USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 99 ASN : amide:sc= -0.794 K(o=-3.6,f=-7) USER MOD Set 1.2: A 102 MET CE :methyl -168:sc= -2.78! (180deg=-3.22!) USER MOD Set 2.1: A 59 MET CE :methyl -151:sc= -0.541 (180deg=-2.09!) USER MOD Set 2.2: A 88 MET CE :methyl -147:sc= -0.173 (180deg=-0.258) USER MOD Set 3.1: A 51 THR OG1 : rot -69:sc= 1.09 USER MOD Set 3.2: A 97 MET CE :methyl -148:sc= -1.78 (180deg=-5.23!) USER MOD Set 4.1: A 13 SER OG : rot 60:sc= 0.837 USER MOD Set 4.2: A 32 THR OG1 : rot -107:sc= 1.09 USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= -0.0285 USER MOD Set 6.1: A 2 SER OG : rot 180:sc= 0.0566 USER MOD Set 6.2: A 3 HIS : no HE2:sc= -0.0421 K(o=0.015,f=-1.7) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0777 K(o=0.078,f=-2.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 60:sc= 0.431 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.449 (180deg=-1.07) USER MOD Single : A 38 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-3.5!) USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 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 -131:sc= -4.93! (180deg=-5.14!) 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+ -160:sc= 0.536 (180deg=0.306) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0163 (180deg=-0.209) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 78 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0231) USER MOD Single : A 85 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.039) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -1.91 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 93 ASN : amide:sc= -1.95 K(o=-2,f=-2.5) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 144:sc= -0.285 (180deg=-1.02) USER MOD Single : A 103 THR OG1 : rot -96:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 109 SER OG : rot 88:sc= 1.21 USER MOD Single : A 111 TYR OH : rot 165:sc=-0.00383 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.234 -4.156 11.152 1.00 0.00 N ATOM 18 CA SER A 2 -10.107 -4.209 12.078 1.00 0.00 C ATOM 19 C SER A 2 -9.116 -5.294 11.672 1.00 0.00 C ATOM 20 O SER A 2 -9.384 -6.486 11.833 1.00 0.00 O ATOM 21 CB SER A 2 -10.603 -4.463 13.503 1.00 0.00 C ATOM 22 OG SER A 2 -9.600 -4.153 14.455 1.00 0.00 O ATOM 0 HA SER A 2 -9.597 -3.247 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.490 -3.860 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.898 -5.507 13.608 1.00 0.00 H new ATOM 0 HG SER A 2 -9.942 -4.322 15.358 1.00 0.00 H new ATOM 28 N HIS A 3 -7.970 -4.874 11.148 1.00 0.00 N ATOM 29 CA HIS A 3 -6.933 -5.808 10.719 1.00 0.00 C ATOM 30 C HIS A 3 -7.422 -6.683 9.576 1.00 0.00 C ATOM 31 O HIS A 3 -7.028 -7.843 9.449 1.00 0.00 O ATOM 32 CB HIS A 3 -6.482 -6.670 11.895 1.00 0.00 C ATOM 33 CG HIS A 3 -5.881 -5.871 13.003 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.636 -5.219 13.955 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.589 -5.601 13.300 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.834 -4.580 14.787 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.587 -4.796 14.413 1.00 0.00 N ATOM 0 H HIS A 3 -7.734 -3.891 11.009 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.082 -5.230 10.358 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.336 -7.229 12.278 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.754 -7.402 11.545 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.655 -5.229 14.008 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.721 -5.953 12.762 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.146 -3.982 15.631 1.00 0.00 H new ATOM 46 N SER A 4 -8.271 -6.108 8.737 1.00 0.00 N ATOM 47 CA SER A 4 -8.812 -6.812 7.584 1.00 0.00 C ATOM 48 C SER A 4 -9.790 -5.931 6.822 1.00 0.00 C ATOM 49 O SER A 4 -10.153 -4.846 7.277 1.00 0.00 O ATOM 50 CB SER A 4 -9.509 -8.110 7.999 1.00 0.00 C ATOM 51 OG SER A 4 -10.536 -7.860 8.944 1.00 0.00 O ATOM 0 H SER A 4 -8.602 -5.148 8.835 1.00 0.00 H new ATOM 0 HA SER A 4 -7.973 -7.060 6.934 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.931 -8.597 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.779 -8.798 8.425 1.00 0.00 H new ATOM 0 HG SER A 4 -10.966 -8.705 9.191 1.00 0.00 H new ATOM 57 N GLY A 5 -10.214 -6.410 5.662 1.00 0.00 N ATOM 58 CA GLY A 5 -11.149 -5.662 4.850 1.00 0.00 C ATOM 59 C GLY A 5 -11.065 -6.037 3.393 1.00 0.00 C ATOM 60 O GLY A 5 -10.021 -5.887 2.759 1.00 0.00 O ATOM 0 H GLY A 5 -9.926 -7.306 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.162 -5.838 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.952 -4.596 4.961 1.00 0.00 H new ATOM 64 N ALA A 6 -12.173 -6.535 2.864 1.00 0.00 N ATOM 65 CA ALA A 6 -12.236 -6.946 1.470 1.00 0.00 C ATOM 66 C ALA A 6 -11.638 -5.887 0.550 1.00 0.00 C ATOM 67 O ALA A 6 -12.210 -4.813 0.360 1.00 0.00 O ATOM 68 CB ALA A 6 -13.666 -7.270 1.088 1.00 0.00 C ATOM 0 H ALA A 6 -13.043 -6.664 3.381 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.636 -7.848 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.703 -7.577 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.036 -8.080 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.289 -6.387 1.229 1.00 0.00 H new ATOM 74 N ALA A 7 -10.471 -6.198 -0.004 1.00 0.00 N ATOM 75 CA ALA A 7 -9.765 -5.275 -0.891 1.00 0.00 C ATOM 76 C ALA A 7 -9.477 -5.905 -2.253 1.00 0.00 C ATOM 77 O ALA A 7 -9.344 -7.122 -2.369 1.00 0.00 O ATOM 78 CB ALA A 7 -8.461 -4.833 -0.242 1.00 0.00 C ATOM 0 H ALA A 7 -9.991 -7.085 0.145 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.410 -4.411 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.938 -4.145 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.676 -4.332 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.834 -5.705 -0.056 1.00 0.00 H new ATOM 84 N ILE A 8 -9.363 -5.069 -3.281 1.00 0.00 N ATOM 85 CA ILE A 8 -9.068 -5.553 -4.625 1.00 0.00 C ATOM 86 C ILE A 8 -7.593 -5.376 -4.940 1.00 0.00 C ATOM 87 O ILE A 8 -7.055 -4.272 -4.855 1.00 0.00 O ATOM 88 CB ILE A 8 -9.925 -4.843 -5.702 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.267 -5.556 -5.845 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.217 -4.783 -7.052 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.441 -4.709 -5.438 1.00 0.00 C ATOM 0 H ILE A 8 -9.470 -4.057 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.320 -6.613 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.085 -3.816 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.396 -5.868 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.255 -6.462 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.856 -4.277 -7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.281 -4.234 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.008 -5.795 -7.398 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.362 -5.278 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.335 -4.419 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.478 -3.815 -6.061 1.00 0.00 H new ATOM 103 N PHE A 9 -6.948 -6.469 -5.305 1.00 0.00 N ATOM 104 CA PHE A 9 -5.526 -6.430 -5.637 1.00 0.00 C ATOM 105 C PHE A 9 -5.300 -6.724 -7.114 1.00 0.00 C ATOM 106 O PHE A 9 -5.812 -7.708 -7.646 1.00 0.00 O ATOM 107 CB PHE A 9 -4.744 -7.426 -4.780 1.00 0.00 C ATOM 108 CG PHE A 9 -3.256 -7.245 -4.869 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.678 -6.012 -4.614 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.434 -8.308 -5.211 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.310 -5.840 -4.696 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.064 -8.142 -5.297 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.502 -6.907 -5.038 1.00 0.00 C ATOM 0 H PHE A 9 -7.378 -7.391 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.164 -5.424 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.054 -7.322 -3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.999 -8.440 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.305 -5.174 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.868 -9.276 -5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.873 -4.873 -4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.434 -8.977 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.568 -6.776 -5.103 1.00 0.00 H new ATOM 123 N GLU A 10 -4.528 -5.865 -7.773 1.00 0.00 N ATOM 124 CA GLU A 10 -4.235 -6.034 -9.192 1.00 0.00 C ATOM 125 C GLU A 10 -5.517 -6.086 -10.008 1.00 0.00 C ATOM 126 O GLU A 10 -5.602 -6.811 -10.998 1.00 0.00 O ATOM 127 CB GLU A 10 -3.422 -7.310 -9.414 1.00 0.00 C ATOM 128 CG GLU A 10 -2.155 -7.375 -8.578 1.00 0.00 C ATOM 129 CD GLU A 10 -1.319 -8.604 -8.875 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.826 -9.516 -9.563 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.158 -8.657 -8.420 1.00 0.00 O ATOM 0 H GLU A 10 -4.095 -5.046 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.651 -5.176 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.045 -8.173 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.156 -7.383 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.558 -6.482 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.422 -7.369 -7.521 1.00 0.00 H new ATOM 138 N LYS A 11 -6.523 -5.325 -9.576 1.00 0.00 N ATOM 139 CA LYS A 11 -7.811 -5.299 -10.259 1.00 0.00 C ATOM 140 C LYS A 11 -8.602 -6.564 -9.942 1.00 0.00 C ATOM 141 O LYS A 11 -9.715 -6.752 -10.434 1.00 0.00 O ATOM 142 CB LYS A 11 -7.630 -5.156 -11.774 1.00 0.00 C ATOM 143 CG LYS A 11 -6.642 -4.070 -12.169 1.00 0.00 C ATOM 144 CD LYS A 11 -7.113 -2.697 -11.719 1.00 0.00 C ATOM 145 CE LYS A 11 -6.203 -1.597 -12.241 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.956 -0.349 -12.541 1.00 0.00 N ATOM 0 H LYS A 11 -6.468 -4.720 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.366 -4.432 -9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.293 -6.109 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.597 -4.939 -12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.669 -4.284 -11.728 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.509 -4.074 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.130 -2.527 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.142 -2.660 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.429 -1.385 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.698 -1.942 -13.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.300 0.376 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.678 -0.544 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.418 -0.005 -11.675 1.00 0.00 H new ATOM 160 N VAL A 12 -8.028 -7.424 -9.099 1.00 0.00 N ATOM 161 CA VAL A 12 -8.686 -8.650 -8.699 1.00 0.00 C ATOM 162 C VAL A 12 -9.293 -8.476 -7.329 1.00 0.00 C ATOM 163 O VAL A 12 -8.847 -7.646 -6.541 1.00 0.00 O ATOM 164 CB VAL A 12 -7.722 -9.851 -8.698 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.330 -11.048 -7.974 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.379 -10.216 -10.122 1.00 0.00 C ATOM 0 H VAL A 12 -7.107 -7.286 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.468 -8.860 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.814 -9.570 -8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.625 -11.879 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.547 -10.777 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.253 -11.345 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.697 -11.066 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.290 -10.480 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.903 -9.366 -10.611 1.00 0.00 H new ATOM 176 N SER A 13 -10.318 -9.247 -7.054 1.00 0.00 N ATOM 177 CA SER A 13 -10.993 -9.142 -5.773 1.00 0.00 C ATOM 178 C SER A 13 -10.504 -10.175 -4.771 1.00 0.00 C ATOM 179 O SER A 13 -10.105 -11.281 -5.130 1.00 0.00 O ATOM 180 CB SER A 13 -12.495 -9.253 -5.952 1.00 0.00 C ATOM 181 OG SER A 13 -12.857 -10.493 -6.537 1.00 0.00 O ATOM 0 H SER A 13 -10.703 -9.947 -7.688 1.00 0.00 H new ATOM 0 HA SER A 13 -10.751 -8.160 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.987 -9.148 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.849 -8.436 -6.580 1.00 0.00 H new ATOM 0 HG SER A 13 -12.562 -11.226 -5.958 1.00 0.00 H new ATOM 187 N GLY A 14 -10.543 -9.780 -3.506 1.00 0.00 N ATOM 188 CA GLY A 14 -10.113 -10.630 -2.419 1.00 0.00 C ATOM 189 C GLY A 14 -10.159 -9.876 -1.111 1.00 0.00 C ATOM 190 O GLY A 14 -10.528 -8.704 -1.091 1.00 0.00 O ATOM 0 H GLY A 14 -10.874 -8.861 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.754 -11.510 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.100 -10.985 -2.606 1.00 0.00 H new ATOM 194 N ILE A 15 -9.787 -10.522 -0.017 1.00 0.00 N ATOM 195 CA ILE A 15 -9.798 -9.843 1.267 1.00 0.00 C ATOM 196 C ILE A 15 -8.387 -9.528 1.715 1.00 0.00 C ATOM 197 O ILE A 15 -7.467 -10.325 1.531 1.00 0.00 O ATOM 198 CB ILE A 15 -10.533 -10.643 2.374 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.039 -10.774 2.079 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.341 -9.969 3.733 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.462 -10.367 0.682 1.00 0.00 C ATOM 0 H ILE A 15 -9.480 -11.494 0.009 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.354 -8.918 1.117 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.099 -11.643 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.336 -11.810 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.588 -10.167 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.862 -10.542 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.278 -9.927 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.745 -8.957 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.539 -10.496 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.204 -9.322 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.948 -10.990 -0.050 1.00 0.00 H new ATOM 213 N ILE A 16 -8.231 -8.362 2.314 1.00 0.00 N ATOM 214 CA ILE A 16 -6.941 -7.932 2.804 1.00 0.00 C ATOM 215 C ILE A 16 -6.942 -8.023 4.320 1.00 0.00 C ATOM 216 O ILE A 16 -7.747 -7.380 4.987 1.00 0.00 O ATOM 217 CB ILE A 16 -6.618 -6.484 2.341 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.386 -6.474 1.433 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.412 -5.541 3.517 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.042 -5.099 0.899 1.00 0.00 C ATOM 0 H ILE A 16 -8.987 -7.696 2.472 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.166 -8.581 2.396 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.480 -6.125 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.532 -6.864 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.557 -7.149 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.189 -4.541 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.318 -5.510 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.581 -5.896 4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.159 -5.166 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.880 -4.715 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.839 -4.425 1.732 1.00 0.00 H new ATOM 232 N ALA A 17 -6.058 -8.849 4.852 1.00 0.00 N ATOM 233 CA ALA A 17 -5.980 -9.045 6.289 1.00 0.00 C ATOM 234 C ALA A 17 -4.609 -8.655 6.824 1.00 0.00 C ATOM 235 O ALA A 17 -3.585 -8.915 6.192 1.00 0.00 O ATOM 236 CB ALA A 17 -6.320 -10.488 6.628 1.00 0.00 C ATOM 0 H ALA A 17 -5.386 -9.394 4.312 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.708 -8.394 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.261 -10.632 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.330 -10.714 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.613 -11.154 6.134 1.00 0.00 H new ATOM 242 N ILE A 18 -4.602 -8.009 7.983 1.00 0.00 N ATOM 243 CA ILE A 18 -3.366 -7.554 8.602 1.00 0.00 C ATOM 244 C ILE A 18 -3.123 -8.246 9.941 1.00 0.00 C ATOM 245 O ILE A 18 -4.049 -8.454 10.722 1.00 0.00 O ATOM 246 CB ILE A 18 -3.400 -6.025 8.801 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.513 -5.329 7.442 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.168 -5.542 9.556 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.802 -3.849 7.539 1.00 0.00 C ATOM 0 H ILE A 18 -5.444 -7.788 8.515 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.546 -7.814 7.933 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.273 -5.771 9.402 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.583 -5.473 6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.303 -5.807 6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.219 -4.460 9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.131 -6.020 10.535 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.271 -5.800 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.868 -3.425 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.747 -3.696 8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.000 -3.357 8.089 1.00 0.00 H new ATOM 261 N ASN A 19 -1.866 -8.597 10.195 1.00 0.00 N ATOM 262 CA ASN A 19 -1.494 -9.262 11.437 1.00 0.00 C ATOM 263 C ASN A 19 -0.378 -8.500 12.143 1.00 0.00 C ATOM 264 O ASN A 19 0.757 -8.457 11.664 1.00 0.00 O ATOM 265 CB ASN A 19 -1.050 -10.699 11.159 1.00 0.00 C ATOM 266 CG ASN A 19 -0.953 -11.530 12.424 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.457 -11.140 13.476 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.300 -12.683 12.325 1.00 0.00 N ATOM 0 H ASN A 19 -1.088 -8.431 9.556 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.368 -9.281 12.088 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.755 -11.168 10.473 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.081 -10.687 10.661 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.201 -13.285 13.143 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.102 -12.966 11.431 1.00 0.00 H new ATOM 275 N GLU A 20 -0.706 -7.900 13.283 1.00 0.00 N ATOM 276 CA GLU A 20 0.271 -7.141 14.055 1.00 0.00 C ATOM 277 C GLU A 20 0.914 -8.006 15.137 1.00 0.00 C ATOM 278 O GLU A 20 1.667 -7.508 15.974 1.00 0.00 O ATOM 279 CB GLU A 20 -0.388 -5.915 14.690 1.00 0.00 C ATOM 280 CG GLU A 20 -0.965 -4.941 13.674 1.00 0.00 C ATOM 281 CD GLU A 20 -1.518 -3.684 14.319 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.656 -3.664 15.560 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.812 -2.721 13.581 1.00 0.00 O ATOM 0 H GLU A 20 -1.640 -7.925 13.692 1.00 0.00 H new ATOM 0 HA GLU A 20 1.053 -6.812 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.184 -6.245 15.357 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.347 -5.394 15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.190 -4.667 12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.757 -5.435 13.112 1.00 0.00 H new ATOM 290 N ASP A 21 0.626 -9.303 15.107 1.00 0.00 N ATOM 291 CA ASP A 21 1.189 -10.230 16.077 1.00 0.00 C ATOM 292 C ASP A 21 2.611 -10.613 15.681 1.00 0.00 C ATOM 293 O ASP A 21 3.382 -11.111 16.502 1.00 0.00 O ATOM 294 CB ASP A 21 0.322 -11.486 16.174 1.00 0.00 C ATOM 295 CG ASP A 21 0.730 -12.386 17.324 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.484 -11.921 18.203 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.293 -13.557 17.345 1.00 0.00 O ATOM 0 H ASP A 21 0.006 -9.734 14.421 1.00 0.00 H new ATOM 0 HA ASP A 21 1.213 -9.739 17.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.721 -11.195 16.297 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.389 -12.043 15.239 1.00 0.00 H new ATOM 302 N VAL A 22 2.949 -10.376 14.417 1.00 0.00 N ATOM 303 CA VAL A 22 4.276 -10.695 13.910 1.00 0.00 C ATOM 304 C VAL A 22 5.101 -9.434 13.693 1.00 0.00 C ATOM 305 O VAL A 22 4.563 -8.334 13.565 1.00 0.00 O ATOM 306 CB VAL A 22 4.206 -11.507 12.593 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.055 -11.025 11.720 1.00 0.00 C ATOM 308 CG2 VAL A 22 5.518 -11.456 11.819 1.00 0.00 C ATOM 0 H VAL A 22 2.321 -9.964 13.727 1.00 0.00 H new ATOM 0 HA VAL A 22 4.763 -11.309 14.667 1.00 0.00 H new ATOM 0 HB VAL A 22 4.027 -12.547 12.867 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.026 -11.610 10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.115 -11.147 12.258 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.199 -9.973 11.476 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.423 -12.039 10.903 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.752 -10.422 11.568 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.318 -11.871 12.432 1.00 0.00 H new ATOM 318 N SER A 23 6.411 -9.614 13.653 1.00 0.00 N ATOM 319 CA SER A 23 7.334 -8.506 13.451 1.00 0.00 C ATOM 320 C SER A 23 8.354 -8.840 12.360 1.00 0.00 C ATOM 321 O SER A 23 9.090 -9.821 12.473 1.00 0.00 O ATOM 322 CB SER A 23 8.054 -8.185 14.756 1.00 0.00 C ATOM 323 OG SER A 23 7.232 -7.418 15.619 1.00 0.00 O ATOM 0 H SER A 23 6.863 -10.522 13.758 1.00 0.00 H new ATOM 0 HA SER A 23 6.762 -7.635 13.132 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.343 -9.111 15.253 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.972 -7.638 14.543 1.00 0.00 H new ATOM 0 HG SER A 23 7.717 -7.228 16.449 1.00 0.00 H new ATOM 329 N PRO A 24 8.419 -8.030 11.285 1.00 0.00 N ATOM 330 CA PRO A 24 7.568 -6.854 11.107 1.00 0.00 C ATOM 331 C PRO A 24 6.154 -7.235 10.686 1.00 0.00 C ATOM 332 O PRO A 24 5.967 -8.109 9.840 1.00 0.00 O ATOM 333 CB PRO A 24 8.255 -6.052 9.990 1.00 0.00 C ATOM 334 CG PRO A 24 9.498 -6.806 9.629 1.00 0.00 C ATOM 335 CD PRO A 24 9.333 -8.204 10.155 1.00 0.00 C ATOM 0 HA PRO A 24 7.462 -6.293 12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.599 -5.949 9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.497 -5.044 10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.643 -6.815 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.377 -6.331 10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.918 -8.872 9.400 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.285 -8.631 10.469 1.00 0.00 H new ATOM 343 N ALA A 25 5.161 -6.574 11.277 1.00 0.00 N ATOM 344 CA ALA A 25 3.763 -6.843 10.952 1.00 0.00 C ATOM 345 C ALA A 25 3.572 -6.951 9.442 1.00 0.00 C ATOM 346 O ALA A 25 4.192 -6.211 8.679 1.00 0.00 O ATOM 347 CB ALA A 25 2.868 -5.755 11.526 1.00 0.00 C ATOM 0 H ALA A 25 5.298 -5.850 11.982 1.00 0.00 H new ATOM 0 HA ALA A 25 3.483 -7.796 11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.829 -5.969 11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.981 -5.725 12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.152 -4.791 11.104 1.00 0.00 H new ATOM 353 N GLU A 26 2.734 -7.886 9.012 1.00 0.00 N ATOM 354 CA GLU A 26 2.500 -8.088 7.586 1.00 0.00 C ATOM 355 C GLU A 26 1.015 -8.060 7.240 1.00 0.00 C ATOM 356 O GLU A 26 0.155 -8.294 8.090 1.00 0.00 O ATOM 357 CB GLU A 26 3.108 -9.418 7.141 1.00 0.00 C ATOM 358 CG GLU A 26 4.567 -9.582 7.529 1.00 0.00 C ATOM 359 CD GLU A 26 5.183 -10.851 6.971 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.425 -11.706 6.466 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.423 -10.988 7.036 1.00 0.00 O ATOM 0 H GLU A 26 2.209 -8.512 9.623 1.00 0.00 H new ATOM 0 HA GLU A 26 2.980 -7.265 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.532 -10.235 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.017 -9.505 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.132 -8.721 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.651 -9.590 8.616 1.00 0.00 H new ATOM 368 N LEU A 27 0.736 -7.790 5.972 1.00 0.00 N ATOM 369 CA LEU A 27 -0.626 -7.742 5.460 1.00 0.00 C ATOM 370 C LEU A 27 -0.772 -8.757 4.335 1.00 0.00 C ATOM 371 O LEU A 27 0.054 -8.800 3.426 1.00 0.00 O ATOM 372 CB LEU A 27 -0.951 -6.334 4.950 1.00 0.00 C ATOM 373 CG LEU A 27 -2.246 -6.213 4.141 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.805 -4.802 4.238 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.003 -6.593 2.687 1.00 0.00 C ATOM 0 H LEU A 27 1.449 -7.598 5.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.324 -7.986 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.012 -5.661 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.122 -5.989 4.332 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.980 -6.902 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.725 -4.734 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.016 -4.565 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.075 -4.094 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.933 -6.501 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.254 -5.928 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.648 -7.622 2.634 1.00 0.00 H new ATOM 387 N THR A 28 -1.805 -9.589 4.404 1.00 0.00 N ATOM 388 CA THR A 28 -2.009 -10.611 3.386 1.00 0.00 C ATOM 389 C THR A 28 -3.355 -10.469 2.684 1.00 0.00 C ATOM 390 O THR A 28 -4.407 -10.447 3.320 1.00 0.00 O ATOM 391 CB THR A 28 -1.900 -12.004 4.010 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.705 -12.122 4.761 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.913 -13.119 2.989 1.00 0.00 C ATOM 0 H THR A 28 -2.506 -9.577 5.145 1.00 0.00 H new ATOM 0 HA THR A 28 -1.230 -10.477 2.636 1.00 0.00 H new ATOM 0 HB THR A 28 -2.779 -12.107 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.653 -13.018 5.154 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.833 -14.079 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.845 -13.084 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.071 -12.998 2.307 1.00 0.00 H new ATOM 401 N TRP A 29 -3.301 -10.397 1.358 1.00 0.00 N ATOM 402 CA TRP A 29 -4.484 -10.283 0.534 1.00 0.00 C ATOM 403 C TRP A 29 -4.832 -11.645 -0.054 1.00 0.00 C ATOM 404 O TRP A 29 -3.982 -12.307 -0.649 1.00 0.00 O ATOM 405 CB TRP A 29 -4.239 -9.287 -0.598 1.00 0.00 C ATOM 406 CG TRP A 29 -5.378 -9.213 -1.560 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.578 -8.623 -1.338 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.432 -9.761 -2.881 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.383 -8.753 -2.443 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.700 -9.452 -3.407 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.530 -10.479 -3.672 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.089 -9.836 -4.687 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.918 -10.861 -4.944 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.186 -10.538 -5.440 1.00 0.00 C ATOM 0 H TRP A 29 -2.429 -10.417 0.829 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.312 -9.929 1.149 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.063 -8.298 -0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.334 -9.570 -1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.860 -8.123 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.332 -8.390 -2.533 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.549 -10.731 -3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.067 -9.589 -5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.231 -11.418 -5.564 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.458 -10.849 -6.438 1.00 0.00 H new ATOM 425 N ARG A 30 -6.077 -12.059 0.113 1.00 0.00 N ATOM 426 CA ARG A 30 -6.517 -13.347 -0.409 1.00 0.00 C ATOM 427 C ARG A 30 -7.742 -13.186 -1.299 1.00 0.00 C ATOM 428 O ARG A 30 -8.795 -12.739 -0.848 1.00 0.00 O ATOM 429 CB ARG A 30 -6.822 -14.311 0.738 1.00 0.00 C ATOM 430 CG ARG A 30 -7.286 -15.682 0.275 1.00 0.00 C ATOM 431 CD ARG A 30 -7.114 -16.727 1.366 1.00 0.00 C ATOM 432 NE ARG A 30 -7.714 -18.008 0.997 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.021 -18.252 1.033 1.00 0.00 C ATOM 434 NH1 ARG A 30 -9.870 -17.307 1.422 1.00 0.00 N ATOM 435 NH2 ARG A 30 -9.483 -19.443 0.682 1.00 0.00 N ATOM 0 H ARG A 30 -6.798 -11.528 0.602 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.709 -13.760 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.928 -14.427 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.590 -13.873 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.334 -15.632 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.720 -15.980 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.052 -16.869 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.569 -16.366 2.289 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.094 -18.759 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.521 -16.388 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.871 -17.500 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.836 -20.173 0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.485 -19.630 0.710 1.00 0.00 H new ATOM 449 N SER A 31 -7.594 -13.555 -2.568 1.00 0.00 N ATOM 450 CA SER A 31 -8.689 -13.453 -3.531 1.00 0.00 C ATOM 451 C SER A 31 -9.988 -13.991 -2.938 1.00 0.00 C ATOM 452 O SER A 31 -9.980 -14.656 -1.901 1.00 0.00 O ATOM 453 CB SER A 31 -8.342 -14.216 -4.811 1.00 0.00 C ATOM 454 OG SER A 31 -7.124 -13.751 -5.367 1.00 0.00 O ATOM 0 H SER A 31 -6.727 -13.928 -2.955 1.00 0.00 H new ATOM 0 HA SER A 31 -8.832 -12.400 -3.772 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.263 -15.281 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.146 -14.098 -5.538 1.00 0.00 H new ATOM 0 HG SER A 31 -6.399 -13.877 -4.719 1.00 0.00 H new ATOM 460 N THR A 32 -11.104 -13.705 -3.601 1.00 0.00 N ATOM 461 CA THR A 32 -12.402 -14.165 -3.138 1.00 0.00 C ATOM 462 C THR A 32 -12.525 -15.658 -3.360 1.00 0.00 C ATOM 463 O THR A 32 -13.024 -16.395 -2.510 1.00 0.00 O ATOM 464 CB THR A 32 -13.522 -13.428 -3.875 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.991 -12.450 -4.751 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.489 -12.730 -2.946 1.00 0.00 C ATOM 0 H THR A 32 -11.132 -13.157 -4.461 1.00 0.00 H new ATOM 0 HA THR A 32 -12.492 -13.954 -2.072 1.00 0.00 H new ATOM 0 HB THR A 32 -14.060 -14.200 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.153 -11.557 -4.381 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.258 -12.227 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.956 -13.464 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.951 -11.995 -2.346 1.00 0.00 H new ATOM 474 N ASP A 33 -12.052 -16.088 -4.515 1.00 0.00 N ATOM 475 CA ASP A 33 -12.084 -17.488 -4.883 1.00 0.00 C ATOM 476 C ASP A 33 -10.723 -18.149 -4.663 1.00 0.00 C ATOM 477 O ASP A 33 -10.598 -19.371 -4.749 1.00 0.00 O ATOM 478 CB ASP A 33 -12.515 -17.646 -6.342 1.00 0.00 C ATOM 479 CG ASP A 33 -13.946 -17.203 -6.575 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.696 -17.074 -5.584 1.00 0.00 O ATOM 481 OD2 ASP A 33 -14.317 -16.986 -7.747 1.00 0.00 O ATOM 0 H ASP A 33 -11.637 -15.479 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.811 -17.986 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.849 -17.064 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.408 -18.690 -6.638 1.00 0.00 H new ATOM 486 N GLY A 34 -9.706 -17.337 -4.382 1.00 0.00 N ATOM 487 CA GLY A 34 -8.372 -17.867 -4.161 1.00 0.00 C ATOM 488 C GLY A 34 -7.551 -17.912 -5.433 1.00 0.00 C ATOM 489 O GLY A 34 -6.650 -18.738 -5.571 1.00 0.00 O ATOM 0 H GLY A 34 -9.783 -16.323 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.858 -17.253 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.447 -18.872 -3.745 1.00 0.00 H new ATOM 493 N ASP A 35 -7.871 -17.024 -6.371 1.00 0.00 N ATOM 494 CA ASP A 35 -7.167 -16.965 -7.644 1.00 0.00 C ATOM 495 C ASP A 35 -5.756 -16.410 -7.482 1.00 0.00 C ATOM 496 O ASP A 35 -4.878 -16.675 -8.302 1.00 0.00 O ATOM 497 CB ASP A 35 -7.955 -16.110 -8.638 1.00 0.00 C ATOM 498 CG ASP A 35 -8.082 -14.666 -8.192 1.00 0.00 C ATOM 499 OD1 ASP A 35 -7.043 -14.047 -7.878 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.220 -14.154 -8.156 1.00 0.00 O ATOM 0 H ASP A 35 -8.616 -16.335 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.082 -17.983 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.464 -16.144 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.950 -16.535 -8.768 1.00 0.00 H new ATOM 505 N LYS A 36 -5.542 -15.637 -6.424 1.00 0.00 N ATOM 506 CA LYS A 36 -4.232 -15.045 -6.170 1.00 0.00 C ATOM 507 C LYS A 36 -4.094 -14.595 -4.719 1.00 0.00 C ATOM 508 O LYS A 36 -5.082 -14.285 -4.053 1.00 0.00 O ATOM 509 CB LYS A 36 -4.000 -13.856 -7.105 1.00 0.00 C ATOM 510 CG LYS A 36 -3.301 -14.231 -8.402 1.00 0.00 C ATOM 511 CD LYS A 36 -4.256 -14.186 -9.584 1.00 0.00 C ATOM 512 CE LYS A 36 -4.117 -12.889 -10.363 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.234 -12.699 -11.330 1.00 0.00 N ATOM 0 H LYS A 36 -6.254 -15.406 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.480 -15.810 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.960 -13.395 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.405 -13.106 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.470 -13.549 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.878 -15.232 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.060 -15.031 -10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.281 -14.290 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.091 -12.049 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.168 -12.888 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.281 -11.700 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.071 -13.291 -12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.131 -12.974 -10.882 1.00 0.00 H new ATOM 527 N VAL A 37 -2.853 -14.555 -4.239 1.00 0.00 N ATOM 528 CA VAL A 37 -2.567 -14.136 -2.872 1.00 0.00 C ATOM 529 C VAL A 37 -1.325 -13.250 -2.828 1.00 0.00 C ATOM 530 O VAL A 37 -0.298 -13.577 -3.422 1.00 0.00 O ATOM 531 CB VAL A 37 -2.356 -15.348 -1.943 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.089 -14.891 -0.516 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.560 -16.277 -1.997 1.00 0.00 C ATOM 0 H VAL A 37 -2.027 -14.809 -4.781 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.431 -13.571 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.483 -15.900 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.943 -15.762 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.193 -14.270 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.939 -14.313 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.394 -17.127 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.451 -15.737 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.699 -16.634 -3.018 1.00 0.00 H new ATOM 543 N HIS A 38 -1.425 -12.130 -2.121 1.00 0.00 N ATOM 544 CA HIS A 38 -0.304 -11.200 -2.002 1.00 0.00 C ATOM 545 C HIS A 38 -0.105 -10.760 -0.559 1.00 0.00 C ATOM 546 O HIS A 38 -1.065 -10.622 0.196 1.00 0.00 O ATOM 547 CB HIS A 38 -0.516 -9.976 -2.887 1.00 0.00 C ATOM 548 CG HIS A 38 0.741 -9.210 -3.161 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.773 -9.706 -3.932 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.131 -7.976 -2.763 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.743 -8.810 -3.994 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.377 -7.751 -3.293 1.00 0.00 N ATOM 0 H HIS A 38 -2.267 -11.843 -1.622 1.00 0.00 H new ATOM 0 HA HIS A 38 0.592 -11.726 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.952 -10.294 -3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.239 -9.314 -2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.566 -7.295 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.676 -8.924 -4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.931 -6.904 -3.166 1.00 0.00 H new ATOM 561 N THR A 39 1.146 -10.542 -0.182 1.00 0.00 N ATOM 562 CA THR A 39 1.472 -10.118 1.176 1.00 0.00 C ATOM 563 C THR A 39 2.376 -8.885 1.171 1.00 0.00 C ATOM 564 O THR A 39 3.291 -8.779 0.355 1.00 0.00 O ATOM 565 CB THR A 39 2.152 -11.257 1.937 1.00 0.00 C ATOM 566 OG1 THR A 39 1.348 -12.422 1.919 1.00 0.00 O ATOM 567 CG2 THR A 39 2.441 -10.920 3.384 1.00 0.00 C ATOM 0 H THR A 39 1.954 -10.651 -0.795 1.00 0.00 H new ATOM 0 HA THR A 39 0.540 -9.856 1.676 1.00 0.00 H new ATOM 0 HB THR A 39 3.099 -11.423 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.801 -13.140 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.923 -11.770 3.866 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.101 -10.054 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.507 -10.693 3.898 1.00 0.00 H new ATOM 575 N VAL A 40 2.117 -7.959 2.093 1.00 0.00 N ATOM 576 CA VAL A 40 2.914 -6.739 2.197 1.00 0.00 C ATOM 577 C VAL A 40 3.290 -6.426 3.636 1.00 0.00 C ATOM 578 O VAL A 40 2.485 -6.582 4.552 1.00 0.00 O ATOM 579 CB VAL A 40 2.195 -5.500 1.634 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.072 -4.263 1.827 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.836 -5.694 0.170 1.00 0.00 C ATOM 0 H VAL A 40 1.363 -8.030 2.777 1.00 0.00 H new ATOM 0 HA VAL A 40 3.805 -6.944 1.603 1.00 0.00 H new ATOM 0 HB VAL A 40 1.263 -5.357 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.560 -3.388 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.265 -4.116 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.017 -4.402 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.329 -4.803 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.745 -5.862 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.176 -6.556 0.068 1.00 0.00 H new ATOM 591 N VAL A 41 4.508 -5.943 3.811 1.00 0.00 N ATOM 592 CA VAL A 41 4.994 -5.556 5.128 1.00 0.00 C ATOM 593 C VAL A 41 4.633 -4.104 5.402 1.00 0.00 C ATOM 594 O VAL A 41 5.091 -3.203 4.702 1.00 0.00 O ATOM 595 CB VAL A 41 6.530 -5.697 5.257 1.00 0.00 C ATOM 596 CG1 VAL A 41 6.887 -6.625 6.405 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.151 -6.166 3.948 1.00 0.00 C ATOM 0 H VAL A 41 5.181 -5.809 3.057 1.00 0.00 H new ATOM 0 HA VAL A 41 4.522 -6.226 5.846 1.00 0.00 H new ATOM 0 HB VAL A 41 6.945 -4.714 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.971 -6.711 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.490 -6.221 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.456 -7.610 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.231 -6.256 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.735 -7.135 3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.933 -5.443 3.162 1.00 0.00 H new ATOM 607 N LEU A 42 3.822 -3.876 6.423 1.00 0.00 N ATOM 608 CA LEU A 42 3.428 -2.530 6.773 1.00 0.00 C ATOM 609 C LEU A 42 4.622 -1.747 7.315 1.00 0.00 C ATOM 610 O LEU A 42 4.613 -0.516 7.332 1.00 0.00 O ATOM 611 CB LEU A 42 2.300 -2.567 7.802 1.00 0.00 C ATOM 612 CG LEU A 42 1.253 -3.664 7.581 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.014 -3.914 6.096 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.659 -4.950 8.289 1.00 0.00 C ATOM 0 H LEU A 42 3.428 -4.605 7.018 1.00 0.00 H new ATOM 0 HA LEU A 42 3.068 -2.025 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.737 -2.698 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.796 -1.600 7.801 1.00 0.00 H new ATOM 0 HG LEU A 42 0.314 -3.318 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.266 -4.698 5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.659 -2.997 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.946 -4.226 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.901 -5.714 8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.616 -5.294 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.751 -4.763 9.359 1.00 0.00 H new ATOM 626 N SER A 43 5.651 -2.470 7.760 1.00 0.00 N ATOM 627 CA SER A 43 6.849 -1.840 8.301 1.00 0.00 C ATOM 628 C SER A 43 7.582 -1.043 7.227 1.00 0.00 C ATOM 629 O SER A 43 8.263 -0.063 7.524 1.00 0.00 O ATOM 630 CB SER A 43 7.783 -2.894 8.899 1.00 0.00 C ATOM 631 OG SER A 43 8.327 -3.725 7.888 1.00 0.00 O ATOM 0 H SER A 43 5.676 -3.490 7.755 1.00 0.00 H new ATOM 0 HA SER A 43 6.540 -1.152 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.589 -2.403 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.236 -3.502 9.619 1.00 0.00 H new ATOM 0 HG SER A 43 9.137 -4.162 8.225 1.00 0.00 H new ATOM 637 N THR A 44 7.433 -1.472 5.981 1.00 0.00 N ATOM 638 CA THR A 44 8.078 -0.793 4.858 1.00 0.00 C ATOM 639 C THR A 44 7.207 0.346 4.345 1.00 0.00 C ATOM 640 O THR A 44 7.704 1.316 3.773 1.00 0.00 O ATOM 641 CB THR A 44 8.383 -1.775 3.715 1.00 0.00 C ATOM 642 OG1 THR A 44 7.432 -1.648 2.671 1.00 0.00 O ATOM 643 CG2 THR A 44 8.393 -3.227 4.139 1.00 0.00 C ATOM 0 H THR A 44 6.874 -2.284 5.720 1.00 0.00 H new ATOM 0 HA THR A 44 9.021 -0.382 5.219 1.00 0.00 H new ATOM 0 HB THR A 44 9.385 -1.506 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.647 -2.281 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.615 -3.856 3.277 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.155 -3.377 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.416 -3.495 4.542 1.00 0.00 H new ATOM 651 N ILE A 45 5.903 0.218 4.551 1.00 0.00 N ATOM 652 CA ILE A 45 4.955 1.232 4.109 1.00 0.00 C ATOM 653 C ILE A 45 5.290 2.593 4.709 1.00 0.00 C ATOM 654 O ILE A 45 4.832 2.932 5.801 1.00 0.00 O ATOM 655 CB ILE A 45 3.508 0.847 4.481 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.167 -0.531 3.912 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.526 1.894 3.971 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.217 -0.591 2.400 1.00 0.00 C ATOM 0 H ILE A 45 5.477 -0.580 5.022 1.00 0.00 H new ATOM 0 HA ILE A 45 5.033 1.293 3.024 1.00 0.00 H new ATOM 0 HB ILE A 45 3.427 0.806 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.862 -1.265 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.169 -0.816 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.511 1.604 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.760 2.860 4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.603 1.968 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.964 -1.598 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.502 0.119 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.221 -0.337 2.059 1.00 0.00 H new ATOM 670 N ASP A 46 6.092 3.365 3.988 1.00 0.00 N ATOM 671 CA ASP A 46 6.495 4.690 4.441 1.00 0.00 C ATOM 672 C ASP A 46 5.284 5.599 4.620 1.00 0.00 C ATOM 673 O ASP A 46 5.288 6.492 5.468 1.00 0.00 O ATOM 674 CB ASP A 46 7.475 5.317 3.448 1.00 0.00 C ATOM 675 CG ASP A 46 8.107 6.587 3.982 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.109 6.485 4.721 1.00 0.00 O ATOM 677 OD2 ASP A 46 7.602 7.683 3.662 1.00 0.00 O ATOM 0 H ASP A 46 6.478 3.095 3.083 1.00 0.00 H new ATOM 0 HA ASP A 46 6.988 4.579 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.258 4.597 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.953 5.538 2.517 1.00 0.00 H new ATOM 682 N LYS A 47 4.248 5.369 3.818 1.00 0.00 N ATOM 683 CA LYS A 47 3.035 6.175 3.895 1.00 0.00 C ATOM 684 C LYS A 47 1.816 5.382 3.438 1.00 0.00 C ATOM 685 O LYS A 47 1.937 4.408 2.694 1.00 0.00 O ATOM 686 CB LYS A 47 3.171 7.440 3.040 1.00 0.00 C ATOM 687 CG LYS A 47 4.550 8.077 3.105 1.00 0.00 C ATOM 688 CD LYS A 47 4.600 9.375 2.314 1.00 0.00 C ATOM 689 CE LYS A 47 6.028 9.866 2.139 1.00 0.00 C ATOM 690 NZ LYS A 47 6.090 11.344 1.971 1.00 0.00 N ATOM 0 H LYS A 47 4.224 4.634 3.111 1.00 0.00 H new ATOM 0 HA LYS A 47 2.897 6.459 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.943 7.193 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.428 8.169 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.813 8.272 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.292 7.382 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.144 9.224 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.012 10.137 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.621 9.574 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.474 9.383 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.080 11.639 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.545 11.621 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.688 11.806 2.811 1.00 0.00 H new ATOM 704 N LEU A 48 0.642 5.811 3.883 1.00 0.00 N ATOM 705 CA LEU A 48 -0.600 5.157 3.517 1.00 0.00 C ATOM 706 C LEU A 48 -1.618 6.196 3.051 1.00 0.00 C ATOM 707 O LEU A 48 -1.891 7.170 3.754 1.00 0.00 O ATOM 708 CB LEU A 48 -1.125 4.326 4.698 1.00 0.00 C ATOM 709 CG LEU A 48 -2.531 4.669 5.175 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.572 3.972 4.311 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.706 4.293 6.639 1.00 0.00 C ATOM 0 H LEU A 48 0.528 6.614 4.501 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.424 4.473 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.104 3.273 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.438 4.445 5.536 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.674 5.745 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.570 4.228 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.461 4.295 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.431 2.893 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.716 4.546 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.543 3.222 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.984 4.842 7.244 1.00 0.00 H new ATOM 723 N GLN A 49 -2.163 5.994 1.857 1.00 0.00 N ATOM 724 CA GLN A 49 -3.137 6.923 1.299 1.00 0.00 C ATOM 725 C GLN A 49 -4.448 6.214 0.980 1.00 0.00 C ATOM 726 O GLN A 49 -4.451 5.077 0.507 1.00 0.00 O ATOM 727 CB GLN A 49 -2.579 7.579 0.035 1.00 0.00 C ATOM 728 CG GLN A 49 -1.336 8.416 0.282 1.00 0.00 C ATOM 729 CD GLN A 49 -0.767 9.008 -0.992 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.088 8.562 -2.094 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.084 10.018 -0.848 1.00 0.00 N ATOM 0 H GLN A 49 -1.947 5.197 1.258 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.335 7.693 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.345 6.803 -0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.350 8.210 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.577 9.221 0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.577 7.799 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.322 10.356 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.500 10.456 -1.670 1.00 0.00 H new ATOM 740 N ALA A 50 -5.558 6.894 1.239 1.00 0.00 N ATOM 741 CA ALA A 50 -6.877 6.333 0.979 1.00 0.00 C ATOM 742 C ALA A 50 -7.794 7.366 0.339 1.00 0.00 C ATOM 743 O ALA A 50 -7.684 8.562 0.612 1.00 0.00 O ATOM 744 CB ALA A 50 -7.489 5.804 2.266 1.00 0.00 C ATOM 0 H ALA A 50 -5.570 7.836 1.629 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.762 5.505 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.474 5.388 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.848 5.027 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.584 6.618 2.985 1.00 0.00 H new ATOM 750 N THR A 51 -8.700 6.900 -0.512 1.00 0.00 N ATOM 751 CA THR A 51 -9.637 7.787 -1.190 1.00 0.00 C ATOM 752 C THR A 51 -10.744 8.238 -0.235 1.00 0.00 C ATOM 753 O THR A 51 -11.438 7.410 0.355 1.00 0.00 O ATOM 754 CB THR A 51 -10.247 7.084 -2.403 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.707 5.792 -2.055 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.279 6.932 -3.556 1.00 0.00 C ATOM 0 H THR A 51 -8.806 5.914 -0.749 1.00 0.00 H new ATOM 0 HA THR A 51 -9.091 8.668 -1.527 1.00 0.00 H new ATOM 0 HB THR A 51 -11.070 7.723 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.940 5.212 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.776 6.426 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.944 7.917 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.419 6.344 -3.234 1.00 0.00 H new ATOM 764 N PRO A 52 -10.925 9.563 -0.070 1.00 0.00 N ATOM 765 CA PRO A 52 -11.955 10.111 0.822 1.00 0.00 C ATOM 766 C PRO A 52 -13.367 9.877 0.293 1.00 0.00 C ATOM 767 O PRO A 52 -13.562 9.620 -0.895 1.00 0.00 O ATOM 768 CB PRO A 52 -11.639 11.608 0.853 1.00 0.00 C ATOM 769 CG PRO A 52 -10.929 11.872 -0.429 1.00 0.00 C ATOM 770 CD PRO A 52 -10.146 10.625 -0.731 1.00 0.00 C ATOM 0 HA PRO A 52 -11.937 9.636 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.549 12.203 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.016 11.863 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.636 12.092 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.269 12.735 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.063 10.453 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.131 10.683 -0.338 1.00 0.00 H new ATOM 778 N ALA A 53 -14.348 9.968 1.185 1.00 0.00 N ATOM 779 CA ALA A 53 -15.743 9.768 0.811 1.00 0.00 C ATOM 780 C ALA A 53 -16.169 10.758 -0.268 1.00 0.00 C ATOM 781 O ALA A 53 -16.966 10.429 -1.147 1.00 0.00 O ATOM 782 CB ALA A 53 -16.641 9.897 2.032 1.00 0.00 C ATOM 0 H ALA A 53 -14.202 10.179 2.172 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.844 8.762 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -17.679 9.745 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.360 9.147 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.528 10.892 2.463 1.00 0.00 H new ATOM 788 N SER A 54 -15.633 11.972 -0.195 1.00 0.00 N ATOM 789 CA SER A 54 -15.957 13.010 -1.168 1.00 0.00 C ATOM 790 C SER A 54 -15.609 12.561 -2.582 1.00 0.00 C ATOM 791 O SER A 54 -16.198 13.028 -3.557 1.00 0.00 O ATOM 792 CB SER A 54 -15.215 14.305 -0.832 1.00 0.00 C ATOM 793 OG SER A 54 -15.630 15.365 -1.675 1.00 0.00 O ATOM 0 H SER A 54 -14.973 12.261 0.527 1.00 0.00 H new ATOM 0 HA SER A 54 -17.030 13.193 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.397 14.572 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.141 14.151 -0.939 1.00 0.00 H new ATOM 0 HG SER A 54 -15.142 16.181 -1.439 1.00 0.00 H new ATOM 799 N SER A 55 -14.650 11.650 -2.683 1.00 0.00 N ATOM 800 CA SER A 55 -14.218 11.130 -3.966 1.00 0.00 C ATOM 801 C SER A 55 -14.877 9.790 -4.256 1.00 0.00 C ATOM 802 O SER A 55 -14.629 8.802 -3.565 1.00 0.00 O ATOM 803 CB SER A 55 -12.696 10.984 -3.996 1.00 0.00 C ATOM 804 OG SER A 55 -12.249 10.564 -5.273 1.00 0.00 O ATOM 0 H SER A 55 -14.155 11.256 -1.883 1.00 0.00 H new ATOM 0 HA SER A 55 -14.520 11.837 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.231 11.936 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.382 10.262 -3.242 1.00 0.00 H new ATOM 0 HG SER A 55 -11.273 10.480 -5.266 1.00 0.00 H new ATOM 810 N GLU A 56 -15.708 9.761 -5.291 1.00 0.00 N ATOM 811 CA GLU A 56 -16.394 8.537 -5.682 1.00 0.00 C ATOM 812 C GLU A 56 -15.389 7.433 -5.998 1.00 0.00 C ATOM 813 O GLU A 56 -15.735 6.252 -6.019 1.00 0.00 O ATOM 814 CB GLU A 56 -17.284 8.793 -6.899 1.00 0.00 C ATOM 815 CG GLU A 56 -18.413 9.777 -6.632 1.00 0.00 C ATOM 816 CD GLU A 56 -19.363 9.295 -5.553 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.357 8.082 -5.254 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.112 10.132 -5.007 1.00 0.00 O ATOM 0 H GLU A 56 -15.923 10.570 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.016 8.214 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.669 9.172 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.709 7.847 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.991 10.737 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.970 9.944 -7.554 1.00 0.00 H new ATOM 825 N LYS A 57 -14.144 7.828 -6.243 1.00 0.00 N ATOM 826 CA LYS A 57 -13.088 6.875 -6.559 1.00 0.00 C ATOM 827 C LYS A 57 -12.695 6.067 -5.327 1.00 0.00 C ATOM 828 O LYS A 57 -11.902 6.520 -4.501 1.00 0.00 O ATOM 829 CB LYS A 57 -11.864 7.603 -7.119 1.00 0.00 C ATOM 830 CG LYS A 57 -12.187 8.517 -8.289 1.00 0.00 C ATOM 831 CD LYS A 57 -11.185 8.350 -9.422 1.00 0.00 C ATOM 832 CE LYS A 57 -10.031 9.331 -9.295 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.385 10.675 -9.829 1.00 0.00 N ATOM 0 H LYS A 57 -13.842 8.802 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.469 6.188 -7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.405 8.191 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.126 6.866 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.191 8.300 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.188 9.554 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.799 7.331 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.687 8.499 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.744 9.420 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.164 8.944 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.572 11.315 -9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.635 10.594 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.196 11.056 -9.301 1.00 0.00 H new ATOM 847 N MET A 58 -13.255 4.868 -5.209 1.00 0.00 N ATOM 848 CA MET A 58 -12.966 3.989 -4.081 1.00 0.00 C ATOM 849 C MET A 58 -11.666 3.227 -4.309 1.00 0.00 C ATOM 850 O MET A 58 -11.609 2.323 -5.144 1.00 0.00 O ATOM 851 CB MET A 58 -14.117 3.003 -3.877 1.00 0.00 C ATOM 852 CG MET A 58 -15.493 3.646 -3.931 1.00 0.00 C ATOM 853 SD MET A 58 -16.082 4.163 -2.307 1.00 0.00 S ATOM 854 CE MET A 58 -15.956 2.624 -1.400 1.00 0.00 C ATOM 0 H MET A 58 -13.915 4.481 -5.884 1.00 0.00 H new ATOM 0 HA MET A 58 -12.855 4.603 -3.187 1.00 0.00 H new ATOM 0 HB2 MET A 58 -14.058 2.228 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.994 2.510 -2.913 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.460 4.511 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 58 -16.203 2.941 -4.363 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.889 2.438 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.765 1.807 -2.095 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.137 2.690 -0.684 1.00 0.00 H new ATOM 864 N MET A 59 -10.620 3.589 -3.569 1.00 0.00 N ATOM 865 CA MET A 59 -9.329 2.923 -3.712 1.00 0.00 C ATOM 866 C MET A 59 -8.307 3.447 -2.704 1.00 0.00 C ATOM 867 O MET A 59 -8.298 4.630 -2.364 1.00 0.00 O ATOM 868 CB MET A 59 -8.797 3.112 -5.135 1.00 0.00 C ATOM 869 CG MET A 59 -7.458 2.433 -5.382 1.00 0.00 C ATOM 870 SD MET A 59 -6.125 3.607 -5.695 1.00 0.00 S ATOM 871 CE MET A 59 -6.873 4.642 -6.950 1.00 0.00 C ATOM 0 H MET A 59 -10.641 4.333 -2.871 1.00 0.00 H new ATOM 0 HA MET A 59 -9.481 1.862 -3.514 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.529 2.721 -5.842 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.697 4.178 -5.337 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.201 1.821 -4.517 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.549 1.759 -6.234 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.096 5.048 -7.597 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.567 4.048 -7.545 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.412 5.460 -6.473 1.00 0.00 H new ATOM 881 N LEU A 60 -7.439 2.547 -2.246 1.00 0.00 N ATOM 882 CA LEU A 60 -6.392 2.891 -1.289 1.00 0.00 C ATOM 883 C LEU A 60 -5.018 2.700 -1.929 1.00 0.00 C ATOM 884 O LEU A 60 -4.889 1.987 -2.926 1.00 0.00 O ATOM 885 CB LEU A 60 -6.515 2.022 -0.036 1.00 0.00 C ATOM 886 CG LEU A 60 -6.477 2.786 1.291 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.868 2.863 1.901 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.505 2.125 2.260 1.00 0.00 C ATOM 0 H LEU A 60 -7.442 1.566 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.506 3.936 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.450 1.465 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.707 1.290 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.130 3.801 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.822 3.409 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.538 3.380 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.242 1.855 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.491 2.681 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.822 1.100 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.505 2.120 1.826 1.00 0.00 H new ATOM 900 N ARG A 61 -3.995 3.337 -1.368 1.00 0.00 N ATOM 901 CA ARG A 61 -2.645 3.221 -1.915 1.00 0.00 C ATOM 902 C ARG A 61 -1.577 3.258 -0.822 1.00 0.00 C ATOM 903 O ARG A 61 -1.544 4.175 0.000 1.00 0.00 O ATOM 904 CB ARG A 61 -2.389 4.342 -2.923 1.00 0.00 C ATOM 905 CG ARG A 61 -1.148 4.129 -3.774 1.00 0.00 C ATOM 906 CD ARG A 61 -1.486 3.444 -5.088 1.00 0.00 C ATOM 907 NE ARG A 61 -0.289 3.090 -5.847 1.00 0.00 N ATOM 908 CZ ARG A 61 0.399 3.953 -6.593 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.012 5.219 -6.682 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.476 3.547 -7.251 1.00 0.00 N ATOM 0 H ARG A 61 -4.072 3.933 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.578 2.253 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.256 4.434 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.293 5.286 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.674 5.090 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.426 3.526 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.067 2.544 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.114 4.102 -5.688 1.00 0.00 H new ATOM 0 HE ARG A 61 0.039 2.125 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.816 5.536 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.543 5.875 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.777 2.575 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.003 4.207 -7.822 1.00 0.00 H new ATOM 924 N LEU A 62 -0.695 2.259 -0.834 1.00 0.00 N ATOM 925 CA LEU A 62 0.392 2.174 0.138 1.00 0.00 C ATOM 926 C LEU A 62 1.720 2.545 -0.518 1.00 0.00 C ATOM 927 O LEU A 62 1.949 2.234 -1.686 1.00 0.00 O ATOM 928 CB LEU A 62 0.484 0.756 0.712 1.00 0.00 C ATOM 929 CG LEU A 62 -0.652 0.325 1.652 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.933 1.101 1.371 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.898 -1.170 1.518 1.00 0.00 C ATOM 0 H LEU A 62 -0.713 1.495 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 62 0.184 2.874 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.525 0.053 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.427 0.666 1.252 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.348 0.548 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.716 0.771 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.752 2.166 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.249 0.922 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.705 -1.467 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.176 -1.402 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.010 -1.713 1.780 1.00 0.00 H new ATOM 943 N ILE A 63 2.595 3.211 0.233 1.00 0.00 N ATOM 944 CA ILE A 63 3.895 3.613 -0.299 1.00 0.00 C ATOM 945 C ILE A 63 5.010 2.713 0.218 1.00 0.00 C ATOM 946 O ILE A 63 5.315 2.711 1.410 1.00 0.00 O ATOM 947 CB ILE A 63 4.249 5.070 0.065 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.997 5.945 0.142 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.229 5.641 -0.944 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.110 5.865 -1.074 1.00 0.00 C ATOM 0 H ILE A 63 2.430 3.482 1.203 1.00 0.00 H new ATOM 0 HA ILE A 63 3.812 3.523 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 63 4.715 5.065 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.419 5.655 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.301 6.982 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.470 6.669 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.140 5.043 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.781 5.621 -1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.246 6.515 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.669 6.184 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.773 4.838 -1.212 1.00 0.00 H new ATOM 962 N GLY A 64 5.626 1.962 -0.686 1.00 0.00 N ATOM 963 CA GLY A 64 6.712 1.080 -0.300 1.00 0.00 C ATOM 964 C GLY A 64 8.020 1.827 -0.128 1.00 0.00 C ATOM 965 O GLY A 64 8.429 2.587 -1.006 1.00 0.00 O ATOM 0 H GLY A 64 5.394 1.947 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.456 0.578 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.835 0.304 -1.056 1.00 0.00 H new ATOM 969 N LYS A 65 8.676 1.619 1.010 1.00 0.00 N ATOM 970 CA LYS A 65 9.944 2.285 1.298 1.00 0.00 C ATOM 971 C LYS A 65 10.940 2.093 0.157 1.00 0.00 C ATOM 972 O LYS A 65 10.933 1.066 -0.524 1.00 0.00 O ATOM 973 CB LYS A 65 10.537 1.756 2.607 1.00 0.00 C ATOM 974 CG LYS A 65 10.318 2.684 3.790 1.00 0.00 C ATOM 975 CD LYS A 65 10.803 2.058 5.087 1.00 0.00 C ATOM 976 CE LYS A 65 10.356 2.865 6.296 1.00 0.00 C ATOM 977 NZ LYS A 65 11.353 2.807 7.400 1.00 0.00 N ATOM 0 H LYS A 65 8.351 0.995 1.748 1.00 0.00 H new ATOM 0 HA LYS A 65 9.746 3.352 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.095 0.785 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.607 1.596 2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.844 3.623 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.258 2.923 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.421 1.040 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.891 1.990 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.199 3.903 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.398 2.486 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.012 3.369 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.484 1.819 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.261 3.192 7.069 1.00 0.00 H new ATOM 991 N VAL A 66 11.795 3.092 -0.045 1.00 0.00 N ATOM 992 CA VAL A 66 12.798 3.041 -1.103 1.00 0.00 C ATOM 993 C VAL A 66 14.200 2.862 -0.517 1.00 0.00 C ATOM 994 O VAL A 66 14.358 2.467 0.638 1.00 0.00 O ATOM 995 CB VAL A 66 12.749 4.321 -1.975 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.532 5.461 -1.335 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.253 4.042 -3.387 1.00 0.00 C ATOM 0 H VAL A 66 11.813 3.947 0.511 1.00 0.00 H new ATOM 0 HA VAL A 66 12.570 2.181 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 66 11.706 4.632 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.477 6.343 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.106 5.692 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.574 5.164 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.208 4.957 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.284 3.690 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.629 3.279 -3.852 1.00 0.00 H new ATOM 1007 N ASP A 67 15.208 3.162 -1.325 1.00 0.00 N ATOM 1008 CA ASP A 67 16.597 3.049 -0.906 1.00 0.00 C ATOM 1009 C ASP A 67 17.473 3.960 -1.757 1.00 0.00 C ATOM 1010 O ASP A 67 18.235 3.497 -2.605 1.00 0.00 O ATOM 1011 CB ASP A 67 17.076 1.599 -1.023 1.00 0.00 C ATOM 1012 CG ASP A 67 18.273 1.312 -0.139 1.00 0.00 C ATOM 1013 OD1 ASP A 67 18.068 0.985 1.049 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.415 1.415 -0.633 1.00 0.00 O ATOM 0 H ASP A 67 15.086 3.489 -2.284 1.00 0.00 H new ATOM 0 HA ASP A 67 16.673 3.356 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.261 0.927 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.335 1.388 -2.060 1.00 0.00 H new ATOM 1019 N GLU A 68 17.345 5.264 -1.532 1.00 0.00 N ATOM 1020 CA GLU A 68 18.110 6.249 -2.285 1.00 0.00 C ATOM 1021 C GLU A 68 19.608 5.984 -2.189 1.00 0.00 C ATOM 1022 O GLU A 68 20.383 6.428 -3.037 1.00 0.00 O ATOM 1023 CB GLU A 68 17.795 7.663 -1.789 1.00 0.00 C ATOM 1024 CG GLU A 68 16.325 8.033 -1.898 1.00 0.00 C ATOM 1025 CD GLU A 68 15.556 7.763 -0.619 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.167 7.264 0.349 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.340 8.050 -0.587 1.00 0.00 O ATOM 0 H GLU A 68 16.718 5.662 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 68 17.818 6.164 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.107 7.752 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.385 8.379 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.239 9.089 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.873 7.470 -2.715 1.00 0.00 H new ATOM 1034 N SER A 69 20.014 5.256 -1.155 1.00 0.00 N ATOM 1035 CA SER A 69 21.421 4.929 -0.957 1.00 0.00 C ATOM 1036 C SER A 69 21.993 4.207 -2.173 1.00 0.00 C ATOM 1037 O SER A 69 23.209 4.166 -2.367 1.00 0.00 O ATOM 1038 CB SER A 69 21.595 4.066 0.293 1.00 0.00 C ATOM 1039 OG SER A 69 22.966 3.852 0.578 1.00 0.00 O ATOM 0 H SER A 69 19.389 4.881 -0.441 1.00 0.00 H new ATOM 0 HA SER A 69 21.968 5.863 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.115 4.551 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.096 3.107 0.149 1.00 0.00 H new ATOM 0 HG SER A 69 23.050 3.299 1.383 1.00 0.00 H new ATOM 1045 N LYS A 70 21.113 3.639 -2.993 1.00 0.00 N ATOM 1046 CA LYS A 70 21.536 2.922 -4.191 1.00 0.00 C ATOM 1047 C LYS A 70 22.028 3.892 -5.260 1.00 0.00 C ATOM 1048 O LYS A 70 23.088 3.697 -5.852 1.00 0.00 O ATOM 1049 CB LYS A 70 20.386 2.077 -4.741 1.00 0.00 C ATOM 1050 CG LYS A 70 19.801 1.110 -3.725 1.00 0.00 C ATOM 1051 CD LYS A 70 20.822 0.071 -3.291 1.00 0.00 C ATOM 1052 CE LYS A 70 20.211 -0.945 -2.338 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.777 -2.307 -2.539 1.00 0.00 N ATOM 0 H LYS A 70 20.103 3.662 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 70 22.360 2.263 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.597 2.740 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.741 1.514 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.451 1.664 -2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.933 0.611 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.216 -0.442 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.663 0.566 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.385 -0.628 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.131 -0.976 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.334 -2.969 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.589 -2.621 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.804 -2.284 -2.375 1.00 0.00 H new ATOM 1067 N LYS A 71 21.246 4.941 -5.502 1.00 0.00 N ATOM 1068 CA LYS A 71 21.600 5.944 -6.500 1.00 0.00 C ATOM 1069 C LYS A 71 21.661 5.328 -7.893 1.00 0.00 C ATOM 1070 O LYS A 71 22.685 4.776 -8.294 1.00 0.00 O ATOM 1071 CB LYS A 71 22.942 6.593 -6.152 1.00 0.00 C ATOM 1072 CG LYS A 71 22.806 7.853 -5.315 1.00 0.00 C ATOM 1073 CD LYS A 71 22.465 9.059 -6.177 1.00 0.00 C ATOM 1074 CE LYS A 71 22.587 10.356 -5.394 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.074 11.476 -6.246 1.00 0.00 N ATOM 0 H LYS A 71 20.364 5.118 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 71 20.826 6.711 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.556 5.872 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.470 6.834 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.030 7.710 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.737 8.038 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.130 9.090 -7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.450 8.958 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.617 10.617 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.271 10.212 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.463 12.228 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.816 11.128 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 22.284 11.855 -6.806 1.00 0.00 H new ATOM 1089 N ARG A 72 20.556 5.427 -8.623 1.00 0.00 N ATOM 1090 CA ARG A 72 20.482 4.879 -9.973 1.00 0.00 C ATOM 1091 C ARG A 72 20.686 5.972 -11.017 1.00 0.00 C ATOM 1092 O ARG A 72 20.247 7.107 -10.836 1.00 0.00 O ATOM 1093 CB ARG A 72 19.132 4.194 -10.192 1.00 0.00 C ATOM 1094 CG ARG A 72 18.979 2.893 -9.420 1.00 0.00 C ATOM 1095 CD ARG A 72 18.362 1.804 -10.281 1.00 0.00 C ATOM 1096 NE ARG A 72 18.126 0.576 -9.525 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.070 -0.324 -9.257 1.00 0.00 C ATOM 1098 NH1 ARG A 72 20.314 -0.135 -9.678 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.768 -1.413 -8.565 1.00 0.00 N ATOM 0 H ARG A 72 19.700 5.881 -8.304 1.00 0.00 H new ATOM 0 HA ARG A 72 21.279 4.144 -10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.335 4.877 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.004 3.993 -11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.954 2.565 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.356 3.061 -8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.419 2.161 -10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.021 1.591 -11.123 1.00 0.00 H new ATOM 0 HE ARG A 72 17.182 0.398 -9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.551 0.703 -10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.034 -0.827 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.813 -1.561 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.490 -2.103 -8.359 1.00 0.00 H new ATOM 1113 N LYS A 73 21.356 5.621 -12.110 1.00 0.00 N ATOM 1114 CA LYS A 73 21.619 6.572 -13.182 1.00 0.00 C ATOM 1115 C LYS A 73 20.467 6.602 -14.181 1.00 0.00 C ATOM 1116 O LYS A 73 19.831 5.581 -14.440 1.00 0.00 O ATOM 1117 CB LYS A 73 22.922 6.220 -13.900 1.00 0.00 C ATOM 1118 CG LYS A 73 24.159 6.382 -13.030 1.00 0.00 C ATOM 1119 CD LYS A 73 24.610 7.832 -12.969 1.00 0.00 C ATOM 1120 CE LYS A 73 26.004 7.956 -12.372 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.049 7.421 -13.289 1.00 0.00 N ATOM 0 H LYS A 73 21.726 4.685 -12.276 1.00 0.00 H new ATOM 0 HA LYS A 73 21.715 7.562 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.867 5.189 -14.251 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.023 6.852 -14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 73 23.947 6.023 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.966 5.765 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.603 8.259 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.904 8.409 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.214 9.003 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.043 7.419 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.984 7.759 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.032 6.381 -13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.861 7.749 -14.258 1.00 0.00 H new ATOM 1135 N ASP A 74 20.203 7.780 -14.735 1.00 0.00 N ATOM 1136 CA ASP A 74 19.126 7.945 -15.705 1.00 0.00 C ATOM 1137 C ASP A 74 19.660 7.895 -17.132 1.00 0.00 C ATOM 1138 O ASP A 74 20.865 7.777 -17.352 1.00 0.00 O ATOM 1139 CB ASP A 74 18.395 9.267 -15.466 1.00 0.00 C ATOM 1140 CG ASP A 74 19.316 10.467 -15.570 1.00 0.00 C ATOM 1141 OD1 ASP A 74 20.431 10.314 -16.110 1.00 0.00 O ATOM 1142 OD2 ASP A 74 18.921 11.560 -15.112 1.00 0.00 O ATOM 0 H ASP A 74 20.720 8.635 -14.529 1.00 0.00 H new ATOM 0 HA ASP A 74 18.425 7.121 -15.573 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.588 9.369 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.935 9.251 -14.478 1.00 0.00 H new ATOM 1147 N ASN A 75 18.752 7.986 -18.099 1.00 0.00 N ATOM 1148 CA ASN A 75 19.125 7.951 -19.509 1.00 0.00 C ATOM 1149 C ASN A 75 20.052 9.109 -19.866 1.00 0.00 C ATOM 1150 O ASN A 75 20.747 9.068 -20.882 1.00 0.00 O ATOM 1151 CB ASN A 75 17.876 7.999 -20.389 1.00 0.00 C ATOM 1152 CG ASN A 75 16.931 6.845 -20.115 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.361 5.715 -19.884 1.00 0.00 O ATOM 1154 ND2 ASN A 75 15.632 7.125 -20.140 1.00 0.00 N ATOM 0 H ASN A 75 17.751 8.085 -17.931 1.00 0.00 H new ATOM 0 HA ASN A 75 19.658 7.017 -19.689 1.00 0.00 H new ATOM 0 HB2 ASN A 75 17.353 8.941 -20.222 1.00 0.00 H new ATOM 0 HB3 ASN A 75 18.173 7.981 -21.438 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.948 6.389 -19.963 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.319 8.076 -20.336 1.00 0.00 H new ATOM 1161 N GLU A 76 20.057 10.143 -19.031 1.00 0.00 N ATOM 1162 CA GLU A 76 20.897 11.312 -19.269 1.00 0.00 C ATOM 1163 C GLU A 76 22.285 11.140 -18.652 1.00 0.00 C ATOM 1164 O GLU A 76 23.055 12.095 -18.567 1.00 0.00 O ATOM 1165 CB GLU A 76 20.228 12.565 -18.703 1.00 0.00 C ATOM 1166 CG GLU A 76 20.640 13.845 -19.411 1.00 0.00 C ATOM 1167 CD GLU A 76 20.076 15.088 -18.748 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.352 14.949 -17.738 1.00 0.00 O ATOM 1169 OE2 GLU A 76 20.359 16.201 -19.238 1.00 0.00 O ATOM 0 H GLU A 76 19.490 10.196 -18.185 1.00 0.00 H new ATOM 0 HA GLU A 76 21.018 11.420 -20.347 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.146 12.453 -18.773 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.472 12.650 -17.644 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.728 13.910 -19.431 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.304 13.807 -20.447 1.00 0.00 H new ATOM 1176 N GLY A 77 22.601 9.920 -18.221 1.00 0.00 N ATOM 1177 CA GLY A 77 23.897 9.660 -17.623 1.00 0.00 C ATOM 1178 C GLY A 77 24.065 10.333 -16.273 1.00 0.00 C ATOM 1179 O GLY A 77 25.186 10.487 -15.787 1.00 0.00 O ATOM 0 H GLY A 77 21.983 9.110 -18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.030 8.584 -17.507 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.680 10.007 -18.297 1.00 0.00 H new ATOM 1183 N ASN A 78 22.953 10.735 -15.666 1.00 0.00 N ATOM 1184 CA ASN A 78 22.990 11.394 -14.364 1.00 0.00 C ATOM 1185 C ASN A 78 22.263 10.563 -13.314 1.00 0.00 C ATOM 1186 O ASN A 78 21.278 9.888 -13.612 1.00 0.00 O ATOM 1187 CB ASN A 78 22.361 12.785 -14.455 1.00 0.00 C ATOM 1188 CG ASN A 78 23.223 13.758 -15.237 1.00 0.00 C ATOM 1189 OD1 ASN A 78 24.228 14.260 -14.733 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.830 14.031 -16.477 1.00 0.00 N ATOM 0 H ASN A 78 22.017 10.617 -16.053 1.00 0.00 H new ATOM 0 HA ASN A 78 24.033 11.494 -14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.382 12.708 -14.929 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.199 13.174 -13.450 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.368 14.680 -17.051 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.990 13.592 -16.854 1.00 0.00 H new ATOM 1197 N GLU A 79 22.757 10.615 -12.082 1.00 0.00 N ATOM 1198 CA GLU A 79 22.155 9.867 -10.985 1.00 0.00 C ATOM 1199 C GLU A 79 20.807 10.463 -10.593 1.00 0.00 C ATOM 1200 O GLU A 79 20.620 11.680 -10.634 1.00 0.00 O ATOM 1201 CB GLU A 79 23.090 9.851 -9.775 1.00 0.00 C ATOM 1202 CG GLU A 79 24.429 9.188 -10.050 1.00 0.00 C ATOM 1203 CD GLU A 79 25.329 9.156 -8.829 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.051 9.903 -7.868 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.310 8.385 -8.833 1.00 0.00 O ATOM 0 H GLU A 79 23.573 11.167 -11.818 1.00 0.00 H new ATOM 0 HA GLU A 79 21.994 8.844 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.262 10.876 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.598 9.331 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.260 8.169 -10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.935 9.721 -10.855 1.00 0.00 H new ATOM 1212 N VAL A 80 19.871 9.600 -10.216 1.00 0.00 N ATOM 1213 CA VAL A 80 18.540 10.042 -9.819 1.00 0.00 C ATOM 1214 C VAL A 80 18.025 9.240 -8.632 1.00 0.00 C ATOM 1215 O VAL A 80 18.472 8.121 -8.388 1.00 0.00 O ATOM 1216 CB VAL A 80 17.526 9.914 -10.979 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.136 10.415 -12.280 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.040 8.473 -11.128 1.00 0.00 C ATOM 0 H VAL A 80 20.009 8.590 -10.177 1.00 0.00 H new ATOM 0 HA VAL A 80 18.633 11.091 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 80 16.662 10.535 -10.743 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.408 10.317 -13.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.417 11.462 -12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.021 9.825 -12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.328 8.412 -11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.890 7.822 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.555 8.155 -10.205 1.00 0.00 H new ATOM 1228 N VAL A 81 17.061 9.808 -7.918 1.00 0.00 N ATOM 1229 CA VAL A 81 16.462 9.130 -6.781 1.00 0.00 C ATOM 1230 C VAL A 81 15.373 8.182 -7.274 1.00 0.00 C ATOM 1231 O VAL A 81 14.335 8.627 -7.764 1.00 0.00 O ATOM 1232 CB VAL A 81 15.851 10.130 -5.781 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.436 9.421 -4.502 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.833 11.254 -5.484 1.00 0.00 C ATOM 0 H VAL A 81 16.680 10.735 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 81 17.247 8.574 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 81 14.959 10.567 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.007 10.144 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 81 14.695 8.656 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.309 8.954 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.385 11.951 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.744 10.837 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.074 11.780 -6.408 1.00 0.00 H new ATOM 1244 N PRO A 82 15.597 6.861 -7.179 1.00 0.00 N ATOM 1245 CA PRO A 82 14.626 5.873 -7.646 1.00 0.00 C ATOM 1246 C PRO A 82 13.214 6.154 -7.144 1.00 0.00 C ATOM 1247 O PRO A 82 13.024 6.650 -6.033 1.00 0.00 O ATOM 1248 CB PRO A 82 15.151 4.559 -7.067 1.00 0.00 C ATOM 1249 CG PRO A 82 16.620 4.765 -6.940 1.00 0.00 C ATOM 1250 CD PRO A 82 16.810 6.225 -6.626 1.00 0.00 C ATOM 0 HA PRO A 82 14.540 5.872 -8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.696 4.342 -6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.924 3.718 -7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.035 4.139 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.133 4.495 -7.863 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.898 6.396 -5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.715 6.620 -7.087 1.00 0.00 H new ATOM 1258 N LYS A 83 12.228 5.834 -7.974 1.00 0.00 N ATOM 1259 CA LYS A 83 10.828 6.051 -7.625 1.00 0.00 C ATOM 1260 C LYS A 83 10.348 5.019 -6.609 1.00 0.00 C ATOM 1261 O LYS A 83 10.063 3.875 -6.961 1.00 0.00 O ATOM 1262 CB LYS A 83 9.957 5.988 -8.882 1.00 0.00 C ATOM 1263 CG LYS A 83 9.801 7.328 -9.581 1.00 0.00 C ATOM 1264 CD LYS A 83 9.343 7.155 -11.020 1.00 0.00 C ATOM 1265 CE LYS A 83 9.594 8.410 -11.839 1.00 0.00 C ATOM 1266 NZ LYS A 83 8.858 9.585 -11.297 1.00 0.00 N ATOM 0 H LYS A 83 12.372 5.422 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 83 10.741 7.040 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.392 5.272 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.970 5.611 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.080 7.940 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.751 7.862 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.868 6.314 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.280 6.914 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.662 8.626 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.290 8.236 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.002 10.403 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.843 9.364 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.214 9.809 -10.346 1.00 0.00 H new ATOM 1280 N PRO A 84 10.238 5.421 -5.330 1.00 0.00 N ATOM 1281 CA PRO A 84 9.777 4.552 -4.246 1.00 0.00 C ATOM 1282 C PRO A 84 8.616 3.654 -4.666 1.00 0.00 C ATOM 1283 O PRO A 84 7.808 4.025 -5.517 1.00 0.00 O ATOM 1284 CB PRO A 84 9.324 5.548 -3.162 1.00 0.00 C ATOM 1285 CG PRO A 84 9.488 6.906 -3.771 1.00 0.00 C ATOM 1286 CD PRO A 84 10.536 6.758 -4.821 1.00 0.00 C ATOM 0 HA PRO A 84 10.557 3.865 -3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.288 5.370 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.927 5.447 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.550 7.257 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.787 7.637 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.454 7.521 -5.595 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.543 6.827 -4.410 1.00 0.00 H new ATOM 1294 N GLN A 85 8.540 2.473 -4.061 1.00 0.00 N ATOM 1295 CA GLN A 85 7.479 1.523 -4.371 1.00 0.00 C ATOM 1296 C GLN A 85 6.120 2.075 -3.954 1.00 0.00 C ATOM 1297 O GLN A 85 6.027 2.915 -3.059 1.00 0.00 O ATOM 1298 CB GLN A 85 7.742 0.188 -3.670 1.00 0.00 C ATOM 1299 CG GLN A 85 8.156 -0.925 -4.619 1.00 0.00 C ATOM 1300 CD GLN A 85 9.219 -1.832 -4.026 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.055 -3.050 -3.980 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.314 -1.236 -3.570 1.00 0.00 N ATOM 0 H GLN A 85 9.201 2.152 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 85 7.469 1.361 -5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.524 0.327 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.842 -0.117 -3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.280 -1.520 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.531 -0.488 -5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.405 -0.222 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.064 -1.792 -3.160 1.00 0.00 H new ATOM 1311 N ARG A 86 5.068 1.592 -4.605 1.00 0.00 N ATOM 1312 CA ARG A 86 3.712 2.035 -4.302 1.00 0.00 C ATOM 1313 C ARG A 86 2.698 0.949 -4.656 1.00 0.00 C ATOM 1314 O ARG A 86 2.595 0.539 -5.812 1.00 0.00 O ATOM 1315 CB ARG A 86 3.389 3.318 -5.070 1.00 0.00 C ATOM 1316 CG ARG A 86 4.288 4.488 -4.702 1.00 0.00 C ATOM 1317 CD ARG A 86 3.811 5.780 -5.344 1.00 0.00 C ATOM 1318 NE ARG A 86 4.797 6.851 -5.216 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.960 6.869 -5.863 1.00 0.00 C ATOM 1320 NH1 ARG A 86 6.286 5.877 -6.682 1.00 0.00 N ATOM 1321 NH2 ARG A 86 6.799 7.880 -5.688 1.00 0.00 N ATOM 0 H ARG A 86 5.128 0.894 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 86 3.650 2.235 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.478 3.124 -6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.352 3.594 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.309 4.605 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.309 4.278 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.601 5.605 -6.399 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.875 6.091 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 86 4.581 7.630 -4.594 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.644 5.096 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.178 5.895 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.553 8.643 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.690 7.895 -6.183 1.00 0.00 H new ATOM 1335 N HIS A 87 1.952 0.491 -3.657 1.00 0.00 N ATOM 1336 CA HIS A 87 0.946 -0.543 -3.871 1.00 0.00 C ATOM 1337 C HIS A 87 -0.420 0.082 -4.133 1.00 0.00 C ATOM 1338 O HIS A 87 -0.687 1.207 -3.712 1.00 0.00 O ATOM 1339 CB HIS A 87 0.871 -1.475 -2.658 1.00 0.00 C ATOM 1340 CG HIS A 87 2.187 -2.086 -2.291 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.686 -3.220 -2.895 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.111 -1.715 -1.373 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.859 -3.521 -2.365 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.139 -2.622 -1.439 1.00 0.00 N ATOM 0 H HIS A 87 2.024 0.818 -2.694 1.00 0.00 H new ATOM 0 HA HIS A 87 1.237 -1.125 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.488 -0.916 -1.804 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.155 -2.271 -2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.050 -0.863 -0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.482 -4.359 -2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.983 -2.605 -0.866 1.00 0.00 H new ATOM 1353 N MET A 88 -1.279 -0.648 -4.836 1.00 0.00 N ATOM 1354 CA MET A 88 -2.613 -0.150 -5.155 1.00 0.00 C ATOM 1355 C MET A 88 -3.688 -1.179 -4.821 1.00 0.00 C ATOM 1356 O MET A 88 -3.707 -2.278 -5.378 1.00 0.00 O ATOM 1357 CB MET A 88 -2.697 0.227 -6.635 1.00 0.00 C ATOM 1358 CG MET A 88 -4.033 0.836 -7.032 1.00 0.00 C ATOM 1359 SD MET A 88 -4.167 1.113 -8.809 1.00 0.00 S ATOM 1360 CE MET A 88 -5.821 1.791 -8.921 1.00 0.00 C ATOM 0 H MET A 88 -1.078 -1.582 -5.194 1.00 0.00 H new ATOM 0 HA MET A 88 -2.791 0.736 -4.545 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.901 0.935 -6.867 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.519 -0.663 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.839 0.177 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.166 1.783 -6.509 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.277 1.485 -9.863 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.422 1.422 -8.090 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.772 2.879 -8.878 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.588 -0.807 -3.916 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.678 -1.685 -3.509 1.00 0.00 C ATOM 1372 C PHE A 89 -7.013 -0.960 -3.634 1.00 0.00 C ATOM 1373 O PHE A 89 -7.191 0.124 -3.080 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.473 -2.159 -2.068 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.218 -2.962 -1.872 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.018 -2.335 -1.584 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.242 -4.344 -1.976 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.861 -3.071 -1.401 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.090 -5.085 -1.794 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.898 -4.447 -1.507 1.00 0.00 C ATOM 0 H PHE A 89 -4.583 0.100 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.685 -2.555 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.446 -1.291 -1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.330 -2.761 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.985 -1.259 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.171 -4.847 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.931 -2.570 -1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.121 -6.161 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.996 -5.024 -1.366 1.00 0.00 H new ATOM 1390 N SER A 90 -7.947 -1.555 -4.367 1.00 0.00 N ATOM 1391 CA SER A 90 -9.259 -0.948 -4.564 1.00 0.00 C ATOM 1392 C SER A 90 -10.288 -1.534 -3.603 1.00 0.00 C ATOM 1393 O SER A 90 -10.406 -2.751 -3.466 1.00 0.00 O ATOM 1394 CB SER A 90 -9.724 -1.140 -6.010 1.00 0.00 C ATOM 1395 OG SER A 90 -8.911 -2.080 -6.689 1.00 0.00 O ATOM 0 H SER A 90 -7.822 -2.454 -4.833 1.00 0.00 H new ATOM 0 HA SER A 90 -9.168 0.118 -4.357 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.760 -1.478 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.695 -0.185 -6.534 1.00 0.00 H new ATOM 0 HG SER A 90 -9.231 -2.185 -7.609 1.00 0.00 H new ATOM 1401 N PHE A 91 -11.035 -0.656 -2.942 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.060 -1.081 -1.997 1.00 0.00 C ATOM 1403 C PHE A 91 -13.428 -0.554 -2.416 1.00 0.00 C ATOM 1404 O PHE A 91 -13.524 0.383 -3.208 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.723 -0.588 -0.588 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.370 -1.028 -0.104 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.217 -0.500 -0.661 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.252 -1.964 0.910 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.970 -0.899 -0.216 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.008 -2.368 1.358 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.866 -1.834 0.794 1.00 0.00 C ATOM 0 H PHE A 91 -10.949 0.355 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.090 -2.171 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.769 0.501 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.483 -0.949 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.293 0.232 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.142 -2.383 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.078 -0.479 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.929 -3.100 2.148 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.893 -2.148 1.143 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.484 -1.161 -1.885 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.843 -0.745 -2.211 1.00 0.00 C ATOM 1423 C ASN A 92 -16.629 -0.408 -0.949 1.00 0.00 C ATOM 1424 O ASN A 92 -17.851 -0.557 -0.908 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.564 -1.843 -2.992 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.825 -2.233 -4.257 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.301 -1.379 -4.973 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.779 -3.530 -4.540 1.00 0.00 N ATOM 0 H ASN A 92 -14.425 -1.940 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.780 0.150 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.679 -2.721 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.567 -1.503 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.296 -3.852 -5.378 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.227 -4.204 -3.919 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.922 0.047 0.079 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.554 0.405 1.342 1.00 0.00 C ATOM 1437 C ASN A 93 -15.692 1.397 2.117 1.00 0.00 C ATOM 1438 O ASN A 93 -14.604 1.055 2.581 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.799 -0.845 2.189 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.775 -1.803 1.535 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.933 -1.463 1.299 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.308 -3.010 1.236 1.00 0.00 N ATOM 0 H ASN A 93 -14.910 0.177 0.062 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.511 0.876 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.852 -1.356 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.183 -0.550 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.918 -3.697 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.340 -3.250 1.450 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.184 2.624 2.252 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.457 3.666 2.971 1.00 0.00 C ATOM 1451 C ARG A 94 -15.053 3.191 4.363 1.00 0.00 C ATOM 1452 O ARG A 94 -14.054 3.640 4.921 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.309 4.933 3.074 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.563 6.201 2.690 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.546 6.592 3.748 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.465 8.042 3.920 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.430 8.666 4.477 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.387 7.973 4.921 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -13.436 9.987 4.591 1.00 0.00 N ATOM 0 H ARG A 94 -17.083 2.922 1.873 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.550 3.893 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.183 4.827 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.675 5.032 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.058 6.052 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.275 7.015 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.814 6.129 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.566 6.205 3.470 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.248 8.608 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.376 6.957 4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.597 8.457 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.234 10.525 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.643 10.466 5.018 1.00 0.00 H new ATOM 1473 N THR A 95 -15.840 2.276 4.912 1.00 0.00 N ATOM 1474 CA THR A 95 -15.577 1.729 6.233 1.00 0.00 C ATOM 1475 C THR A 95 -14.455 0.698 6.180 1.00 0.00 C ATOM 1476 O THR A 95 -13.462 0.803 6.900 1.00 0.00 O ATOM 1477 CB THR A 95 -16.856 1.109 6.795 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.498 2.002 7.686 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.640 -0.195 7.531 1.00 0.00 C ATOM 0 H THR A 95 -16.671 1.896 4.458 1.00 0.00 H new ATOM 0 HA THR A 95 -15.255 2.536 6.891 1.00 0.00 H new ATOM 0 HB THR A 95 -17.472 0.905 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.315 1.587 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.596 -0.568 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.201 -0.927 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.967 -0.031 8.373 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.626 -0.299 5.322 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.637 -1.357 5.169 1.00 0.00 C ATOM 1489 C VAL A 96 -12.273 -0.778 4.820 1.00 0.00 C ATOM 1490 O VAL A 96 -11.255 -1.174 5.391 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.058 -2.365 4.083 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.077 -3.526 4.018 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.474 -2.863 4.341 1.00 0.00 C ATOM 0 H VAL A 96 -15.443 -0.397 4.720 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.572 -1.878 6.124 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.045 -1.859 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.393 -4.226 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.082 -3.149 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.052 -4.036 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.757 -3.574 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.516 -3.352 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.164 -2.019 4.329 1.00 0.00 H new ATOM 1503 N MET A 97 -12.257 0.169 3.892 1.00 0.00 N ATOM 1504 CA MET A 97 -11.015 0.809 3.486 1.00 0.00 C ATOM 1505 C MET A 97 -10.438 1.614 4.643 1.00 0.00 C ATOM 1506 O MET A 97 -9.222 1.679 4.823 1.00 0.00 O ATOM 1507 CB MET A 97 -11.247 1.719 2.280 1.00 0.00 C ATOM 1508 CG MET A 97 -12.407 2.684 2.459 1.00 0.00 C ATOM 1509 SD MET A 97 -11.887 4.411 2.434 1.00 0.00 S ATOM 1510 CE MET A 97 -11.103 4.502 0.828 1.00 0.00 C ATOM 0 H MET A 97 -13.088 0.510 3.408 1.00 0.00 H new ATOM 0 HA MET A 97 -10.304 0.033 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.338 2.289 2.085 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.431 1.102 1.400 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.138 2.518 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.907 2.473 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.285 5.221 0.863 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.713 3.521 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.834 4.819 0.084 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.322 2.221 5.431 1.00 0.00 N ATOM 1521 CA ASP A 98 -10.899 3.012 6.578 1.00 0.00 C ATOM 1522 C ASP A 98 -10.262 2.123 7.634 1.00 0.00 C ATOM 1523 O ASP A 98 -9.339 2.534 8.336 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.086 3.771 7.174 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.341 5.093 6.476 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.591 5.423 5.534 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.292 5.800 6.871 1.00 0.00 O ATOM 0 H ASP A 98 -12.332 2.179 5.295 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.158 3.735 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.980 3.151 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.902 3.953 8.233 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.753 0.896 7.732 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.221 -0.059 8.693 1.00 0.00 C ATOM 1534 C ASN A 99 -8.767 -0.369 8.364 1.00 0.00 C ATOM 1535 O ASN A 99 -7.942 -0.562 9.256 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.046 -1.347 8.689 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.499 -1.104 9.050 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.823 -0.155 9.764 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.383 -1.964 8.556 1.00 0.00 N ATOM 0 H ASN A 99 -11.518 0.539 7.159 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.278 0.382 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.992 -1.807 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.613 -2.055 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.375 -1.852 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.070 -2.736 7.968 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.463 -0.401 7.072 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.110 -0.671 6.603 1.00 0.00 C ATOM 1548 C ILE A 100 -6.196 0.508 6.900 1.00 0.00 C ATOM 1549 O ILE A 100 -5.131 0.351 7.499 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.092 -0.952 5.088 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.137 -2.009 4.730 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.708 -1.397 4.640 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.819 -3.383 5.276 1.00 0.00 C ATOM 0 H ILE A 100 -9.141 -0.242 6.326 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.751 -1.554 7.132 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.339 -0.029 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.108 -1.692 5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.224 -2.069 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.717 -1.590 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.984 -0.613 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.429 -2.308 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.603 -4.081 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.863 -3.721 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.761 -3.338 6.364 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.627 1.693 6.484 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.859 2.910 6.706 1.00 0.00 C ATOM 1567 C LYS A 101 -5.744 3.208 8.198 1.00 0.00 C ATOM 1568 O LYS A 101 -4.787 3.839 8.647 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.503 4.091 5.970 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.674 4.724 6.710 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.381 5.757 5.848 1.00 0.00 C ATOM 1572 CE LYS A 101 -9.259 6.673 6.685 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.513 7.264 7.831 1.00 0.00 N ATOM 0 H LYS A 101 -7.508 1.836 5.989 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.855 2.761 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.744 4.853 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.846 3.752 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.381 3.949 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.316 5.195 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.642 6.351 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.990 5.252 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.652 7.472 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.115 6.112 7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.841 8.238 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.681 6.695 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.496 7.273 7.616 1.00 0.00 H new ATOM 1587 N MET A 102 -6.730 2.744 8.957 1.00 0.00 N ATOM 1588 CA MET A 102 -6.751 2.953 10.398 1.00 0.00 C ATOM 1589 C MET A 102 -5.806 1.984 11.091 1.00 0.00 C ATOM 1590 O MET A 102 -5.130 2.343 12.055 1.00 0.00 O ATOM 1591 CB MET A 102 -8.170 2.784 10.944 1.00 0.00 C ATOM 1592 CG MET A 102 -9.021 4.039 10.825 1.00 0.00 C ATOM 1593 SD MET A 102 -10.580 3.908 11.720 1.00 0.00 S ATOM 1594 CE MET A 102 -11.304 2.471 10.935 1.00 0.00 C ATOM 0 H MET A 102 -7.527 2.219 8.596 1.00 0.00 H new ATOM 0 HA MET A 102 -6.418 3.971 10.600 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.661 1.970 10.411 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.115 2.491 11.992 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.459 4.892 11.205 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.226 4.236 9.773 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.352 2.387 11.225 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.234 2.574 9.852 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.768 1.576 11.250 1.00 0.00 H new ATOM 1604 N THR A 103 -5.760 0.754 10.593 1.00 0.00 N ATOM 1605 CA THR A 103 -4.891 -0.261 11.165 1.00 0.00 C ATOM 1606 C THR A 103 -3.450 -0.060 10.699 1.00 0.00 C ATOM 1607 O THR A 103 -2.508 -0.254 11.468 1.00 0.00 O ATOM 1608 CB THR A 103 -5.403 -1.652 10.793 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.886 -2.334 11.937 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.352 -2.517 10.155 1.00 0.00 C ATOM 0 H THR A 103 -6.314 0.438 9.797 1.00 0.00 H new ATOM 0 HA THR A 103 -4.903 -0.168 12.251 1.00 0.00 H new ATOM 0 HB THR A 103 -6.202 -1.483 10.071 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.183 -2.918 12.291 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.779 -3.491 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.995 -2.042 9.241 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.519 -2.646 10.846 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.286 0.328 9.440 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.959 0.555 8.883 1.00 0.00 C ATOM 1620 C LEU A 104 -1.264 1.702 9.605 1.00 0.00 C ATOM 1621 O LEU A 104 -0.067 1.638 9.882 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.053 0.852 7.387 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.971 -0.375 6.477 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.302 0.001 5.041 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.589 -1.006 6.560 1.00 0.00 C ATOM 0 H LEU A 104 -4.053 0.491 8.788 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.369 -0.351 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.994 1.367 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.251 1.540 7.117 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.705 -1.106 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.238 -0.885 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.312 0.408 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.593 0.750 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.547 -1.878 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.162 -0.281 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.390 -1.312 7.587 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.021 2.751 9.910 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.477 3.910 10.602 1.00 0.00 C ATOM 1639 C GLN A 105 -0.978 3.533 11.992 1.00 0.00 C ATOM 1640 O GLN A 105 -0.075 4.169 12.535 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.531 5.016 10.704 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.364 6.113 9.667 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.367 7.237 9.841 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.353 7.099 10.565 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.120 8.359 9.176 1.00 0.00 N ATOM 0 H GLN A 105 -3.014 2.821 9.688 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.631 4.280 10.023 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.521 4.574 10.596 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.486 5.458 11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.354 6.519 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.472 5.685 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.290 8.431 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.760 9.150 9.254 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.573 2.495 12.563 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.190 2.029 13.891 1.00 0.00 C ATOM 1656 C GLN A 106 0.188 1.377 13.869 1.00 0.00 C ATOM 1657 O GLN A 106 0.978 1.540 14.797 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.227 1.041 14.427 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.554 1.687 14.786 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.602 0.674 15.203 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.465 -0.522 14.943 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.659 1.148 15.853 1.00 0.00 N ATOM 0 H GLN A 106 -2.324 1.958 12.128 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.148 2.895 14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.400 0.267 13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.823 0.546 15.310 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.400 2.399 15.597 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.922 2.253 13.930 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.732 2.147 16.048 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.397 0.513 16.157 1.00 0.00 H new ATOM 1671 N ILE A 107 0.470 0.630 12.806 1.00 0.00 N ATOM 1672 CA ILE A 107 1.751 -0.053 12.669 1.00 0.00 C ATOM 1673 C ILE A 107 2.891 0.934 12.456 1.00 0.00 C ATOM 1674 O ILE A 107 3.932 0.840 13.105 1.00 0.00 O ATOM 1675 CB ILE A 107 1.725 -1.065 11.508 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.570 -2.050 11.689 1.00 0.00 C ATOM 1677 CG2 ILE A 107 3.050 -1.806 11.415 1.00 0.00 C ATOM 1678 CD1 ILE A 107 0.283 -2.881 10.458 1.00 0.00 C ATOM 0 H ILE A 107 -0.172 0.483 12.027 1.00 0.00 H new ATOM 0 HA ILE A 107 1.922 -0.589 13.602 1.00 0.00 H new ATOM 0 HB ILE A 107 1.573 -0.520 10.576 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.799 -2.716 12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.329 -1.497 11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.012 -2.516 10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.855 -1.092 11.243 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.233 -2.342 12.346 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.548 -3.557 10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.023 -2.224 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.167 -3.462 10.197 1.00 0.00 H new ATOM 1690 N ILE A 108 2.692 1.889 11.557 1.00 0.00 N ATOM 1691 CA ILE A 108 3.717 2.895 11.292 1.00 0.00 C ATOM 1692 C ILE A 108 4.071 3.604 12.576 1.00 0.00 C ATOM 1693 O ILE A 108 5.212 3.584 13.035 1.00 0.00 O ATOM 1694 CB ILE A 108 3.252 3.965 10.283 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.426 3.349 9.160 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.451 4.709 9.718 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.391 4.297 8.597 1.00 0.00 C ATOM 0 H ILE A 108 1.841 1.990 11.004 1.00 0.00 H new ATOM 0 HA ILE A 108 4.572 2.367 10.871 1.00 0.00 H new ATOM 0 HB ILE A 108 2.614 4.673 10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.093 3.031 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.927 2.455 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.110 5.462 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.993 5.195 10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.111 4.004 9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.836 3.799 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.703 4.595 9.388 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.887 5.181 8.195 1.00 0.00 H new ATOM 1709 N SER A 109 3.059 4.227 13.143 1.00 0.00 N ATOM 1710 CA SER A 109 3.202 4.964 14.394 1.00 0.00 C ATOM 1711 C SER A 109 3.927 4.134 15.449 1.00 0.00 C ATOM 1712 O SER A 109 4.605 4.678 16.321 1.00 0.00 O ATOM 1713 CB SER A 109 1.831 5.394 14.918 1.00 0.00 C ATOM 1714 OG SER A 109 1.124 6.147 13.947 1.00 0.00 O ATOM 0 H SER A 109 2.115 4.241 12.756 1.00 0.00 H new ATOM 0 HA SER A 109 3.802 5.851 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.251 4.513 15.192 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.955 5.988 15.823 1.00 0.00 H new ATOM 0 HG SER A 109 0.622 5.540 13.364 1.00 0.00 H new ATOM 1720 N ARG A 110 3.786 2.817 15.362 1.00 0.00 N ATOM 1721 CA ARG A 110 4.439 1.923 16.313 1.00 0.00 C ATOM 1722 C ARG A 110 5.944 1.898 16.086 1.00 0.00 C ATOM 1723 O ARG A 110 6.725 1.737 17.024 1.00 0.00 O ATOM 1724 CB ARG A 110 3.874 0.506 16.199 1.00 0.00 C ATOM 1725 CG ARG A 110 2.590 0.293 16.985 1.00 0.00 C ATOM 1726 CD ARG A 110 1.948 -1.042 16.645 1.00 0.00 C ATOM 1727 NE ARG A 110 0.538 -1.085 17.024 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.110 -1.172 18.281 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.979 -1.227 19.284 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -1.190 -1.205 18.538 1.00 0.00 N ATOM 0 H ARG A 110 3.230 2.346 14.649 1.00 0.00 H new ATOM 0 HA ARG A 110 4.242 2.301 17.316 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.687 0.283 15.149 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.624 -0.204 16.547 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.804 0.334 18.053 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.891 1.101 16.769 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.041 -1.227 15.575 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.485 -1.842 17.155 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.160 -1.046 16.281 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.981 -1.203 19.093 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.645 -1.294 20.245 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.862 -1.164 17.772 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.518 -1.272 19.502 1.00 0.00 H new ATOM 1744 N TYR A 111 6.340 2.058 14.832 1.00 0.00 N ATOM 1745 CA TYR A 111 7.752 2.056 14.469 1.00 0.00 C ATOM 1746 C TYR A 111 8.300 3.478 14.395 1.00 0.00 C ATOM 1747 O TYR A 111 9.476 3.715 14.670 1.00 0.00 O ATOM 1748 CB TYR A 111 7.954 1.342 13.130 1.00 0.00 C ATOM 1749 CG TYR A 111 7.663 -0.140 13.193 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.563 -1.018 13.784 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.490 -0.661 12.663 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.301 -2.372 13.849 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.221 -2.014 12.723 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.129 -2.865 13.317 1.00 0.00 C ATOM 1755 OH TYR A 111 6.863 -4.213 13.378 1.00 0.00 O ATOM 0 H TYR A 111 5.703 2.191 14.046 1.00 0.00 H new ATOM 0 HA TYR A 111 8.300 1.520 15.243 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.309 1.800 12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.982 1.490 12.799 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.483 -0.635 14.200 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.777 0.003 12.197 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.010 -3.041 14.314 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.304 -2.404 12.307 1.00 0.00 H new ATOM 0 HH TYR A 111 5.915 -4.368 13.184 1.00 0.00 H new ATOM 1765 N LYS A 112 7.438 4.420 14.029 1.00 0.00 N ATOM 1766 CA LYS A 112 7.835 5.819 13.926 1.00 0.00 C ATOM 1767 C LYS A 112 8.141 6.392 15.305 1.00 0.00 C ATOM 1768 O LYS A 112 9.055 7.200 15.466 1.00 0.00 O ATOM 1769 CB LYS A 112 6.731 6.635 13.249 1.00 0.00 C ATOM 1770 CG LYS A 112 7.164 7.265 11.933 1.00 0.00 C ATOM 1771 CD LYS A 112 6.271 6.829 10.784 1.00 0.00 C ATOM 1772 CE LYS A 112 6.090 7.942 9.764 1.00 0.00 C ATOM 1773 NZ LYS A 112 7.003 7.783 8.599 1.00 0.00 N ATOM 0 H LYS A 112 6.461 4.240 13.799 1.00 0.00 H new ATOM 0 HA LYS A 112 8.738 5.877 13.319 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.871 5.990 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.402 7.421 13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.138 8.351 12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.196 6.987 11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.704 5.955 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.298 6.528 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.057 7.951 9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.275 8.905 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.848 8.562 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.990 7.800 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.810 6.876 8.128 1.00 0.00 H new