 1.00 25.00 H new ATOM 0 HG2 GLU A 56 3.598 19.765 5.031 1.00 25.00 H new ATOM 0 HG3 GLU A 56 2.689 19.394 3.579 1.00 25.00 H new ATOM 825 N LYS A 57 3.834 14.711 4.007 1.00 25.00 N ATOM 826 CA LYS A 57 3.792 13.332 4.436 1.00 25.00 C ATOM 827 C LYS A 57 5.009 12.533 3.989 1.00 25.00 C ATOM 828 O LYS A 57 5.667 12.870 3.000 1.00 25.00 O ATOM 829 CB LYS A 57 2.543 12.683 3.863 1.00 25.00 C ATOM 830 CG LYS A 57 1.235 13.343 4.246 1.00 25.00 C ATOM 831 CD LYS A 57 0.963 13.286 5.730 1.00 25.00 C ATOM 832 CE LYS A 57 -0.447 13.757 5.995 1.00 25.00 C ATOM 833 NZ LYS A 57 -0.752 13.828 7.451 1.00 25.00 N ATOM 0 H LYS A 57 3.487 14.853 3.059 1.00 25.00 H new ATOM 0 HA LYS A 57 3.785 13.329 5.526 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.623 12.677 2.776 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.514 11.642 4.186 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.251 14.384 3.924 1.00 25.00 H new ATOM 0 HG3 LYS A 57 0.418 12.857 3.713 1.00 25.00 H new ATOM 0 HD2 LYS A 57 1.094 12.268 6.097 1.00 25.00 H new ATOM 0 HD3 LYS A 57 1.675 13.913 6.267 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -0.590 14.740 5.547 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -1.151 13.081 5.511 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -1.730 14.156 7.585 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.642 12.885 7.875 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.098 14.493 7.911 1.00 25.00 H new ATOM 847 N MET A 58 5.293 11.471 4.749 1.00 25.00 N ATOM 848 CA MET A 58 6.278 10.470 4.362 1.00 25.00 C ATOM 849 C MET A 58 5.639 9.087 4.444 1.00 25.00 C ATOM 850 O MET A 58 5.530 8.502 5.527 1.00 25.00 O ATOM 851 CB MET A 58 7.515 10.552 5.267 1.00 25.00 C ATOM 852 CG MET A 58 8.310 11.843 5.096 1.00 25.00 C ATOM 853 SD MET A 58 9.735 11.958 6.207 1.00 25.00 S ATOM 854 CE MET A 58 8.948 12.308 7.782 1.00 25.00 C ATOM 0 H MET A 58 4.845 11.286 5.647 1.00 25.00 H new ATOM 0 HA MET A 58 6.603 10.657 3.339 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.201 10.463 6.307 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.166 9.703 5.057 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.655 11.915 4.065 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.651 12.693 5.272 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.711 12.509 8.534 1.00 25.00 H new ATOM 0 HE2 MET A 58 8.301 13.179 7.680 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.353 11.449 8.090 1.00 25.00 H new ATOM 864 N MET A 59 5.207 8.574 3.281 1.00 25.00 N ATOM 865 CA MET A 59 4.448 7.320 3.200 1.00 25.00 C ATOM 866 C MET A 59 4.588 6.658 1.831 1.00 25.00 C ATOM 867 O MET A 59 4.917 7.312 0.837 1.00 25.00 O ATOM 868 CB MET A 59 2.958 7.572 3.486 1.00 25.00 C ATOM 869 CG MET A 59 2.261 8.467 2.463 1.00 25.00 C ATOM 870 SD MET A 59 0.537 8.931 2.837 1.00 25.00 S ATOM 871 CE MET A 59 0.563 9.422 4.560 1.00 25.00 C ATOM 0 H MET A 59 5.374 9.015 2.377 1.00 25.00 H new ATOM 0 HA MET A 59 4.862 6.649 3.953 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.441 6.613 3.524 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.862 8.025 4.473 1.00 25.00 H new ATOM 0 HG2 MET A 59 2.845 9.381 2.354 1.00 25.00 H new ATOM 0 HG3 MET A 59 2.277 7.961 1.498 1.00 25.00 H new ATOM 0 HE1 MET A 59 0.005 8.697 5.153 1.00 25.00 H new ATOM 0 HE2 MET A 59 1.594 9.462 4.911 1.00 25.00 H new ATOM 0 HE3 MET A 59 0.105 10.406 4.665 1.00 25.00 H new ATOM 881 N LEU A 60 4.327 5.345 1.806 1.00 25.00 N ATOM 882 CA LEU A 60 4.338 4.552 0.581 1.00 25.00 C ATOM 883 C LEU A 60 3.185 3.549 0.627 1.00 25.00 C ATOM 884 O LEU A 60 3.146 2.683 1.506 1.00 25.00 O ATOM 885 CB LEU A 60 5.688 3.819 0.453 1.00 25.00 C ATOM 886 CG LEU A 60 5.857 2.894 -0.762 1.00 25.00 C ATOM 887 CD1 LEU A 60 6.796 3.507 -1.767 1.00 25.00 C ATOM 888 CD2 LEU A 60 6.392 1.532 -0.376 1.00 25.00 C ATOM 0 H LEU A 60 4.102 4.805 2.642 1.00 25.00 H new ATOM 0 HA LEU A 60 4.212 5.200 -0.286 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.480 4.567 0.424 1.00 25.00 H new ATOM 0 HB3 LEU A 60 5.841 3.227 1.355 1.00 25.00 H new ATOM 0 HG LEU A 60 4.865 2.769 -1.195 1.00 25.00 H new ATOM 0 HD11 LEU A 60 6.903 2.837 -2.620 1.00 25.00 H new ATOM 0 HD12 LEU A 60 6.395 4.463 -2.104 1.00 25.00 H new ATOM 0 HD13 LEU A 60 7.771 3.665 -1.305 1.00 25.00 H new ATOM 0 HD21 LEU A 60 6.494 0.915 -1.269 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.366 1.645 0.100 1.00 25.00 H new ATOM 0 HD23 LEU A 60 5.702 1.054 0.319 1.00 25.00 H new ATOM 900 N ARG A 61 2.254 3.662 -0.325 1.00 25.00 N ATOM 901 CA ARG A 61 1.070 2.797 -0.343 1.00 25.00 C ATOM 902 C ARG A 61 1.190 1.698 -1.394 1.00 25.00 C ATOM 903 O ARG A 61 1.785 1.893 -2.458 1.00 25.00 O ATOM 904 CB ARG A 61 -0.221 3.603 -0.555 1.00 25.00 C ATOM 905 CG ARG A 61 -0.452 4.663 0.510 1.00 25.00 C ATOM 906 CD ARG A 61 -1.716 5.480 0.270 1.00 25.00 C ATOM 907 NE ARG A 61 -2.930 4.741 0.632 1.00 25.00 N ATOM 908 CZ ARG A 61 -3.431 4.665 1.878 1.00 25.00 C ATOM 909 NH1 ARG A 61 -2.857 5.308 2.893 1.00 25.00 N ATOM 910 NH2 ARG A 61 -4.517 3.938 2.108 1.00 25.00 N ATOM 0 H ARG A 61 2.296 4.338 -1.088 1.00 25.00 H new ATOM 0 HA ARG A 61 1.015 2.323 0.637 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.185 4.083 -1.533 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -1.070 2.919 -0.567 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -0.516 4.182 1.486 1.00 25.00 H new ATOM 0 HG3 ARG A 61 0.407 5.333 0.541 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -1.667 6.401 0.850 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -1.767 5.767 -0.780 1.00 25.00 H new ATOM 0 HE ARG A 61 -3.428 4.252 -0.111 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -2.022 5.871 2.733 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -3.253 5.237 3.830 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -4.969 3.439 1.341 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -4.900 3.878 3.051 1.00 25.00 H new ATOM 924 N LEU A 62 0.621 0.541 -1.060 1.00 25.00 N ATOM 925 CA LEU A 62 0.654 -0.647 -1.907 1.00 25.00 C ATOM 926 C LEU A 62 -0.769 -1.170 -2.130 1.00 25.00 C ATOM 927 O LEU A 62 -1.378 -1.759 -1.232 1.00 25.00 O ATOM 928 CB LEU A 62 1.526 -1.729 -1.233 1.00 25.00 C ATOM 929 CG LEU A 62 3.046 -1.765 -1.529 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.295 -1.875 -3.017 1.00 25.00 C ATOM 931 CD2 LEU A 62 3.795 -0.564 -0.950 1.00 25.00 C ATOM 0 H LEU A 62 0.119 0.402 -0.183 1.00 25.00 H new ATOM 0 HA LEU A 62 1.084 -0.394 -2.876 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.404 -1.625 -0.155 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.115 -2.700 -1.508 1.00 25.00 H new ATOM 0 HG LEU A 62 3.440 -2.651 -1.031 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.368 -1.899 -3.206 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.840 -2.790 -3.395 1.00 25.00 H new ATOM 0 HD13 LEU A 62 2.857 -1.015 -3.524 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.855 -0.646 -1.190 1.00 25.00 H new ATOM 0 HD22 LEU A 62 3.396 0.355 -1.379 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.669 -0.544 0.132 1.00 25.00 H new ATOM 943 N ILE A 63 -1.284 -0.962 -3.342 1.00 25.00 N ATOM 944 CA ILE A 63 -2.681 -1.268 -3.679 1.00 25.00 C ATOM 945 C ILE A 63 -2.815 -2.747 -4.091 1.00 25.00 C ATOM 946 O ILE A 63 -2.075 -3.231 -4.950 1.00 25.00 O ATOM 947 CB ILE A 63 -3.204 -0.334 -4.834 1.00 25.00 C ATOM 948 CG1 ILE A 63 -2.926 1.175 -4.587 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.708 -0.507 -5.064 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.634 2.143 -5.515 1.00 25.00 C ATOM 0 H ILE A 63 -0.748 -0.577 -4.120 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.291 -1.086 -2.794 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.645 -0.648 -5.715 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.209 1.413 -3.562 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -1.852 1.344 -4.669 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -5.031 0.154 -5.868 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.918 -1.541 -5.338 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.247 -0.257 -4.150 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.365 3.165 -5.249 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -3.334 1.945 -6.544 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.712 2.015 -5.420 1.00 25.00 H new ATOM 962 N GLY A 64 -3.780 -3.439 -3.471 1.00 25.00 N ATOM 963 CA GLY A 64 -4.023 -4.847 -3.754 1.00 25.00 C ATOM 964 C GLY A 64 -4.929 -5.066 -4.955 1.00 25.00 C ATOM 965 O GLY A 64 -5.676 -4.167 -5.352 1.00 25.00 O ATOM 0 H GLY A 64 -4.403 -3.039 -2.769 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -3.070 -5.346 -3.930 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.471 -5.315 -2.878 1.00 25.00 H new ATOM 969 N LYS A 65 -4.854 -6.274 -5.523 1.00 25.00 N ATOM 970 CA LYS A 65 -5.619 -6.636 -6.721 1.00 25.00 C ATOM 971 C LYS A 65 -7.067 -7.012 -6.411 1.00 25.00 C ATOM 972 O LYS A 65 -7.341 -7.979 -5.691 1.00 25.00 O ATOM 973 CB LYS A 65 -4.935 -7.780 -7.451 1.00 25.00 C ATOM 974 CG LYS A 65 -5.618 -8.136 -8.736 1.00 25.00 C ATOM 975 CD LYS A 65 -4.882 -9.235 -9.455 1.00 25.00 C ATOM 976 CE LYS A 65 -5.591 -9.578 -10.735 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.920 -10.677 -11.482 1.00 25.00 N ATOM 0 H LYS A 65 -4.264 -7.026 -5.167 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.647 -5.750 -7.356 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.900 -7.507 -7.658 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.910 -8.656 -6.803 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.641 -8.452 -8.532 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.678 -7.255 -9.376 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.861 -8.920 -9.669 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.817 -10.117 -8.818 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.617 -9.869 -10.511 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.642 -8.692 -11.367 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.448 -10.875 -12.356 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.949 -10.392 -11.721 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.894 -11.533 -10.892 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.153 -5.641 -9.882 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.261 -4.675 -9.746 1.00 25.00 C ATOM 1021 C GLU A 68 -15.556 -5.126 -10.453 1.00 25.00 C ATOM 1022 O GLU A 68 -16.575 -4.430 -10.392 1.00 25.00 O ATOM 1023 CB GLU A 68 -13.818 -3.296 -10.252 1.00 25.00 C ATOM 1024 CG GLU A 68 -12.726 -2.651 -9.400 1.00 25.00 C ATOM 1025 CD GLU A 68 -12.318 -1.283 -9.911 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -12.859 -0.852 -10.952 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -11.458 -0.641 -9.269 1.00 25.00 O ATOM 0 HA GLU A 68 -14.502 -4.617 -8.685 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -13.458 -3.393 -11.276 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.683 -2.634 -10.280 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.078 -2.560 -8.372 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -11.853 -3.303 -9.381 1.00 25.00 H new ATOM 1034 N SER A 69 -15.509 -6.297 -11.110 1.00 25.00 N ATOM 1035 CA SER A 69 -16.692 -6.900 -11.743 1.00 25.00 C ATOM 1036 C SER A 69 -17.567 -7.655 -10.717 1.00 25.00 C ATOM 1037 O SER A 69 -18.583 -8.259 -11.080 1.00 25.00 O ATOM 1038 CB SER A 69 -16.259 -7.842 -12.875 1.00 25.00 C ATOM 1039 OG SER A 69 -15.760 -9.070 -12.368 1.00 25.00 O ATOM 0 H SER A 69 -14.657 -6.848 -11.216 1.00 25.00 H new ATOM 0 HA SER A 69 -17.297 -6.094 -12.158 1.00 25.00 H new ATOM 0 HB2 SER A 69 -17.107 -8.036 -13.532 1.00 25.00 H new ATOM 0 HB3 SER A 69 -15.492 -7.358 -13.479 1.00 25.00 H new ATOM 0 HG SER A 69 -15.495 -9.648 -13.114 1.00 25.00 H new ATOM 1045 N LYS A 70 -17.162 -7.601 -9.437 1.00 25.00 N ATOM 1046 CA LYS A 70 -17.907 -8.230 -8.332 1.00 25.00 C ATOM 1047 C LYS A 70 -18.910 -7.241 -7.699 1.00 25.00 C ATOM 1048 O LYS A 70 -19.262 -7.358 -6.518 1.00 25.00 O ATOM 1049 CB LYS A 70 -16.928 -8.758 -7.267 1.00 25.00 C ATOM 1050 CG LYS A 70 -16.228 -10.067 -7.653 1.00 25.00 C ATOM 1051 CD LYS A 70 -15.290 -10.586 -6.561 1.00 25.00 C ATOM 1052 CE LYS A 70 -14.616 -11.902 -6.945 1.00 25.00 C ATOM 1053 NZ LYS A 70 -13.554 -12.286 -5.974 1.00 25.00 N ATOM 0 H LYS A 70 -16.312 -7.122 -9.139 1.00 25.00 H new ATOM 0 HA LYS A 70 -18.475 -9.067 -8.738 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -16.172 -7.997 -7.075 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -17.471 -8.910 -6.334 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -16.981 -10.825 -7.869 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -15.659 -9.912 -8.570 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -14.526 -9.836 -6.357 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -15.854 -10.726 -5.639 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -15.365 -12.692 -6.995 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -14.182 -11.811 -7.941 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -13.121 -13.184 -6.270 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -12.826 -11.544 -5.944 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -13.972 -12.398 -5.028 1.00 25.00 H new ATOM 1067 N LYS A 71 -19.365 -6.280 -8.514 1.00 25.00 N ATOM 1068 CA LYS A 71 -20.287 -5.203 -8.087 1.00 25.00 C ATOM 1069 C LYS A 71 -21.485 -5.740 -7.290 1.00 25.00 C ATOM 1070 O LYS A 71 -22.275 -6.546 -7.793 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.796 -4.421 -9.313 1.00 25.00 C ATOM 1072 CG LYS A 71 -19.892 -3.274 -9.758 1.00 25.00 C ATOM 1073 CD LYS A 71 -19.714 -3.263 -11.267 1.00 25.00 C ATOM 1074 CE LYS A 71 -18.786 -2.150 -11.707 1.00 25.00 C ATOM 1075 NZ LYS A 71 -19.051 -1.722 -13.109 1.00 25.00 N ATOM 0 H LYS A 71 -19.105 -6.222 -9.499 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.721 -4.542 -7.431 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -20.916 -5.115 -10.145 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.784 -4.020 -9.087 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -20.319 -2.325 -9.433 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -18.919 -3.367 -9.276 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -19.314 -4.223 -11.594 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -20.684 -3.141 -11.748 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -18.902 -1.296 -11.039 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -17.752 -2.484 -11.620 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -18.394 -0.959 -13.369 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -18.915 -2.530 -13.750 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -20.029 -1.378 -13.188 1.00 25.00 H new ATOM 1089 N ARG A 72 -21.592 -5.280 -6.036 1.00 25.00 N ATOM 1090 CA ARG A 72 -22.604 -5.765 -5.103 1.00 25.00 C ATOM 1091 C ARG A 72 -23.708 -4.713 -4.920 1.00 25.00 C ATOM 1092 O ARG A 72 -23.473 -3.521 -5.125 1.00 25.00 O ATOM 1093 CB ARG A 72 -21.916 -6.097 -3.768 1.00 25.00 C ATOM 1094 CG ARG A 72 -22.861 -6.452 -2.621 1.00 25.00 C ATOM 1095 CD ARG A 72 -22.106 -7.039 -1.434 1.00 25.00 C ATOM 1096 NE ARG A 72 -21.137 -6.089 -0.867 1.00 25.00 N ATOM 1097 CZ ARG A 72 -21.401 -5.213 0.116 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -22.611 -5.135 0.668 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -20.439 -4.409 0.546 1.00 25.00 N ATOM 0 H ARG A 72 -20.979 -4.564 -5.646 1.00 25.00 H new ATOM 0 HA ARG A 72 -23.078 -6.665 -5.494 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -21.233 -6.932 -3.927 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -21.310 -5.242 -3.467 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -23.401 -5.560 -2.304 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -23.605 -7.168 -2.970 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -22.818 -7.333 -0.663 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -21.585 -7.943 -1.748 1.00 25.00 H new ATOM 0 HE ARG A 72 -20.192 -6.096 -1.250 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -23.359 -5.748 0.345 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -22.789 -4.462 1.414 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -19.509 -4.459 0.131 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -20.629 -3.740 1.292 1.00 25.00 H new ATOM 1113 N LYS A 73 -24.913 -5.171 -4.550 1.00 25.00 N ATOM 1114 CA LYS A 73 -26.042 -4.275 -4.275 1.00 25.00 C ATOM 1115 C LYS A 73 -26.623 -4.571 -2.895 1.00 25.00 C ATOM 1116 O LYS A 73 -26.678 -5.729 -2.468 1.00 25.00 O ATOM 1117 CB LYS A 73 -27.139 -4.412 -5.340 1.00 25.00 C ATOM 1118 CG LYS A 73 -26.701 -3.954 -6.715 1.00 25.00 C ATOM 1119 CD LYS A 73 -27.836 -4.018 -7.716 1.00 25.00 C ATOM 1120 CE LYS A 73 -27.358 -3.623 -9.102 1.00 25.00 C ATOM 1121 NZ LYS A 73 -28.429 -3.771 -10.125 1.00 25.00 N ATOM 0 H LYS A 73 -25.129 -6.161 -4.434 1.00 25.00 H new ATOM 0 HA LYS A 73 -25.669 -3.251 -4.301 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -27.454 -5.454 -5.395 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -28.009 -3.832 -5.032 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -26.326 -2.932 -6.656 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -25.876 -4.577 -7.060 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -28.247 -5.027 -7.742 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -28.641 -3.354 -7.402 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -27.013 -2.589 -9.085 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -26.503 -4.240 -9.380 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -28.061 -3.491 -11.056 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -28.741 -4.762 -10.160 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -29.235 -3.163 -9.874 1.00 25.00 H new ATOM 1135 N ASP A 74 -27.057 -3.511 -2.208 1.00 25.00 N ATOM 1136 CA ASP A 74 -27.599 -3.619 -0.848 1.00 25.00 C ATOM 1137 C ASP A 74 -29.104 -3.969 -0.859 1.00 25.00 C ATOM 1138 O ASP A 74 -29.657 -4.278 -1.919 1.00 25.00 O ATOM 1139 CB ASP A 74 -27.318 -2.316 -0.059 1.00 25.00 C ATOM 1140 CG ASP A 74 -28.020 -1.089 -0.626 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -28.906 -1.258 -1.491 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -27.685 0.036 -0.200 1.00 25.00 O ATOM 0 H ASP A 74 -27.044 -2.559 -2.574 1.00 25.00 H new ATOM 0 HA ASP A 74 -27.093 -4.441 -0.341 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -27.630 -2.455 0.976 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -26.243 -2.135 -0.047 1.00 25.00 H new ATOM 1147 N ASN A 75 -29.760 -3.916 0.317 1.00 25.00 N ATOM 1148 CA ASN A 75 -31.182 -4.297 0.463 1.00 25.00 C ATOM 1149 C ASN A 75 -32.124 -3.488 -0.441 1.00 25.00 C ATOM 1150 O ASN A 75 -33.144 -4.008 -0.905 1.00 25.00 O ATOM 1151 CB ASN A 75 -31.625 -4.135 1.923 1.00 25.00 C ATOM 1152 CG ASN A 75 -31.060 -5.205 2.846 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -30.642 -6.278 2.404 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -31.047 -4.918 4.143 1.00 25.00 N ATOM 0 H ASN A 75 -29.325 -3.611 1.187 1.00 25.00 H new ATOM 0 HA ASN A 75 -31.251 -5.340 0.153 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -31.315 -3.154 2.283 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -32.714 -4.162 1.970 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -30.682 -5.596 4.812 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -31.402 -4.019 4.470 1.00 25.00 H new ATOM 1161 N GLU A 76 -31.761 -2.229 -0.706 1.00 25.00 N ATOM 1162 CA GLU A 76 -32.608 -1.323 -1.493 1.00 25.00 C ATOM 1163 C GLU A 76 -32.316 -1.429 -2.997 1.00 25.00 C ATOM 1164 O GLU A 76 -33.135 -1.012 -3.822 1.00 25.00 O ATOM 1165 CB GLU A 76 -32.427 0.125 -1.018 1.00 25.00 C ATOM 1166 CG GLU A 76 -32.898 0.371 0.413 1.00 25.00 C ATOM 1167 CD GLU A 76 -32.700 1.809 0.856 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -32.289 2.637 0.017 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.954 2.105 2.042 1.00 25.00 O ATOM 0 H GLU A 76 -30.886 -1.813 -0.387 1.00 25.00 H new ATOM 0 HA GLU A 76 -33.644 -1.625 -1.336 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -31.373 0.393 -1.094 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.974 0.788 -1.689 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -33.954 0.113 0.493 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -32.356 -0.291 1.088 1.00 25.00 H new ATOM 1176 N GLY A 77 -31.147 -1.994 -3.340 1.00 25.00 N ATOM 1177 CA GLY A 77 -30.775 -2.188 -4.737 1.00 25.00 C ATOM 1178 C GLY A 77 -29.805 -1.139 -5.259 1.00 25.00 C ATOM 1179 O GLY A 77 -29.620 -1.018 -6.473 1.00 25.00 O ATOM 0 H GLY A 77 -30.452 -2.320 -2.668 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -30.326 -3.175 -4.851 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -31.676 -2.175 -5.350 1.00 25.00 H new ATOM 1183 N ASN A 78 -29.187 -0.381 -4.341 1.00 25.00 N ATOM 1184 CA ASN A 78 -28.162 0.607 -4.701 1.00 25.00 C ATOM 1185 C ASN A 78 -26.803 -0.074 -4.842 1.00 25.00 C ATOM 1186 O ASN A 78 -26.517 -1.051 -4.144 1.00 25.00 O ATOM 1187 CB ASN A 78 -28.086 1.724 -3.651 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.362 2.542 -3.564 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -29.739 3.231 -4.512 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -30.028 2.472 -2.419 1.00 25.00 N ATOM 0 H ASN A 78 -29.381 -0.435 -3.341 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.438 1.054 -5.656 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.875 1.285 -2.676 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.253 2.385 -3.890 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.891 3.003 -2.297 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.678 1.887 -1.660 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.968 0.455 -5.746 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.681 -0.162 -6.068 1.00 25.00 C ATOM 1199 C GLU A 79 -23.656 0.077 -4.955 1.00 25.00 C ATOM 1200 O GLU A 79 -23.248 1.216 -4.698 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.153 0.380 -7.405 1.00 25.00 C ATOM 1202 CG GLU A 79 -24.179 1.898 -7.528 1.00 25.00 C ATOM 1203 CD GLU A 79 -25.582 2.479 -7.634 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -26.391 1.941 -8.420 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -25.868 3.471 -6.931 1.00 25.00 O ATOM 0 H GLU A 79 -26.164 1.310 -6.266 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.835 -1.237 -6.156 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -23.128 0.035 -7.543 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.745 -0.047 -8.214 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -23.680 2.333 -6.662 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -23.606 2.192 -8.407 1.00 25.00 H new ATOM 1212 N VAL A 80 -23.262 -1.016 -4.301 1.00 25.00 N ATOM 1213 CA VAL A 80 -22.231 -0.983 -3.267 1.00 25.00 C ATOM 1214 C VAL A 80 -21.019 -1.776 -3.741 1.00 25.00 C ATOM 1215 O VAL A 80 -21.006 -3.011 -3.696 1.00 25.00 O ATOM 1216 CB VAL A 80 -22.731 -1.507 -1.882 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -21.609 -1.452 -0.857 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.943 -0.728 -1.367 1.00 25.00 C ATOM 0 H VAL A 80 -23.647 -1.945 -4.473 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.957 0.060 -3.109 1.00 25.00 H new ATOM 0 HB VAL A 80 -23.043 -2.541 -2.028 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -21.974 -1.820 0.102 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -20.779 -2.074 -1.192 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -21.269 -0.423 -0.745 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -24.251 -1.131 -0.402 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.678 0.323 -1.253 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -24.764 -0.821 -2.078 1.00 25.00 H new ATOM 1228 N VAL A 81 -20.007 -1.047 -4.203 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.852 -1.659 -4.847 1.00 25.00 C ATOM 1230 C VAL A 81 -17.691 -1.875 -3.846 1.00 25.00 C ATOM 1231 O VAL A 81 -17.286 -0.928 -3.166 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.405 -0.838 -6.107 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.158 -1.423 -6.776 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.536 -0.676 -7.128 1.00 25.00 C ATOM 0 H VAL A 81 -19.965 -0.030 -4.142 1.00 25.00 H new ATOM 0 HA VAL A 81 -19.150 -2.647 -5.198 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.146 0.153 -5.735 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -16.892 -0.817 -7.642 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.331 -1.424 -6.066 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.362 -2.444 -7.097 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.176 -0.101 -7.981 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.865 -1.659 -7.466 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.372 -0.153 -6.664 1.00 25.00 H new ATOM 1244 N PRO A 82 -17.143 -3.131 -3.736 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.995 -3.430 -2.854 1.00 25.00 C ATOM 1246 C PRO A 82 -14.699 -2.792 -3.350 1.00 25.00 C ATOM 1247 O PRO A 82 -14.312 -2.956 -4.512 1.00 25.00 O ATOM 1248 CB PRO A 82 -15.890 -4.963 -2.897 1.00 25.00 C ATOM 1249 CG PRO A 82 -16.508 -5.338 -4.195 1.00 25.00 C ATOM 1250 CD PRO A 82 -17.597 -4.369 -4.414 1.00 25.00 C ATOM 0 HA PRO A 82 -16.143 -3.031 -1.850 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -14.852 -5.292 -2.841 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -16.416 -5.421 -2.059 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.778 -5.295 -5.003 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -16.892 -6.358 -4.166 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -17.767 -4.198 -5.477 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -18.537 -4.728 -3.994 1.00 25.00 H new ATOM 1258 N LYS A 83 -14.049 -2.060 -2.451 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.847 -1.287 -2.792 1.00 25.00 C ATOM 1260 C LYS A 83 -11.559 -2.071 -2.483 1.00 25.00 C ATOM 1261 O LYS A 83 -11.546 -2.885 -1.555 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.814 0.054 -2.040 1.00 25.00 C ATOM 1263 CG LYS A 83 -13.918 1.050 -2.435 1.00 25.00 C ATOM 1264 CD LYS A 83 -13.885 2.342 -1.619 1.00 25.00 C ATOM 1265 CE LYS A 83 -14.963 3.334 -2.058 1.00 25.00 C ATOM 1266 NZ LYS A 83 -14.949 4.572 -1.232 1.00 25.00 N ATOM 0 H LYS A 83 -14.332 -1.982 -1.474 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.894 -1.097 -3.864 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.891 -0.144 -0.971 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -11.845 0.524 -2.208 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -13.817 1.293 -3.493 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -14.890 0.573 -2.309 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -14.020 2.106 -0.563 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -12.904 2.807 -1.719 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -14.811 3.595 -3.105 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -15.942 2.861 -1.986 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -15.694 5.218 -1.562 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -15.119 4.327 -0.236 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -14.023 5.038 -1.320 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.605 -1.003 1.284 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.646 -1.151 2.385 1.00 25.00 C ATOM 1337 C HIS A 87 0.300 0.059 2.433 1.00 25.00 C ATOM 1338 O HIS A 87 1.129 0.248 1.539 1.00 25.00 O ATOM 1339 CB HIS A 87 0.154 -2.460 2.229 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.685 -3.705 2.206 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -1.395 -4.154 3.297 1.00 25.00 N ATOM 1342 CD2 HIS A 87 -0.902 -4.611 1.220 1.00 25.00 C ATOM 1343 CE1 HIS A 87 -2.009 -5.283 2.987 1.00 25.00 C ATOM 1344 NE2 HIS A 87 -1.727 -5.580 1.733 1.00 25.00 N ATOM 0 HA HIS A 87 -1.197 -1.196 3.324 1.00 25.00 H new ATOM 0 HB2 HIS A 87 0.732 -2.410 1.306 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.868 -2.534 3.049 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -0.500 -4.576 0.218 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.635 -5.864 3.648 1.00 25.00 H new ATOM 0 HE2 HIS A 87 -2.067 -6.398 1.227 1.00 25.00 H new ATOM 1353 N MET A 88 0.169 0.867 3.495 1.00 25.00 N ATOM 1354 CA MET A 88 0.936 2.114 3.635 1.00 25.00 C ATOM 1355 C MET A 88 2.135 1.919 4.568 1.00 25.00 C ATOM 1356 O MET A 88 2.029 1.259 5.607 1.00 25.00 O ATOM 1357 CB MET A 88 0.028 3.233 4.173 1.00 25.00 C ATOM 1358 CG MET A 88 0.717 4.581 4.384 1.00 25.00 C ATOM 1359 SD MET A 88 -0.425 5.829 4.997 1.00 25.00 S ATOM 1360 CE MET A 88 0.404 6.316 6.507 1.00 25.00 C ATOM 0 H MET A 88 -0.464 0.678 4.273 1.00 25.00 H new ATOM 0 HA MET A 88 1.311 2.396 2.651 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.802 3.371 3.480 1.00 25.00 H new ATOM 0 HB3 MET A 88 -0.399 2.908 5.122 1.00 25.00 H new ATOM 0 HG2 MET A 88 1.539 4.462 5.090 1.00 25.00 H new ATOM 0 HG3 MET A 88 1.152 4.918 3.443 1.00 25.00 H new ATOM 0 HE1 MET A 88 -0.179 7.088 7.009 1.00 25.00 H new ATOM 0 HE2 MET A 88 0.503 5.451 7.163 1.00 25.00 H new ATOM 0 HE3 MET A 88 1.394 6.706 6.269 1.00 25.00 H new ATOM 1370 N PHE A 89 3.270 2.505 4.174 1.00 25.00 N ATOM 1371 CA PHE A 89 4.490 2.484 4.984 1.00 25.00 C ATOM 1372 C PHE A 89 5.060 3.895 5.087 1.00 25.00 C ATOM 1373 O PHE A 89 5.294 4.547 4.070 1.00 25.00 O ATOM 1374 CB PHE A 89 5.570 1.574 4.372 1.00 25.00 C ATOM 1375 CG PHE A 89 5.222 0.112 4.278 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.613 -0.389 3.140 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.506 -0.753 5.319 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.289 -1.725 3.038 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.185 -2.091 5.228 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.573 -2.579 4.088 1.00 25.00 C ATOM 0 H PHE A 89 3.368 3.004 3.290 1.00 25.00 H new ATOM 0 HA PHE A 89 4.220 2.097 5.967 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.800 1.938 3.371 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.480 1.674 4.964 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.388 0.277 2.320 1.00 25.00 H new ATOM 0 HD2 PHE A 89 5.984 -0.377 6.212 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.816 -2.103 2.143 1.00 25.00 H new ATOM 0 HE2 PHE A 89 5.412 -2.758 6.047 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.317 -3.626 4.018 1.00 25.00 H new ATOM 1390 N SER A 90 5.299 4.358 6.314 1.00 25.00 N ATOM 1391 CA SER A 90 5.890 5.680 6.542 1.00 25.00 C ATOM 1392 C SER A 90 7.405 5.640 6.391 1.00 25.00 C ATOM 1393 O SER A 90 8.073 4.731 6.882 1.00 25.00 O ATOM 1394 CB SER A 90 5.504 6.211 7.912 1.00 25.00 C ATOM 1395 OG SER A 90 6.242 7.374 8.240 1.00 25.00 O ATOM 0 H SER A 90 5.093 3.838 7.167 1.00 25.00 H new ATOM 0 HA SER A 90 5.495 6.357 5.785 1.00 25.00 H new ATOM 0 HB2 SER A 90 4.438 6.437 7.929 1.00 25.00 H new ATOM 0 HB3 SER A 90 5.679 5.442 8.665 1.00 25.00 H new ATOM 0 HG SER A 90 6.208 8.005 7.491 1.00 25.00 H new ATOM 1401 N PHE A 91 7.924 6.646 5.704 1.00 25.00 N ATOM 1402 CA PHE A 91 9.340 6.708 5.343 1.00 25.00 C ATOM 1403 C PHE A 91 10.030 7.900 5.986 1.00 25.00 C ATOM 1404 O PHE A 91 9.394 8.711 6.666 1.00 25.00 O ATOM 1405 CB PHE A 91 9.473 6.768 3.819 1.00 25.00 C ATOM 1406 CG PHE A 91 9.585 5.416 3.168 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.600 4.957 2.307 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.687 4.608 3.412 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.717 3.719 1.704 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.804 3.369 2.812 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.817 2.927 1.955 1.00 25.00 C ATOM 0 H PHE A 91 7.379 7.445 5.379 1.00 25.00 H new ATOM 0 HA PHE A 91 9.831 5.810 5.717 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.608 7.289 3.408 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.352 7.359 3.563 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.735 5.571 2.106 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.463 4.952 4.080 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.944 3.371 1.034 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.665 2.749 3.013 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.906 1.961 1.481 1.00 25.00 H new ATOM 1421 N ASN A 92 11.347 7.980 5.783 1.00 25.00 N ATOM 1422 CA ASN A 92 12.156 9.036 6.377 1.00 25.00 C ATOM 1423 C ASN A 92 12.906 9.838 5.300 1.00 25.00 C ATOM 1424 O ASN A 92 13.408 10.931 5.580 1.00 25.00 O ATOM 1425 CB ASN A 92 13.143 8.436 7.396 1.00 25.00 C ATOM 1426 CG ASN A 92 12.455 7.682 8.524 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.801 8.280 9.377 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.602 6.361 8.532 1.00 25.00 N ATOM 0 H ASN A 92 11.873 7.321 5.209 1.00 25.00 H new ATOM 0 HA ASN A 92 11.490 9.725 6.896 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.824 7.760 6.878 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.749 9.237 7.820 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.164 5.804 9.265 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.153 5.905 7.805 1.00 25.00 H new ATOM 1435 N ASN A 93 12.977 9.289 4.066 1.00 25.00 N ATOM 1436 CA ASN A 93 13.642 9.952 2.931 1.00 25.00 C ATOM 1437 C ASN A 93 12.999 9.523 1.609 1.00 25.00 C ATOM 1438 O ASN A 93 12.789 8.329 1.373 1.00 25.00 O ATOM 1439 CB ASN A 93 15.147 9.623 2.889 1.00 25.00 C ATOM 1440 CG ASN A 93 15.932 10.503 1.930 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.357 11.163 1.065 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.252 10.505 2.074 1.00 25.00 N ATOM 0 H ASN A 93 12.577 8.380 3.834 1.00 25.00 H new ATOM 0 HA ASN A 93 13.522 11.027 3.068 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.563 9.730 3.891 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.275 8.580 2.600 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.832 11.069 1.453 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.686 9.942 2.806 1.00 25.00 H new ATOM 1449 N ARG A 94 12.690 10.515 0.751 1.00 25.00 N ATOM 1450 CA ARG A 94 12.097 10.277 -0.583 1.00 25.00 C ATOM 1451 C ARG A 94 13.004 9.465 -1.520 1.00 25.00 C ATOM 1452 O ARG A 94 12.525 8.907 -2.512 1.00 25.00 O ATOM 1453 CB ARG A 94 11.733 11.600 -1.270 1.00 25.00 C ATOM 1454 CG ARG A 94 10.453 12.247 -0.748 1.00 25.00 C ATOM 1455 CD ARG A 94 10.594 12.735 0.686 1.00 25.00 C ATOM 1456 NE ARG A 94 9.423 13.505 1.129 1.00 25.00 N ATOM 1457 CZ ARG A 94 9.336 14.170 2.291 1.00 25.00 C ATOM 1458 NH1 ARG A 94 10.344 14.180 3.161 1.00 25.00 N ATOM 1459 NH2 ARG A 94 8.224 14.832 2.583 1.00 25.00 N ATOM 0 H ARG A 94 12.843 11.501 0.961 1.00 25.00 H new ATOM 0 HA ARG A 94 11.199 9.688 -0.397 1.00 25.00 H new ATOM 0 HB2 ARG A 94 12.558 12.301 -1.143 1.00 25.00 H new ATOM 0 HB3 ARG A 94 11.626 11.423 -2.340 1.00 25.00 H new ATOM 0 HG2 ARG A 94 10.185 13.086 -1.390 1.00 25.00 H new ATOM 0 HG3 ARG A 94 9.636 11.528 -0.806 1.00 25.00 H new ATOM 0 HD2 ARG A 94 10.735 11.880 1.347 1.00 25.00 H new ATOM 0 HD3 ARG A 94 11.487 13.354 0.771 1.00 25.00 H new ATOM 0 HE ARG A 94 8.616 13.536 0.506 1.00 25.00 H new ATOM 0 HH11 ARG A 94 11.205 13.675 2.950 1.00 25.00 H new ATOM 0 HH12 ARG A 94 10.255 14.693 4.038 1.00 25.00 H new ATOM 0 HH21 ARG A 94 7.444 14.833 1.926 1.00 25.00 H new ATOM 0 HH22 ARG A 94 8.149 15.340 3.464 1.00 25.00 H new ATOM 1473 N THR A 95 14.304 9.401 -1.201 1.00 25.00 N ATOM 1474 CA THR A 95 15.280 8.678 -2.029 1.00 25.00 C ATOM 1475 C THR A 95 15.158 7.153 -1.836 1.00 25.00 C ATOM 1476 O THR A 95 15.445 6.389 -2.760 1.00 25.00 O ATOM 1477 CB THR A 95 16.730 9.138 -1.716 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.003 8.971 -0.319 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.955 10.605 -2.085 1.00 25.00 C ATOM 0 H THR A 95 14.705 9.842 -0.373 1.00 25.00 H new ATOM 0 HA THR A 95 15.057 8.913 -3.070 1.00 25.00 H new ATOM 0 HB THR A 95 17.401 8.523 -2.315 1.00 25.00 H new ATOM 0 HG1 THR A 95 17.919 9.261 -0.128 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.982 10.886 -1.850 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.776 10.744 -3.151 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.268 11.232 -1.517 1.00 25.00 H new ATOM 1487 N VAL A 96 14.723 6.726 -0.638 1.00 25.00 N ATOM 1488 CA VAL A 96 14.492 5.299 -0.351 1.00 25.00 C ATOM 1489 C VAL A 96 13.150 4.867 -0.963 1.00 25.00 C ATOM 1490 O VAL A 96 13.129 4.049 -1.874 1.00 25.00 O ATOM 1491 CB VAL A 96 14.510 4.985 1.182 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.154 3.523 1.461 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.864 5.310 1.804 1.00 25.00 C ATOM 0 H VAL A 96 14.524 7.347 0.146 1.00 25.00 H new ATOM 0 HA VAL A 96 15.310 4.735 -0.799 1.00 25.00 H new ATOM 0 HB VAL A 96 13.753 5.622 1.640 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.177 3.342 2.536 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.155 3.312 1.078 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.876 2.872 0.968 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.840 5.080 2.869 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.639 4.714 1.321 1.00 25.00 H new ATOM 0 HG23 VAL A 96 16.083 6.369 1.667 1.00 25.00 H new ATOM 1503 N MET A 97 12.046 5.476 -0.489 1.00 25.00 N ATOM 1504 CA MET A 97 10.676 5.212 -0.981 1.00 25.00 C ATOM 1505 C MET A 97 10.569 5.198 -2.516 1.00 25.00 C ATOM 1506 O MET A 97 9.763 4.448 -3.068 1.00 25.00 O ATOM 1507 CB MET A 97 9.697 6.252 -0.402 1.00 25.00 C ATOM 1508 CG MET A 97 9.911 7.667 -0.873 1.00 25.00 C ATOM 1509 SD MET A 97 8.597 8.794 -0.356 1.00 25.00 S ATOM 1510 CE MET A 97 8.984 9.032 1.374 1.00 25.00 C ATOM 0 H MET A 97 12.079 6.173 0.255 1.00 25.00 H new ATOM 0 HA MET A 97 10.414 4.211 -0.638 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.681 5.951 -0.656 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.773 6.233 0.685 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.865 8.031 -0.490 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.981 7.675 -1.961 1.00 25.00 H new ATOM 0 HE1 MET A 97 8.119 8.765 1.981 1.00 25.00 H new ATOM 0 HE2 MET A 97 9.829 8.400 1.648 1.00 25.00 H new ATOM 0 HE3 MET A 97 9.241 10.077 1.549 1.00 25.00 H new ATOM 1520 N ASP A 98 11.384 6.021 -3.192 1.00 25.00 N ATOM 1521 CA ASP A 98 11.419 6.047 -4.661 1.00 25.00 C ATOM 1522 C ASP A 98 12.262 4.896 -5.226 1.00 25.00 C ATOM 1523 O ASP A 98 12.046 4.484 -6.360 1.00 25.00 O ATOM 1524 CB ASP A 98 11.968 7.397 -5.151 1.00 25.00 C ATOM 1525 CG ASP A 98 10.947 8.521 -5.063 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.741 8.219 -4.945 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.357 9.700 -5.114 1.00 25.00 O ATOM 0 H ASP A 98 12.026 6.676 -2.746 1.00 25.00 H new ATOM 0 HA ASP A 98 10.399 5.920 -5.022 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.844 7.663 -4.560 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.299 7.295 -6.184 1.00 25.00 H new ATOM 1532 N ASN A 99 13.210 4.390 -4.425 1.00 25.00 N ATOM 1533 CA ASN A 99 14.047 3.243 -4.809 1.00 25.00 C ATOM 1534 C ASN A 99 13.364 1.905 -4.484 1.00 25.00 C ATOM 1535 O ASN A 99 13.579 0.915 -5.189 1.00 25.00 O ATOM 1536 CB ASN A 99 15.412 3.323 -4.109 1.00 25.00 C ATOM 1537 CG ASN A 99 16.522 3.840 -5.014 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.793 3.281 -6.081 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.182 4.909 -4.585 1.00 25.00 N ATOM 0 H ASN A 99 13.418 4.761 -3.498 1.00 25.00 H new ATOM 0 HA ASN A 99 14.192 3.288 -5.888 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.329 3.974 -3.239 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.683 2.333 -3.742 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.943 5.296 -5.143 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.928 5.343 -3.697 1.00 25.00 H new ATOM 1546 N ILE A 100 12.544 1.882 -3.412 1.00 25.00 N ATOM 1547 CA ILE A 100 11.707 0.710 -3.090 1.00 25.00 C ATOM 1548 C ILE A 100 10.567 0.613 -4.123 1.00 25.00 C ATOM 1549 O ILE A 100 10.400 -0.423 -4.764 1.00 25.00 O ATOM 1550 CB ILE A 100 11.133 0.769 -1.619 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.249 0.642 -0.540 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.051 -0.297 -1.370 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.093 -0.630 -0.572 1.00 25.00 C ATOM 0 H ILE A 100 12.445 2.659 -2.758 1.00 25.00 H new ATOM 0 HA ILE A 100 12.330 -0.183 -3.140 1.00 25.00 H new ATOM 0 HB ILE A 100 10.676 1.754 -1.526 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.918 1.497 -0.640 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.782 0.716 0.442 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.689 -0.215 -0.345 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.223 -0.143 -2.061 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.475 -1.289 -1.527 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.833 -0.596 0.228 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.448 -1.498 -0.434 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.602 -0.705 -1.533 1.00 25.00 H new ATOM 1565 N LYS A 101 9.817 1.724 -4.294 1.00 25.00 N ATOM 1566 CA LYS A 101 8.773 1.855 -5.326 1.00 25.00 C ATOM 1567 C LYS A 101 9.295 1.469 -6.716 1.00 25.00 C ATOM 1568 O LYS A 101 8.628 0.742 -7.441 1.00 25.00 O ATOM 1569 CB LYS A 101 8.243 3.295 -5.332 1.00 25.00 C ATOM 1570 CG LYS A 101 7.197 3.568 -6.410 1.00 25.00 C ATOM 1571 CD LYS A 101 6.635 4.988 -6.341 1.00 25.00 C ATOM 1572 CE LYS A 101 5.612 5.276 -7.437 1.00 25.00 C ATOM 1573 NZ LYS A 101 5.222 6.715 -7.461 1.00 25.00 N ATOM 0 H LYS A 101 9.922 2.557 -3.715 1.00 25.00 H new ATOM 0 HA LYS A 101 7.963 1.166 -5.084 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.810 3.516 -4.356 1.00 25.00 H new ATOM 0 HB3 LYS A 101 9.080 3.979 -5.471 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.642 3.405 -7.392 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.381 2.853 -6.307 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.170 5.142 -5.367 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.455 5.702 -6.419 1.00 25.00 H new ATOM 0 HE2 LYS A 101 6.027 4.995 -8.405 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.726 4.661 -7.279 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.526 6.874 -8.218 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.804 6.977 -6.545 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 6.064 7.300 -7.637 1.00 25.00 H new ATOM 1587 N MET A 102 10.506 1.939 -7.051 1.00 25.00 N ATOM 1588 CA MET A 102 11.178 1.609 -8.321 1.00 25.00 C ATOM 1589 C MET A 102 11.287 0.087 -8.527 1.00 25.00 C ATOM 1590 O MET A 102 10.886 -0.421 -9.574 1.00 25.00 O ATOM 1591 CB MET A 102 12.568 2.265 -8.329 1.00 25.00 C ATOM 1592 CG MET A 102 13.391 2.052 -9.597 1.00 25.00 C ATOM 1593 SD MET A 102 15.065 2.725 -9.485 1.00 25.00 S ATOM 1594 CE MET A 102 14.735 4.472 -9.244 1.00 25.00 C ATOM 0 H MET A 102 11.049 2.559 -6.450 1.00 25.00 H new ATOM 0 HA MET A 102 10.583 1.996 -9.148 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.445 3.337 -8.173 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.135 1.882 -7.481 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.450 0.984 -9.809 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.876 2.516 -10.438 1.00 25.00 H new ATOM 0 HE1 MET A 102 15.646 5.043 -9.423 1.00 25.00 H new ATOM 0 HE2 MET A 102 13.962 4.796 -9.940 1.00 25.00 H new ATOM 0 HE3 MET A 102 14.396 4.641 -8.222 1.00 25.00 H new ATOM 1604 N THR A 103 11.821 -0.628 -7.518 1.00 25.00 N ATOM 1605 CA THR A 103 11.902 -2.099 -7.550 1.00 25.00 C ATOM 1606 C THR A 103 10.495 -2.702 -7.698 1.00 25.00 C ATOM 1607 O THR A 103 10.205 -3.332 -8.708 1.00 25.00 O ATOM 1608 CB THR A 103 12.602 -2.654 -6.277 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.804 -1.915 -6.021 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.955 -4.140 -6.412 1.00 25.00 C ATOM 0 H THR A 103 12.203 -0.209 -6.670 1.00 25.00 H new ATOM 0 HA THR A 103 12.504 -2.388 -8.412 1.00 25.00 H new ATOM 0 HB THR A 103 11.900 -2.544 -5.450 1.00 25.00 H new ATOM 0 HG1 THR A 103 13.578 -1.056 -5.608 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.442 -4.483 -5.499 1.00 25.00 H new ATOM 0 HG22 THR A 103 12.045 -4.717 -6.576 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.630 -4.278 -7.257 1.00 25.00 H new ATOM 1618 N LEU A 104 9.621 -2.425 -6.706 1.00 25.00 N ATOM 1619 CA LEU A 104 8.210 -2.858 -6.696 1.00 25.00 C ATOM 1620 C LEU A 104 7.564 -2.658 -8.074 1.00 25.00 C ATOM 1621 O LEU A 104 7.155 -3.617 -8.716 1.00 25.00 O ATOM 1622 CB LEU A 104 7.429 -2.021 -5.650 1.00 25.00 C ATOM 1623 CG LEU A 104 7.315 -2.600 -4.231 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.997 -3.960 -4.155 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.935 -1.692 -3.191 1.00 25.00 C ATOM 0 H LEU A 104 9.881 -1.887 -5.879 1.00 25.00 H new ATOM 0 HA LEU A 104 8.175 -3.918 -6.443 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.903 -1.042 -5.578 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.421 -1.860 -6.031 1.00 25.00 H new ATOM 0 HG LEU A 104 6.250 -2.696 -4.018 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.907 -4.356 -3.143 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.521 -4.645 -4.857 1.00 25.00 H new ATOM 0 HD13 LEU A 104 9.051 -3.853 -4.410 1.00 25.00 H new ATOM 0 HD21 LEU A 104 7.830 -2.144 -2.205 1.00 25.00 H new ATOM 0 HD22 LEU A 104 8.992 -1.551 -3.415 1.00 25.00 H new ATOM 0 HD23 LEU A 104 7.430 -0.726 -3.204 1.00 25.00 H new ATOM 1637 N GLN A 105 7.560 -1.398 -8.530 1.00 25.00 N ATOM 1638 CA GLN A 105 7.011 -0.991 -9.846 1.00 25.00 C ATOM 1639 C GLN A 105 7.519 -1.849 -11.017 1.00 25.00 C ATOM 1640 O GLN A 105 6.792 -2.067 -11.992 1.00 25.00 O ATOM 1641 CB GLN A 105 7.363 0.481 -10.116 1.00 25.00 C ATOM 1642 CG GLN A 105 6.704 1.055 -11.367 1.00 25.00 C ATOM 1643 CD GLN A 105 5.184 1.070 -11.296 1.00 25.00 C ATOM 1644 OE1 GLN A 105 4.586 1.604 -10.358 1.00 25.00 O ATOM 1645 NE2 GLN A 105 4.545 0.476 -12.299 1.00 25.00 N ATOM 0 H GLN A 105 7.941 -0.618 -7.995 1.00 25.00 H new ATOM 0 HA GLN A 105 5.932 -1.136 -9.789 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.067 1.079 -9.254 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.445 0.574 -10.212 1.00 25.00 H new ATOM 0 HG2 GLN A 105 7.063 2.072 -11.524 1.00 25.00 H new ATOM 0 HG3 GLN A 105 7.014 0.470 -12.233 1.00 25.00 H new ATOM 0 HE21 GLN A 105 5.074 0.045 -13.057 1.00 25.00 H new ATOM 0 HE22 GLN A 105 3.525 0.451 -12.311 1.00 25.00 H new ATOM 1654 N GLN A 106 8.761 -2.326 -10.905 1.00 25.00 N ATOM 1655 CA GLN A 106 9.387 -3.161 -11.937 1.00 25.00 C ATOM 1656 C GLN A 106 8.979 -4.636 -11.783 1.00 25.00 C ATOM 1657 O GLN A 106 9.078 -5.419 -12.730 1.00 25.00 O ATOM 1658 CB GLN A 106 10.914 -3.005 -11.870 1.00 25.00 C ATOM 1659 CG GLN A 106 11.426 -1.700 -12.489 1.00 25.00 C ATOM 1660 CD GLN A 106 12.949 -1.550 -12.490 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.473 -0.535 -12.947 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.667 -2.539 -11.954 1.00 25.00 N ATOM 0 H GLN A 106 9.361 -2.146 -10.100 1.00 25.00 H new ATOM 0 HA GLN A 106 9.038 -2.828 -12.915 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.230 -3.051 -10.828 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.380 -3.847 -12.382 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.067 -1.635 -13.516 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.992 -0.861 -11.946 1.00 25.00 H new ATOM 0 HE21 GLN A 106 13.199 -3.367 -11.584 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.684 -2.467 -11.914 1.00 25.00 H new ATOM 1671 N ILE A 107 8.525 -4.990 -10.571 1.00 25.00 N ATOM 1672 CA ILE A 107 8.047 -6.343 -10.245 1.00 25.00 C ATOM 1673 C ILE A 107 6.551 -6.525 -10.610 1.00 25.00 C ATOM 1674 O ILE A 107 6.153 -7.621 -11.005 1.00 25.00 O ATOM 1675 CB ILE A 107 8.283 -6.655 -8.723 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.798 -6.552 -8.382 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.720 -8.028 -8.342 1.00 25.00 C ATOM 1678 CD1 ILE A 107 10.150 -6.411 -6.901 1.00 25.00 C ATOM 0 H ILE A 107 8.479 -4.342 -9.785 1.00 25.00 H new ATOM 0 HA ILE A 107 8.621 -7.050 -10.844 1.00 25.00 H new ATOM 0 HB ILE A 107 7.746 -5.912 -8.133 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.297 -7.440 -8.769 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.211 -5.696 -8.915 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.899 -8.214 -7.283 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.648 -8.049 -8.538 1.00 25.00 H new ATOM 0 HG23 ILE A 107 8.212 -8.800 -8.934 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.232 -6.348 -6.789 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.691 -5.506 -6.502 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.778 -7.278 -6.355 1.00 25.00 H new ATOM 1690 N ILE A 108 5.730 -5.466 -10.475 1.00 25.00 N ATOM 1691 CA ILE A 108 4.284 -5.568 -10.787 1.00 25.00 C ATOM 1692 C ILE A 108 4.047 -5.519 -12.300 1.00 25.00 C ATOM 1693 O ILE A 108 3.238 -6.283 -12.824 1.00 25.00 O ATOM 1694 CB ILE A 108 3.418 -4.475 -10.089 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.437 -4.678 -8.571 1.00 25.00 C ATOM 1696 CG2 ILE A 108 1.969 -4.539 -10.597 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.245 -3.417 -7.759 1.00 25.00 C ATOM 0 H ILE A 108 6.032 -4.545 -10.158 1.00 25.00 H new ATOM 0 HA ILE A 108 3.965 -6.532 -10.391 1.00 25.00 H new ATOM 0 HB ILE A 108 3.837 -3.497 -10.327 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.654 -5.388 -8.304 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.388 -5.132 -8.291 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.375 -3.771 -10.102 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.953 -4.371 -11.674 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.549 -5.520 -10.376 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.273 -3.660 -6.697 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.042 -2.710 -7.991 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.281 -2.970 -8.003 1.00 25.00 H new ATOM 1709 N SER A 109 4.751 -4.608 -12.985 1.00 25.00 N ATOM 1710 CA SER A 109 4.738 -4.547 -14.460 1.00 25.00 C ATOM 1711 C SER A 109 5.328 -5.840 -15.056 1.00 25.00 C ATOM 1712 O SER A 109 5.053 -6.198 -16.205 1.00 25.00 O ATOM 1713 CB SER A 109 5.523 -3.322 -14.945 1.00 25.00 C ATOM 1714 OG SER A 109 6.887 -3.393 -14.558 1.00 25.00 O ATOM 0 H SER A 109 5.339 -3.900 -12.544 1.00 25.00 H new ATOM 0 HA SER A 109 3.706 -4.454 -14.798 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.455 -3.251 -16.031 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.074 -2.416 -14.537 1.00 25.00 H new ATOM 0 HG SER A 109 7.004 -2.954 -13.690 1.00 25.00 H new ATOM 1720 N ARG A 110 6.139 -6.520 -14.233 1.00 25.00 N ATOM 1721 CA ARG A 110 6.675 -7.843 -14.509 1.00 25.00 C ATOM 1722 C ARG A 110 5.562 -8.915 -14.483 1.00 25.00 C ATOM 1723 O ARG A 110 5.561 -9.841 -15.299 1.00 25.00 O ATOM 1724 CB ARG A 110 7.738 -8.118 -13.438 1.00 25.00 C ATOM 1725 CG ARG A 110 8.346 -9.489 -13.504 1.00 25.00 C ATOM 1726 CD ARG A 110 9.029 -9.745 -14.839 1.00 25.00 C ATOM 1727 NE ARG A 110 9.466 -11.140 -14.974 1.00 25.00 N ATOM 1728 CZ ARG A 110 8.663 -12.168 -15.283 1.00 25.00 C ATOM 1729 NH1 ARG A 110 7.363 -11.985 -15.518 1.00 25.00 N ATOM 1730 NH2 ARG A 110 9.167 -13.392 -15.364 1.00 25.00 N ATOM 0 H ARG A 110 6.443 -6.147 -13.334 1.00 25.00 H new ATOM 0 HA ARG A 110 7.111 -7.884 -15.507 1.00 25.00 H new ATOM 0 HB2 ARG A 110 8.532 -7.377 -13.533 1.00 25.00 H new ATOM 0 HB3 ARG A 110 7.289 -7.980 -12.454 1.00 25.00 H new ATOM 0 HG2 ARG A 110 9.071 -9.604 -12.698 1.00 25.00 H new ATOM 0 HG3 ARG A 110 7.570 -10.238 -13.344 1.00 25.00 H new ATOM 0 HD2 ARG A 110 8.343 -9.500 -15.650 1.00 25.00 H new ATOM 0 HD3 ARG A 110 9.890 -9.084 -14.939 1.00 25.00 H new ATOM 0 HE ARG A 110 10.454 -11.342 -14.821 1.00 25.00 H new ATOM 0 HH11 ARG A 110 6.962 -11.049 -15.464 1.00 25.00 H new ATOM 0 HH12 ARG A 110 6.770 -12.781 -15.752 1.00 25.00 H new ATOM 0 HH21 ARG A 110 10.160 -13.547 -15.192 1.00 25.00 H new ATOM 0 HH22 ARG A 110 8.561 -14.178 -15.599 1.00 25.00 H new ATOM 1744 N TYR A 111 4.626 -8.764 -13.532 1.00 25.00 N ATOM 1745 CA TYR A 111 3.437 -9.628 -13.425 1.00 25.00 C ATOM 1746 C TYR A 111 2.253 -9.072 -14.229 1.00 25.00 C ATOM 1747 O TYR A 111 1.216 -9.732 -14.364 1.00 25.00 O ATOM 1748 CB TYR A 111 3.041 -9.806 -11.958 1.00 25.00 C ATOM 1749 CG TYR A 111 4.049 -10.610 -11.168 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.833 -10.010 -10.195 1.00 25.00 C ATOM 1751 CD2 TYR A 111 4.227 -11.972 -11.411 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.767 -10.735 -9.489 1.00 25.00 C ATOM 1753 CE2 TYR A 111 5.156 -12.701 -10.706 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.872 -12.085 -9.690 1.00 25.00 C ATOM 1755 OH TYR A 111 6.858 -12.805 -9.053 1.00 25.00 O ATOM 0 H TYR A 111 4.671 -8.040 -12.815 1.00 25.00 H new ATOM 0 HA TYR A 111 3.697 -10.598 -13.848 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.925 -8.825 -11.497 1.00 25.00 H new ATOM 0 HB3 TYR A 111 2.070 -10.299 -11.907 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.709 -8.957 -9.987 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.627 -12.461 -12.164 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.414 -10.241 -8.780 1.00 25.00 H new ATOM 0 HE2 TYR A 111 5.326 -13.741 -10.941 1.00 25.00 H new ATOM 0 HH TYR A 111 7.434 -13.233 -9.721 1.00 25.00 H new ATOM 1765 N LYS A 112 2.428 -7.858 -14.766 1.00 25.00 N ATOM 1766 CA LYS A 112 1.413 -7.194 -15.588 1.00 25.00 C ATOM 1767 C LYS A 112 1.550 -7.631 -17.053 1.00 25.00 C ATOM 1768 O LYS A 112 0.563 -7.688 -17.792 1.00 25.00 O ATOM 1769 CB LYS A 112 1.576 -5.673 -15.466 1.00 25.00 C ATOM 1770 CG LYS A 112 0.507 -4.863 -16.196 1.00 25.00 C ATOM 1771 CD LYS A 112 0.685 -3.342 -16.039 1.00 25.00 C ATOM 1772 CE LYS A 112 -0.378 -2.517 -16.779 1.00 25.00 C ATOM 1773 NZ LYS A 112 -0.272 -2.646 -18.262 1.00 25.00 N ATOM 0 H LYS A 112 3.279 -7.309 -14.642 1.00 25.00 H new ATOM 0 HA LYS A 112 0.421 -7.477 -15.237 1.00 25.00 H new ATOM 0 HB2 LYS A 112 1.562 -5.402 -14.410 1.00 25.00 H new ATOM 0 HB3 LYS A 112 2.555 -5.393 -15.854 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.528 -5.117 -17.256 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -0.475 -5.148 -15.820 1.00 25.00 H new ATOM 0 HD2 LYS A 112 0.656 -3.089 -14.979 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.672 -3.061 -16.407 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -1.370 -2.838 -16.460 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -0.278 -1.468 -16.501 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -1.011 -2.071 -18.714 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 0.663 -2.315 -18.573 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -0.395 -3.642 -18.533 1.00 25.00 H new