USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 703 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 20 HIS : no HE2:sc= 0.847 K(o=1.9,f=-9.5!) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -133:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 19 SER OG : rot -137:sc= 0.928 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= 1.07 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.574 K(o=-0.57,f=-2.3!) USER MOD Single : A 37 HIS : no HD1:sc= -0.66 X(o=-0.66,f=-0.9) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 45 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-2.7!) USER MOD Single : A 53 GLN : amide:sc= -2.76! K(o=-2.8!,f=-1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -29:sc= 0.455 USER MOD Single : A 60 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-6.6!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.0865 (180deg=-0.842) USER MOD Single : A 72 TYR OH : rot 130:sc= -0.712 USER MOD Single : A 85 GLN : amide:sc= -3.91 K(o=-3.9,f=-6!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0512 (180deg=-0.605) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.0991 X(o=-0.099,f=-0.33) USER MOD Single : A 96 LYS NZ :NH3+ -119:sc= -0.394 (180deg=-3.64!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.453 K(o=-0.45,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 102 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 28.135 2.550 -8.429 1.00 0.00 N ATOM 2 CA GLY A 12 28.741 1.414 -7.682 1.00 0.00 C ATOM 3 C GLY A 12 27.651 0.657 -6.932 1.00 0.00 C ATOM 4 O GLY A 12 27.212 -0.410 -7.368 1.00 0.00 O ATOM 0 HA2 GLY A 12 29.254 0.744 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 12 29.489 1.784 -6.981 1.00 0.00 H new ATOM 10 N GLY A 13 27.216 1.217 -5.797 1.00 0.00 N ATOM 11 CA GLY A 13 26.169 0.603 -4.966 1.00 0.00 C ATOM 12 C GLY A 13 24.798 0.775 -5.609 1.00 0.00 C ATOM 13 O GLY A 13 23.829 1.145 -4.942 1.00 0.00 O ATOM 0 H GLY A 13 27.574 2.099 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 13 26.381 -0.457 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 13 26.171 1.058 -3.976 1.00 0.00 H new ATOM 17 N LEU A 14 24.722 0.510 -6.919 1.00 0.00 N ATOM 18 CA LEU A 14 23.464 0.643 -7.667 1.00 0.00 C ATOM 19 C LEU A 14 22.443 -0.343 -7.155 1.00 0.00 C ATOM 20 O LEU A 14 21.266 -0.007 -6.976 1.00 0.00 O ATOM 21 CB LEU A 14 23.743 0.359 -9.167 1.00 0.00 C ATOM 22 CG LEU A 14 24.673 1.467 -9.788 1.00 0.00 C ATOM 23 CD1 LEU A 14 25.298 0.961 -11.119 1.00 0.00 C ATOM 24 CD2 LEU A 14 23.874 2.784 -10.053 1.00 0.00 C ATOM 0 H LEU A 14 25.515 0.203 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 14 23.073 1.652 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 24.214 -0.618 -9.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.801 0.321 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 14 25.467 1.679 -9.072 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.939 1.737 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 25.890 0.066 -10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 24.504 0.725 -11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 24.539 3.533 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 14 23.059 2.582 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 14 23.465 3.157 -9.114 1.00 0.00 H new ATOM 36 N VAL A 15 22.899 -1.577 -6.939 1.00 0.00 N ATOM 37 CA VAL A 15 22.006 -2.614 -6.469 1.00 0.00 C ATOM 38 C VAL A 15 21.623 -2.343 -4.992 1.00 0.00 C ATOM 39 O VAL A 15 22.523 -2.212 -4.158 1.00 0.00 O ATOM 40 CB VAL A 15 22.656 -4.026 -6.605 1.00 0.00 C ATOM 41 CG1 VAL A 15 23.916 -4.171 -5.681 1.00 0.00 C ATOM 42 CG2 VAL A 15 21.589 -5.134 -6.269 1.00 0.00 C ATOM 0 H VAL A 15 23.865 -1.871 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 15 21.108 -2.599 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 15 22.993 -4.152 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.343 -5.167 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.658 -3.422 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.623 -4.025 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.045 -6.119 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 15 21.231 -4.997 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.751 -5.054 -6.961 1.00 0.00 H new ATOM 52 N PRO A 16 20.343 -2.324 -4.631 1.00 0.00 N ATOM 53 CA PRO A 16 19.923 -2.164 -3.198 1.00 0.00 C ATOM 54 C PRO A 16 20.582 -3.230 -2.298 1.00 0.00 C ATOM 55 O PRO A 16 20.866 -4.340 -2.750 1.00 0.00 O ATOM 56 CB PRO A 16 18.376 -2.369 -3.247 1.00 0.00 C ATOM 57 CG PRO A 16 17.988 -1.975 -4.644 1.00 0.00 C ATOM 58 CD PRO A 16 19.162 -2.412 -5.527 1.00 0.00 C ATOM 0 HA PRO A 16 20.218 -1.201 -2.781 1.00 0.00 H new ATOM 0 HB2 PRO A 16 18.106 -3.404 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 16 17.870 -1.751 -2.505 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.063 -2.465 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 17.819 -0.901 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 16 19.022 -3.425 -5.903 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.271 -1.762 -6.395 1.00 0.00 H new ATOM 66 N ARG A 17 20.800 -2.882 -1.034 1.00 0.00 N ATOM 67 CA ARG A 17 21.404 -3.799 -0.060 1.00 0.00 C ATOM 68 C ARG A 17 20.513 -5.017 0.155 1.00 0.00 C ATOM 69 O ARG A 17 21.005 -6.136 0.321 1.00 0.00 O ATOM 70 CB ARG A 17 21.594 -3.032 1.276 1.00 0.00 C ATOM 71 CG ARG A 17 22.644 -1.874 1.117 1.00 0.00 C ATOM 72 CD ARG A 17 24.081 -2.431 1.151 1.00 0.00 C ATOM 73 NE ARG A 17 25.048 -1.357 0.933 1.00 0.00 N ATOM 74 CZ ARG A 17 26.364 -1.592 0.971 1.00 0.00 C ATOM 75 NH1 ARG A 17 26.806 -2.805 1.203 1.00 0.00 N ATOM 76 NH2 ARG A 17 27.196 -0.619 0.775 1.00 0.00 N ATOM 0 H ARG A 17 20.567 -1.965 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 17 22.366 -4.151 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 17 20.639 -2.619 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 17 21.924 -3.723 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 17 22.474 -1.350 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 17 22.512 -1.145 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 17 24.270 -2.910 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 17 24.199 -3.197 0.385 1.00 0.00 H new ATOM 0 HE ARG A 17 24.713 -0.411 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 17 26.146 -3.568 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 17 27.810 -2.985 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.847 0.322 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 17 28.201 -0.794 0.803 1.00 0.00 H new ATOM 90 N GLY A 18 19.203 -4.789 0.153 1.00 0.00 N ATOM 91 CA GLY A 18 18.243 -5.875 0.352 1.00 0.00 C ATOM 92 C GLY A 18 16.820 -5.362 0.250 1.00 0.00 C ATOM 93 O GLY A 18 16.040 -5.828 -0.586 1.00 0.00 O ATOM 0 H GLY A 18 18.782 -3.870 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.408 -6.653 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 18 18.401 -6.331 1.329 1.00 0.00 H new ATOM 97 N SER A 19 16.479 -4.394 1.107 1.00 0.00 N ATOM 98 CA SER A 19 15.135 -3.810 1.115 1.00 0.00 C ATOM 99 C SER A 19 14.902 -3.025 -0.166 1.00 0.00 C ATOM 100 O SER A 19 15.820 -2.849 -0.971 1.00 0.00 O ATOM 101 CB SER A 19 14.970 -2.878 2.323 1.00 0.00 C ATOM 102 OG SER A 19 13.679 -2.284 2.274 1.00 0.00 O ATOM 0 H SER A 19 17.113 -4.000 1.802 1.00 0.00 H new ATOM 0 HA SER A 19 14.405 -4.617 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.092 -3.438 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.740 -2.107 2.312 1.00 0.00 H new ATOM 0 HG SER A 19 13.748 -1.333 2.501 1.00 0.00 H new ATOM 108 N HIS A 20 13.670 -2.550 -0.347 1.00 0.00 N ATOM 109 CA HIS A 20 13.313 -1.771 -1.534 1.00 0.00 C ATOM 110 C HIS A 20 11.969 -1.065 -1.317 1.00 0.00 C ATOM 111 O HIS A 20 11.932 0.113 -0.962 1.00 0.00 O ATOM 112 CB HIS A 20 13.260 -2.705 -2.777 1.00 0.00 C ATOM 113 CG HIS A 20 12.896 -1.915 -4.013 1.00 0.00 C ATOM 114 ND1 HIS A 20 11.897 -2.317 -4.883 1.00 0.00 N ATOM 115 CD2 HIS A 20 13.367 -0.726 -4.501 1.00 0.00 C ATOM 116 CE1 HIS A 20 11.797 -1.378 -5.841 1.00 0.00 C ATOM 117 NE2 HIS A 20 12.673 -0.386 -5.655 1.00 0.00 N ATOM 0 H HIS A 20 12.903 -2.690 0.311 1.00 0.00 H new ATOM 0 HA HIS A 20 14.071 -1.007 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.227 -3.189 -2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.528 -3.496 -2.615 1.00 0.00 H new ATOM 0 HD1 HIS A 20 11.340 -3.168 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.158 -0.141 -4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.095 -1.421 -6.660 1.00 0.00 H new ATOM 125 N MET A 21 10.870 -1.791 -1.549 1.00 0.00 N ATOM 126 CA MET A 21 9.520 -1.237 -1.400 1.00 0.00 C ATOM 127 C MET A 21 9.247 -0.887 0.056 1.00 0.00 C ATOM 128 O MET A 21 8.623 0.131 0.352 1.00 0.00 O ATOM 129 CB MET A 21 8.490 -2.275 -1.904 1.00 0.00 C ATOM 130 CG MET A 21 8.706 -2.557 -3.406 1.00 0.00 C ATOM 131 SD MET A 21 7.497 -3.781 -3.959 1.00 0.00 S ATOM 132 CE MET A 21 8.145 -3.981 -5.635 1.00 0.00 C ATOM 0 H MET A 21 10.890 -2.768 -1.842 1.00 0.00 H new ATOM 0 HA MET A 21 9.436 -0.324 -1.990 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.587 -3.200 -1.336 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.479 -1.904 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.599 -1.637 -3.980 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.718 -2.924 -3.578 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.539 -4.709 -6.175 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.111 -3.024 -6.155 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.176 -4.332 -5.587 1.00 0.00 H new ATOM 142 N ALA A 22 9.722 -1.748 0.965 1.00 0.00 N ATOM 143 CA ALA A 22 9.528 -1.534 2.403 1.00 0.00 C ATOM 144 C ALA A 22 10.117 -0.185 2.833 1.00 0.00 C ATOM 145 O ALA A 22 9.508 0.545 3.607 1.00 0.00 O ATOM 146 CB ALA A 22 10.200 -2.677 3.199 1.00 0.00 C ATOM 0 H ALA A 22 10.241 -2.595 0.731 1.00 0.00 H new ATOM 0 HA ALA A 22 8.458 -1.528 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.053 -2.513 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.754 -3.630 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.267 -2.695 2.979 1.00 0.00 H new ATOM 152 N SER A 23 11.312 0.130 2.319 1.00 0.00 N ATOM 153 CA SER A 23 11.985 1.395 2.649 1.00 0.00 C ATOM 154 C SER A 23 11.216 2.585 2.078 1.00 0.00 C ATOM 155 O SER A 23 11.036 3.602 2.748 1.00 0.00 O ATOM 156 CB SER A 23 13.419 1.378 2.086 1.00 0.00 C ATOM 157 OG SER A 23 14.132 0.315 2.694 1.00 0.00 O ATOM 0 H SER A 23 11.831 -0.469 1.677 1.00 0.00 H new ATOM 0 HA SER A 23 12.019 1.499 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.399 1.249 1.004 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.915 2.328 2.285 1.00 0.00 H new ATOM 0 HG SER A 23 15.047 0.292 2.343 1.00 0.00 H new ATOM 163 N LYS A 24 10.780 2.446 0.827 1.00 0.00 N ATOM 164 CA LYS A 24 10.046 3.515 0.146 1.00 0.00 C ATOM 165 C LYS A 24 8.654 3.646 0.701 1.00 0.00 C ATOM 166 O LYS A 24 8.017 4.677 0.502 1.00 0.00 O ATOM 167 CB LYS A 24 9.967 3.235 -1.366 1.00 0.00 C ATOM 168 CG LYS A 24 11.379 3.325 -2.016 1.00 0.00 C ATOM 169 CD LYS A 24 11.284 3.207 -3.561 1.00 0.00 C ATOM 170 CE LYS A 24 10.753 1.819 -3.998 1.00 0.00 C ATOM 171 NZ LYS A 24 10.947 1.684 -5.455 1.00 0.00 N ATOM 0 H LYS A 24 10.921 1.607 0.265 1.00 0.00 H new ATOM 0 HA LYS A 24 10.584 4.448 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.545 2.244 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.297 3.952 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.848 4.271 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.016 2.531 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.626 3.986 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.267 3.375 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.283 1.027 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.697 1.720 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.073 1.325 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.180 2.612 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.725 1.019 -5.642 1.00 0.00 H new ATOM 185 N ARG A 25 8.176 2.600 1.369 1.00 0.00 N ATOM 186 CA ARG A 25 6.824 2.605 1.928 1.00 0.00 C ATOM 187 C ARG A 25 6.545 3.914 2.678 1.00 0.00 C ATOM 188 O ARG A 25 5.428 4.427 2.660 1.00 0.00 O ATOM 189 CB ARG A 25 6.652 1.404 2.881 1.00 0.00 C ATOM 190 CG ARG A 25 5.161 1.252 3.307 1.00 0.00 C ATOM 191 CD ARG A 25 5.001 0.056 4.253 1.00 0.00 C ATOM 192 NE ARG A 25 5.787 0.285 5.474 1.00 0.00 N ATOM 193 CZ ARG A 25 5.880 -0.642 6.433 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.260 -1.783 6.290 1.00 0.00 N ATOM 195 NH2 ARG A 25 6.585 -0.410 7.504 1.00 0.00 N ATOM 0 H ARG A 25 8.700 1.741 1.537 1.00 0.00 H new ATOM 0 HA ARG A 25 6.110 2.524 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.990 0.492 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.276 1.541 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.821 2.163 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.535 1.114 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.950 -0.083 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.334 -0.858 3.760 1.00 0.00 H new ATOM 0 HE ARG A 25 6.274 1.174 5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.709 -1.962 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.327 -2.494 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.068 0.481 7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.653 -1.120 8.233 1.00 0.00 H new ATOM 209 N ASP A 26 7.585 4.436 3.333 1.00 0.00 N ATOM 210 CA ASP A 26 7.470 5.687 4.082 1.00 0.00 C ATOM 211 C ASP A 26 7.562 6.867 3.121 1.00 0.00 C ATOM 212 O ASP A 26 6.770 7.812 3.189 1.00 0.00 O ATOM 213 CB ASP A 26 8.597 5.775 5.137 1.00 0.00 C ATOM 214 CG ASP A 26 8.441 7.050 5.980 1.00 0.00 C ATOM 215 OD1 ASP A 26 7.602 7.045 6.866 1.00 0.00 O ATOM 216 OD2 ASP A 26 9.135 8.015 5.704 1.00 0.00 O ATOM 0 H ASP A 26 8.513 4.013 3.359 1.00 0.00 H new ATOM 0 HA ASP A 26 6.507 5.714 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.568 4.898 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.568 5.775 4.642 1.00 0.00 H new ATOM 221 N LYS A 27 8.564 6.819 2.236 1.00 0.00 N ATOM 222 CA LYS A 27 8.791 7.902 1.281 1.00 0.00 C ATOM 223 C LYS A 27 7.619 8.056 0.341 1.00 0.00 C ATOM 224 O LYS A 27 7.426 9.110 -0.267 1.00 0.00 O ATOM 225 CB LYS A 27 10.081 7.646 0.476 1.00 0.00 C ATOM 226 CG LYS A 27 10.448 8.892 -0.414 1.00 0.00 C ATOM 227 CD LYS A 27 11.865 8.726 -1.056 1.00 0.00 C ATOM 228 CE LYS A 27 12.965 9.223 -0.092 1.00 0.00 C ATOM 229 NZ LYS A 27 14.278 8.961 -0.705 1.00 0.00 N ATOM 0 H LYS A 27 9.225 6.046 2.164 1.00 0.00 H new ATOM 0 HA LYS A 27 8.900 8.828 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.902 7.428 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.951 6.768 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.702 9.015 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.424 9.797 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.037 7.678 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.914 9.285 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.844 10.289 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.886 8.712 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.031 9.290 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.386 7.940 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.345 9.467 -1.611 1.00 0.00 H new ATOM 243 N ILE A 28 6.860 6.977 0.190 1.00 0.00 N ATOM 244 CA ILE A 28 5.722 6.976 -0.734 1.00 0.00 C ATOM 245 C ILE A 28 4.707 8.043 -0.389 1.00 0.00 C ATOM 246 O ILE A 28 4.340 8.842 -1.238 1.00 0.00 O ATOM 247 CB ILE A 28 5.007 5.559 -0.713 1.00 0.00 C ATOM 248 CG1 ILE A 28 5.717 4.566 -1.720 1.00 0.00 C ATOM 249 CG2 ILE A 28 3.445 5.643 -1.029 1.00 0.00 C ATOM 250 CD1 ILE A 28 5.240 4.802 -3.189 1.00 0.00 C ATOM 0 H ILE A 28 7.006 6.098 0.687 1.00 0.00 H new ATOM 0 HA ILE A 28 6.116 7.189 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 28 5.103 5.178 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.797 4.698 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.505 3.537 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.014 4.642 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.956 6.271 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.297 6.073 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.748 4.103 -3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.163 4.645 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.476 5.823 -3.488 1.00 0.00 H new ATOM 262 N ALA A 29 4.223 8.007 0.844 1.00 0.00 N ATOM 263 CA ALA A 29 3.194 8.933 1.298 1.00 0.00 C ATOM 264 C ALA A 29 3.821 10.246 1.682 1.00 0.00 C ATOM 265 O ALA A 29 3.140 11.258 1.767 1.00 0.00 O ATOM 266 CB ALA A 29 2.433 8.323 2.495 1.00 0.00 C ATOM 0 H ALA A 29 4.529 7.341 1.553 1.00 0.00 H new ATOM 0 HA ALA A 29 2.485 9.111 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.665 9.019 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.966 7.387 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.131 8.132 3.310 1.00 0.00 H new ATOM 272 N ASP A 30 5.132 10.229 1.955 1.00 0.00 N ATOM 273 CA ASP A 30 5.834 11.447 2.378 1.00 0.00 C ATOM 274 C ASP A 30 5.558 12.622 1.430 1.00 0.00 C ATOM 275 O ASP A 30 5.415 13.754 1.867 1.00 0.00 O ATOM 276 CB ASP A 30 7.350 11.181 2.445 1.00 0.00 C ATOM 277 CG ASP A 30 8.095 12.422 2.960 1.00 0.00 C ATOM 278 OD1 ASP A 30 8.321 13.321 2.168 1.00 0.00 O ATOM 279 OD2 ASP A 30 8.394 12.467 4.142 1.00 0.00 O ATOM 0 H ASP A 30 5.721 9.398 1.892 1.00 0.00 H new ATOM 0 HA ASP A 30 5.461 11.718 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.547 10.333 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.721 10.912 1.456 1.00 0.00 H new ATOM 284 N ILE A 31 5.496 12.324 0.135 1.00 0.00 N ATOM 285 CA ILE A 31 5.253 13.344 -0.888 1.00 0.00 C ATOM 286 C ILE A 31 3.856 13.904 -0.791 1.00 0.00 C ATOM 287 O ILE A 31 3.600 15.006 -1.251 1.00 0.00 O ATOM 288 CB ILE A 31 5.447 12.728 -2.317 1.00 0.00 C ATOM 289 CG1 ILE A 31 5.528 13.857 -3.396 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.275 11.730 -2.682 1.00 0.00 C ATOM 291 CD1 ILE A 31 5.918 13.275 -4.768 1.00 0.00 C ATOM 0 H ILE A 31 5.611 11.380 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 31 5.968 14.150 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 31 6.383 12.170 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.566 14.364 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.260 14.605 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.442 11.322 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.250 10.917 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.324 12.263 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.968 14.078 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.891 12.789 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.171 12.545 -5.079 1.00 0.00 H new ATOM 303 N GLN A 32 2.949 13.119 -0.209 1.00 0.00 N ATOM 304 CA GLN A 32 1.547 13.525 -0.085 1.00 0.00 C ATOM 305 C GLN A 32 1.323 14.443 1.110 1.00 0.00 C ATOM 306 O GLN A 32 0.786 15.551 0.974 1.00 0.00 O ATOM 307 CB GLN A 32 0.651 12.261 0.067 1.00 0.00 C ATOM 308 CG GLN A 32 -0.850 12.653 0.133 1.00 0.00 C ATOM 309 CD GLN A 32 -1.727 11.414 0.288 1.00 0.00 C ATOM 310 OE1 GLN A 32 -1.654 10.495 -0.525 1.00 0.00 O ATOM 311 NE2 GLN A 32 -2.557 11.346 1.293 1.00 0.00 N ATOM 0 H GLN A 32 3.158 12.201 0.183 1.00 0.00 H new ATOM 0 HA GLN A 32 1.282 14.076 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.819 11.588 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.930 11.719 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.017 13.330 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.130 13.191 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.611 12.113 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.152 10.525 1.409 1.00 0.00 H new ATOM 320 N GLU A 33 1.708 13.948 2.290 1.00 0.00 N ATOM 321 CA GLU A 33 1.516 14.685 3.541 1.00 0.00 C ATOM 322 C GLU A 33 2.266 15.984 3.507 1.00 0.00 C ATOM 323 O GLU A 33 1.801 16.970 4.045 1.00 0.00 O ATOM 324 CB GLU A 33 1.990 13.830 4.742 1.00 0.00 C ATOM 325 CG GLU A 33 3.501 13.472 4.602 1.00 0.00 C ATOM 326 CD GLU A 33 3.899 12.395 5.609 1.00 0.00 C ATOM 327 OE1 GLU A 33 3.453 11.274 5.439 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.634 12.704 6.535 1.00 0.00 O ATOM 0 H GLU A 33 2.155 13.038 2.404 1.00 0.00 H new ATOM 0 HA GLU A 33 0.454 14.900 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.825 14.376 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.399 12.916 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.704 13.123 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.107 14.364 4.759 1.00 0.00 H new ATOM 335 N ALA A 34 3.487 15.946 2.950 1.00 0.00 N ATOM 336 CA ALA A 34 4.353 17.111 2.948 1.00 0.00 C ATOM 337 C ALA A 34 3.568 18.352 2.581 1.00 0.00 C ATOM 338 O ALA A 34 3.497 19.233 3.383 1.00 0.00 O ATOM 339 CB ALA A 34 5.498 16.916 1.927 1.00 0.00 C ATOM 0 H ALA A 34 3.885 15.121 2.501 1.00 0.00 H new ATOM 0 HA ALA A 34 4.769 17.232 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.143 17.795 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.081 16.036 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.078 16.780 0.931 1.00 0.00 H new ATOM 345 N LEU A 35 2.942 18.356 1.411 1.00 0.00 N ATOM 346 CA LEU A 35 2.135 19.500 0.957 1.00 0.00 C ATOM 347 C LEU A 35 0.892 19.693 1.827 1.00 0.00 C ATOM 348 O LEU A 35 0.664 20.757 2.387 1.00 0.00 O ATOM 349 CB LEU A 35 1.708 19.244 -0.498 1.00 0.00 C ATOM 350 CG LEU A 35 2.976 18.910 -1.393 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.612 17.848 -2.451 1.00 0.00 C ATOM 352 CD2 LEU A 35 3.526 20.210 -2.051 1.00 0.00 C ATOM 0 H LEU A 35 2.973 17.579 0.751 1.00 0.00 H new ATOM 0 HA LEU A 35 2.736 20.406 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.999 18.417 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.196 20.121 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 35 3.764 18.497 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.488 17.626 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.276 16.939 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.814 18.228 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.396 19.969 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.754 20.655 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.814 20.917 -1.273 1.00 0.00 H new ATOM 364 N ALA A 36 0.052 18.651 1.886 1.00 0.00 N ATOM 365 CA ALA A 36 -1.203 18.725 2.655 1.00 0.00 C ATOM 366 C ALA A 36 -0.916 19.277 4.058 1.00 0.00 C ATOM 367 O ALA A 36 -1.459 20.302 4.471 1.00 0.00 O ATOM 368 CB ALA A 36 -1.826 17.321 2.741 1.00 0.00 C ATOM 0 H ALA A 36 0.212 17.758 1.419 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.906 19.394 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.755 17.369 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.034 16.953 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.131 16.645 3.239 1.00 0.00 H new ATOM 374 N HIS A 37 -0.015 18.589 4.746 1.00 0.00 N ATOM 375 CA HIS A 37 0.439 18.962 6.087 1.00 0.00 C ATOM 376 C HIS A 37 1.499 20.061 5.993 1.00 0.00 C ATOM 377 O HIS A 37 2.315 20.197 6.913 1.00 0.00 O ATOM 378 CB HIS A 37 1.020 17.724 6.843 1.00 0.00 C ATOM 379 CG HIS A 37 1.211 18.073 8.302 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.458 18.122 8.903 1.00 0.00 N ATOM 381 CD2 HIS A 37 0.314 18.456 9.261 1.00 0.00 C ATOM 382 CE1 HIS A 37 2.274 18.525 10.175 1.00 0.00 C ATOM 383 NE2 HIS A 37 0.983 18.741 10.444 1.00 0.00 N ATOM 0 H HIS A 37 0.430 17.744 4.387 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.418 19.335 6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.344 16.874 6.746 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.971 17.427 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.754 18.526 9.119 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.072 18.657 10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.577 19.049 11.328 1.00 0.00 H new ATOM 391 N ALA A 38 1.494 20.863 4.896 1.00 0.00 N ATOM 392 CA ALA A 38 2.482 21.965 4.757 1.00 0.00 C ATOM 393 C ALA A 38 1.814 23.311 4.856 1.00 0.00 C ATOM 394 O ALA A 38 2.210 24.091 5.720 1.00 0.00 O ATOM 395 CB ALA A 38 3.195 21.945 3.367 1.00 0.00 C ATOM 0 H ALA A 38 0.840 20.773 4.119 1.00 0.00 H new ATOM 0 HA ALA A 38 3.200 21.811 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.907 22.768 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.723 20.999 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.453 22.054 2.576 1.00 0.00 H new ATOM 401 N ASP A 39 0.794 23.557 3.963 1.00 0.00 N ATOM 402 CA ASP A 39 0.038 24.851 3.877 1.00 0.00 C ATOM 403 C ASP A 39 0.671 25.919 4.785 1.00 0.00 C ATOM 404 O ASP A 39 0.007 26.515 5.636 1.00 0.00 O ATOM 405 CB ASP A 39 -1.452 24.629 4.239 1.00 0.00 C ATOM 406 CG ASP A 39 -1.565 23.908 5.583 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.774 24.201 6.466 1.00 0.00 O ATOM 408 OD2 ASP A 39 -2.452 23.079 5.717 1.00 0.00 O ATOM 0 H ASP A 39 0.477 22.862 3.286 1.00 0.00 H new ATOM 0 HA ASP A 39 0.092 25.213 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.969 25.587 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.940 24.042 3.461 1.00 0.00 H new ATOM 413 N ALA A 40 2.006 26.074 4.646 1.00 0.00 N ATOM 414 CA ALA A 40 2.769 26.974 5.505 1.00 0.00 C ATOM 415 C ALA A 40 2.271 28.384 5.314 1.00 0.00 C ATOM 416 O ALA A 40 1.951 29.080 6.281 1.00 0.00 O ATOM 417 CB ALA A 40 4.281 26.870 5.176 1.00 0.00 C ATOM 0 H ALA A 40 2.565 25.585 3.947 1.00 0.00 H new ATOM 0 HA ALA A 40 2.632 26.691 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.841 27.545 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.619 25.847 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.446 27.144 4.134 1.00 0.00 H new ATOM 423 N ASN A 41 2.196 28.794 4.042 1.00 0.00 N ATOM 424 CA ASN A 41 1.721 30.135 3.727 1.00 0.00 C ATOM 425 C ASN A 41 0.207 30.190 3.865 1.00 0.00 C ATOM 426 O ASN A 41 -0.353 31.281 3.966 1.00 0.00 O ATOM 427 CB ASN A 41 2.132 30.480 2.278 1.00 0.00 C ATOM 428 CG ASN A 41 3.646 30.355 2.128 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.390 30.704 3.046 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.148 29.868 1.028 1.00 0.00 N ATOM 0 H ASN A 41 2.453 28.227 3.234 1.00 0.00 H new ATOM 0 HA ASN A 41 2.161 30.856 4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.631 29.810 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.815 31.493 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.159 29.775 0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.530 29.580 0.269 1.00 0.00 H new ATOM 437 N ALA A 42 -0.452 29.010 3.888 1.00 0.00 N ATOM 438 CA ALA A 42 -1.921 28.932 4.028 1.00 0.00 C ATOM 439 C ALA A 42 -2.612 30.014 3.182 1.00 0.00 C ATOM 440 O ALA A 42 -3.391 30.821 3.700 1.00 0.00 O ATOM 441 CB ALA A 42 -2.279 29.103 5.518 1.00 0.00 C ATOM 0 H ALA A 42 0.009 28.103 3.812 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.270 27.964 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.361 29.048 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.807 28.310 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.923 30.071 5.869 1.00 0.00 H new ATOM 447 N ASP A 43 -2.301 30.026 1.878 1.00 0.00 N ATOM 448 CA ASP A 43 -2.870 31.020 0.949 1.00 0.00 C ATOM 449 C ASP A 43 -3.991 30.408 0.153 1.00 0.00 C ATOM 450 O ASP A 43 -4.702 31.124 -0.526 1.00 0.00 O ATOM 451 CB ASP A 43 -1.774 31.556 0.000 1.00 0.00 C ATOM 452 CG ASP A 43 -2.335 32.705 -0.858 1.00 0.00 C ATOM 453 OD1 ASP A 43 -2.643 33.739 -0.286 1.00 0.00 O ATOM 454 OD2 ASP A 43 -2.486 32.518 -2.055 1.00 0.00 O ATOM 0 H ASP A 43 -1.661 29.362 1.441 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.267 31.852 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.920 31.907 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.414 30.753 -0.643 1.00 0.00 H new ATOM 459 N GLN A 44 -4.143 29.089 0.259 1.00 0.00 N ATOM 460 CA GLN A 44 -5.186 28.314 -0.436 1.00 0.00 C ATOM 461 C GLN A 44 -4.849 28.172 -1.916 1.00 0.00 C ATOM 462 O GLN A 44 -5.649 27.630 -2.681 1.00 0.00 O ATOM 463 CB GLN A 44 -6.601 29.043 -0.287 1.00 0.00 C ATOM 464 CG GLN A 44 -7.010 29.899 -1.580 1.00 0.00 C ATOM 465 CD GLN A 44 -7.972 31.015 -1.236 1.00 0.00 C ATOM 466 OE1 GLN A 44 -7.551 32.098 -0.824 1.00 0.00 O ATOM 467 NE2 GLN A 44 -9.232 30.807 -1.386 1.00 0.00 N ATOM 0 H GLN A 44 -3.536 28.512 0.841 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.235 27.324 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.370 28.294 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.574 29.700 0.582 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.114 30.320 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.466 29.242 -2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.563 29.905 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.901 31.544 -1.163 1.00 0.00 H new ATOM 476 N HIS A 45 -3.675 28.672 -2.317 1.00 0.00 N ATOM 477 CA HIS A 45 -3.235 28.638 -3.723 1.00 0.00 C ATOM 478 C HIS A 45 -1.873 28.031 -3.748 1.00 0.00 C ATOM 479 O HIS A 45 -1.028 28.354 -2.911 1.00 0.00 O ATOM 480 CB HIS A 45 -3.215 30.091 -4.365 1.00 0.00 C ATOM 481 CG HIS A 45 -4.119 30.146 -5.575 1.00 0.00 C ATOM 482 ND1 HIS A 45 -5.089 31.114 -5.735 1.00 0.00 N ATOM 483 CD2 HIS A 45 -4.218 29.324 -6.667 1.00 0.00 C ATOM 484 CE1 HIS A 45 -5.729 30.849 -6.889 1.00 0.00 C ATOM 485 NE2 HIS A 45 -5.233 29.768 -7.496 1.00 0.00 N ATOM 0 H HIS A 45 -3.005 29.109 -1.684 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.933 28.047 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.539 30.826 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.197 30.355 -4.652 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.597 28.460 -6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.546 31.440 -7.277 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.537 29.358 -8.379 1.00 0.00 H new ATOM 493 N LEU A 46 -1.677 27.132 -4.703 1.00 0.00 N ATOM 494 CA LEU A 46 -0.417 26.440 -4.843 1.00 0.00 C ATOM 495 C LEU A 46 0.502 27.248 -5.752 1.00 0.00 C ATOM 496 O LEU A 46 0.126 27.582 -6.876 1.00 0.00 O ATOM 497 CB LEU A 46 -0.656 25.012 -5.437 1.00 0.00 C ATOM 498 CG LEU A 46 0.209 23.935 -4.711 1.00 0.00 C ATOM 499 CD1 LEU A 46 -0.077 22.531 -5.307 1.00 0.00 C ATOM 500 CD2 LEU A 46 1.735 24.283 -4.813 1.00 0.00 C ATOM 0 H LEU A 46 -2.382 26.869 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 46 0.053 26.332 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.711 24.752 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.417 25.015 -6.500 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.062 23.927 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.532 21.787 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.132 22.289 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.168 22.530 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.318 23.518 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.030 24.321 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.919 25.252 -4.349 1.00 0.00 H new ATOM 512 N ASP A 47 1.705 27.529 -5.260 1.00 0.00 N ATOM 513 CA ASP A 47 2.721 28.268 -6.007 1.00 0.00 C ATOM 514 C ASP A 47 3.869 27.318 -6.328 1.00 0.00 C ATOM 515 O ASP A 47 4.245 26.486 -5.500 1.00 0.00 O ATOM 516 CB ASP A 47 3.210 29.457 -5.163 1.00 0.00 C ATOM 517 CG ASP A 47 3.747 28.976 -3.803 1.00 0.00 C ATOM 518 OD1 ASP A 47 3.054 28.213 -3.153 1.00 0.00 O ATOM 519 OD2 ASP A 47 4.844 29.373 -3.440 1.00 0.00 O ATOM 0 H ASP A 47 2.005 27.249 -4.326 1.00 0.00 H new ATOM 0 HA ASP A 47 2.309 28.658 -6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.993 29.992 -5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.392 30.160 -5.008 1.00 0.00 H new ATOM 524 N PHE A 48 4.398 27.441 -7.545 1.00 0.00 N ATOM 525 CA PHE A 48 5.486 26.597 -8.025 1.00 0.00 C ATOM 526 C PHE A 48 6.606 26.450 -6.994 1.00 0.00 C ATOM 527 O PHE A 48 7.119 25.350 -6.791 1.00 0.00 O ATOM 528 CB PHE A 48 6.088 27.227 -9.305 1.00 0.00 C ATOM 529 CG PHE A 48 7.173 26.283 -9.875 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.778 25.099 -10.527 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.553 26.565 -9.715 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.742 24.215 -11.024 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.513 25.672 -10.216 1.00 0.00 C ATOM 534 CZ PHE A 48 9.107 24.500 -10.871 1.00 0.00 C ATOM 0 H PHE A 48 4.082 28.131 -8.226 1.00 0.00 H new ATOM 0 HA PHE A 48 5.069 25.609 -8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.306 27.391 -10.046 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.520 28.201 -9.077 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.728 24.873 -10.644 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.865 27.466 -9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.434 23.310 -11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.565 25.887 -10.097 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.847 23.815 -11.258 1.00 0.00 H new ATOM 544 N ASP A 49 6.995 27.573 -6.373 1.00 0.00 N ATOM 545 CA ASP A 49 8.080 27.569 -5.394 1.00 0.00 C ATOM 546 C ASP A 49 7.854 26.501 -4.332 1.00 0.00 C ATOM 547 O ASP A 49 8.697 25.634 -4.118 1.00 0.00 O ATOM 548 CB ASP A 49 8.166 28.961 -4.721 1.00 0.00 C ATOM 549 CG ASP A 49 9.383 29.033 -3.789 1.00 0.00 C ATOM 550 OD1 ASP A 49 10.451 28.641 -4.227 1.00 0.00 O ATOM 551 OD2 ASP A 49 9.224 29.447 -2.650 1.00 0.00 O ATOM 0 H ASP A 49 6.574 28.488 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 49 9.013 27.345 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.238 29.736 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.255 29.155 -4.155 1.00 0.00 H new ATOM 556 N GLU A 50 6.695 26.578 -3.676 1.00 0.00 N ATOM 557 CA GLU A 50 6.362 25.622 -2.628 1.00 0.00 C ATOM 558 C GLU A 50 6.451 24.195 -3.159 1.00 0.00 C ATOM 559 O GLU A 50 7.033 23.332 -2.528 1.00 0.00 O ATOM 560 CB GLU A 50 4.926 25.878 -2.087 1.00 0.00 C ATOM 561 CG GLU A 50 4.651 25.039 -0.792 1.00 0.00 C ATOM 562 CD GLU A 50 5.543 25.509 0.371 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.956 26.659 0.358 1.00 0.00 O ATOM 564 OE2 GLU A 50 5.807 24.707 1.250 1.00 0.00 O ATOM 0 H GLU A 50 5.981 27.285 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 50 7.079 25.752 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.800 26.939 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.195 25.620 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.602 25.132 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.835 23.984 -0.992 1.00 0.00 H new ATOM 571 N TRP A 51 5.864 23.970 -4.340 1.00 0.00 N ATOM 572 CA TRP A 51 5.866 22.639 -4.942 1.00 0.00 C ATOM 573 C TRP A 51 7.293 22.158 -5.196 1.00 0.00 C ATOM 574 O TRP A 51 7.720 21.126 -4.680 1.00 0.00 O ATOM 575 CB TRP A 51 5.085 22.679 -6.281 1.00 0.00 C ATOM 576 CG TRP A 51 4.995 21.296 -6.862 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.871 20.755 -7.733 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.010 20.266 -6.578 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.479 19.462 -8.010 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.336 19.114 -7.326 1.00 0.00 C ATOM 581 CE3 TRP A 51 2.878 20.228 -5.756 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.562 17.957 -7.263 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.091 19.066 -5.690 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.432 17.932 -6.446 1.00 0.00 C ATOM 0 H TRP A 51 5.388 24.685 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 51 5.387 21.944 -4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.085 23.080 -6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.584 23.346 -6.984 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.737 21.252 -8.145 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.976 18.838 -8.646 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.609 21.095 -5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.835 17.087 -7.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.218 19.044 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.821 17.043 -6.395 1.00 0.00 H new ATOM 595 N ARG A 52 8.015 22.916 -6.009 1.00 0.00 N ATOM 596 CA ARG A 52 9.375 22.552 -6.377 1.00 0.00 C ATOM 597 C ARG A 52 10.251 22.225 -5.170 1.00 0.00 C ATOM 598 O ARG A 52 10.845 21.168 -5.119 1.00 0.00 O ATOM 599 CB ARG A 52 10.037 23.719 -7.159 1.00 0.00 C ATOM 600 CG ARG A 52 11.520 23.345 -7.631 1.00 0.00 C ATOM 601 CD ARG A 52 12.575 24.096 -6.786 1.00 0.00 C ATOM 602 NE ARG A 52 12.427 25.538 -7.012 1.00 0.00 N ATOM 603 CZ ARG A 52 13.222 26.434 -6.417 1.00 0.00 C ATOM 604 NH1 ARG A 52 14.154 26.030 -5.594 1.00 0.00 N ATOM 605 NH2 ARG A 52 13.061 27.705 -6.652 1.00 0.00 N ATOM 0 H ARG A 52 7.682 23.785 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 52 9.300 21.655 -6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.429 23.966 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.068 24.608 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.674 22.270 -7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.645 23.597 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.445 23.865 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.579 23.772 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 52 11.696 25.867 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.273 25.034 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.762 26.711 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.329 28.017 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.667 28.388 -6.198 1.00 0.00 H new ATOM 619 N GLN A 53 10.304 23.149 -4.215 1.00 0.00 N ATOM 620 CA GLN A 53 11.134 22.981 -3.016 1.00 0.00 C ATOM 621 C GLN A 53 10.648 21.841 -2.138 1.00 0.00 C ATOM 622 O GLN A 53 11.446 21.048 -1.622 1.00 0.00 O ATOM 623 CB GLN A 53 11.120 24.296 -2.205 1.00 0.00 C ATOM 624 CG GLN A 53 11.731 25.450 -3.039 1.00 0.00 C ATOM 625 CD GLN A 53 11.700 26.748 -2.237 1.00 0.00 C ATOM 626 OE1 GLN A 53 12.749 27.294 -1.891 1.00 0.00 O ATOM 627 NE2 GLN A 53 10.551 27.262 -1.908 1.00 0.00 N ATOM 0 H GLN A 53 9.783 24.025 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 53 12.146 22.738 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.097 24.545 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.685 24.167 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.758 25.207 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.173 25.573 -3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.686 26.805 -2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.515 28.122 -1.361 1.00 0.00 H new ATOM 636 N GLU A 54 9.330 21.775 -1.939 1.00 0.00 N ATOM 637 CA GLU A 54 8.761 20.747 -1.071 1.00 0.00 C ATOM 638 C GLU A 54 9.109 19.357 -1.594 1.00 0.00 C ATOM 639 O GLU A 54 9.618 18.519 -0.857 1.00 0.00 O ATOM 640 CB GLU A 54 7.223 20.919 -0.963 1.00 0.00 C ATOM 641 CG GLU A 54 6.612 19.942 0.084 1.00 0.00 C ATOM 642 CD GLU A 54 7.103 20.314 1.489 1.00 0.00 C ATOM 643 OE1 GLU A 54 6.694 21.359 1.967 1.00 0.00 O ATOM 644 OE2 GLU A 54 7.906 19.578 2.040 1.00 0.00 O ATOM 0 H GLU A 54 8.650 22.409 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 54 9.190 20.858 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.989 21.946 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.767 20.742 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.524 19.987 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.897 18.917 -0.152 1.00 0.00 H new ATOM 651 N LEU A 55 8.829 19.134 -2.875 1.00 0.00 N ATOM 652 CA LEU A 55 9.106 17.841 -3.513 1.00 0.00 C ATOM 653 C LEU A 55 10.588 17.606 -3.628 1.00 0.00 C ATOM 654 O LEU A 55 11.043 16.473 -3.599 1.00 0.00 O ATOM 655 CB LEU A 55 8.484 17.785 -4.931 1.00 0.00 C ATOM 656 CG LEU A 55 6.942 17.412 -4.894 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.092 18.653 -4.604 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.520 16.747 -6.233 1.00 0.00 C ATOM 0 H LEU A 55 8.411 19.828 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 55 8.662 17.067 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.611 18.751 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.020 17.050 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 55 6.774 16.698 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.038 18.375 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.376 19.071 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.256 19.397 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.460 16.495 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.700 17.439 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.103 15.839 -6.388 1.00 0.00 H new ATOM 670 N LYS A 56 11.342 18.662 -3.836 1.00 0.00 N ATOM 671 CA LYS A 56 12.775 18.510 -4.021 1.00 0.00 C ATOM 672 C LYS A 56 13.415 17.714 -2.871 1.00 0.00 C ATOM 673 O LYS A 56 14.190 16.778 -3.107 1.00 0.00 O ATOM 674 CB LYS A 56 13.440 19.899 -4.088 1.00 0.00 C ATOM 675 CG LYS A 56 14.953 19.771 -4.390 1.00 0.00 C ATOM 676 CD LYS A 56 15.607 21.165 -4.469 1.00 0.00 C ATOM 677 CE LYS A 56 17.109 21.017 -4.771 1.00 0.00 C ATOM 678 NZ LYS A 56 17.710 22.363 -4.843 1.00 0.00 N ATOM 0 H LYS A 56 10.999 19.621 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 56 12.930 17.964 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.960 20.500 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.296 20.422 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.436 19.179 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.099 19.241 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.127 21.759 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.466 21.697 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.595 20.427 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.255 20.487 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.726 22.279 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.249 22.909 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.578 22.851 -3.934 1.00 0.00 H new ATOM 692 N CYS A 57 13.083 18.094 -1.633 1.00 0.00 N ATOM 693 CA CYS A 57 13.649 17.440 -0.458 1.00 0.00 C ATOM 694 C CYS A 57 13.305 15.955 -0.409 1.00 0.00 C ATOM 695 O CYS A 57 13.922 15.199 0.341 1.00 0.00 O ATOM 696 CB CYS A 57 13.127 18.139 0.815 1.00 0.00 C ATOM 697 SG CYS A 57 13.963 17.452 2.267 1.00 0.00 S ATOM 0 H CYS A 57 12.428 18.848 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 57 14.734 17.523 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.306 19.212 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.049 18.000 0.903 1.00 0.00 H new ATOM 0 HG CYS A 57 14.303 16.220 2.030 1.00 0.00 H new ATOM 703 N ARG A 58 12.308 15.538 -1.209 1.00 0.00 N ATOM 704 CA ARG A 58 11.872 14.126 -1.239 1.00 0.00 C ATOM 705 C ARG A 58 12.837 13.292 -2.063 1.00 0.00 C ATOM 706 O ARG A 58 12.510 12.169 -2.459 1.00 0.00 O ATOM 707 CB ARG A 58 10.392 14.011 -1.788 1.00 0.00 C ATOM 708 CG ARG A 58 9.363 14.019 -0.624 1.00 0.00 C ATOM 709 CD ARG A 58 9.488 15.319 0.245 1.00 0.00 C ATOM 710 NE ARG A 58 10.390 15.095 1.392 1.00 0.00 N ATOM 711 CZ ARG A 58 10.524 16.003 2.369 1.00 0.00 C ATOM 712 NH1 ARG A 58 9.856 17.128 2.307 1.00 0.00 N ATOM 713 NH2 ARG A 58 11.316 15.768 3.375 1.00 0.00 N ATOM 0 H ARG A 58 11.791 16.151 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 58 11.877 13.736 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.186 14.840 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.285 13.093 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.354 13.946 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.518 13.143 0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.867 16.137 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.503 15.619 0.603 1.00 0.00 H new ATOM 0 HE ARG A 58 10.925 14.228 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.237 17.311 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.955 17.822 3.048 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.836 14.892 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.417 16.460 4.117 1.00 0.00 H new ATOM 727 N GLY A 59 14.040 13.813 -2.296 1.00 0.00 N ATOM 728 CA GLY A 59 15.050 13.072 -3.050 1.00 0.00 C ATOM 729 C GLY A 59 14.798 13.185 -4.535 1.00 0.00 C ATOM 730 O GLY A 59 15.371 12.429 -5.317 1.00 0.00 O ATOM 0 H GLY A 59 14.338 14.735 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.042 13.457 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.036 12.023 -2.753 1.00 0.00 H new ATOM 734 N HIS A 60 13.930 14.136 -4.932 1.00 0.00 N ATOM 735 CA HIS A 60 13.594 14.361 -6.356 1.00 0.00 C ATOM 736 C HIS A 60 14.310 15.614 -6.839 1.00 0.00 C ATOM 737 O HIS A 60 14.568 16.524 -6.056 1.00 0.00 O ATOM 738 CB HIS A 60 12.060 14.532 -6.511 1.00 0.00 C ATOM 739 CG HIS A 60 11.356 13.287 -6.032 1.00 0.00 C ATOM 740 ND1 HIS A 60 11.976 12.347 -5.218 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.090 12.816 -6.250 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.089 11.368 -4.982 1.00 0.00 C ATOM 743 NE2 HIS A 60 9.923 11.604 -5.587 1.00 0.00 N ATOM 0 H HIS A 60 13.447 14.762 -4.288 1.00 0.00 H new ATOM 0 HA HIS A 60 13.913 13.506 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 60 11.721 15.395 -5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.810 14.724 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.336 13.309 -6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.293 10.497 -4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.087 11.020 -5.568 1.00 0.00 H new ATOM 751 N ALA A 61 14.634 15.647 -8.134 1.00 0.00 N ATOM 752 CA ALA A 61 15.321 16.786 -8.753 1.00 0.00 C ATOM 753 C ALA A 61 14.284 17.706 -9.383 1.00 0.00 C ATOM 754 O ALA A 61 13.160 17.289 -9.656 1.00 0.00 O ATOM 755 CB ALA A 61 16.306 16.274 -9.826 1.00 0.00 C ATOM 0 H ALA A 61 14.429 14.887 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 61 15.882 17.339 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.816 17.121 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.041 15.616 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.758 15.723 -10.590 1.00 0.00 H new ATOM 761 N ASP A 62 14.673 18.958 -9.620 1.00 0.00 N ATOM 762 CA ASP A 62 13.778 19.955 -10.223 1.00 0.00 C ATOM 763 C ASP A 62 13.297 19.504 -11.604 1.00 0.00 C ATOM 764 O ASP A 62 12.123 19.652 -11.946 1.00 0.00 O ATOM 765 CB ASP A 62 14.530 21.302 -10.342 1.00 0.00 C ATOM 766 CG ASP A 62 15.015 21.762 -8.963 1.00 0.00 C ATOM 767 OD1 ASP A 62 14.297 21.547 -7.998 1.00 0.00 O ATOM 768 OD2 ASP A 62 16.098 22.324 -8.892 1.00 0.00 O ATOM 0 H ASP A 62 15.605 19.311 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 62 12.902 20.070 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.379 21.194 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.873 22.056 -10.775 1.00 0.00 H new ATOM 773 N ALA A 63 14.230 18.969 -12.391 1.00 0.00 N ATOM 774 CA ALA A 63 13.930 18.511 -13.755 1.00 0.00 C ATOM 775 C ALA A 63 12.872 17.403 -13.770 1.00 0.00 C ATOM 776 O ALA A 63 11.915 17.462 -14.538 1.00 0.00 O ATOM 777 CB ALA A 63 15.217 17.979 -14.429 1.00 0.00 C ATOM 0 H ALA A 63 15.202 18.840 -12.111 1.00 0.00 H new ATOM 0 HA ALA A 63 13.538 19.368 -14.303 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.986 17.642 -15.439 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.960 18.775 -14.473 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.613 17.145 -13.850 1.00 0.00 H new ATOM 783 N ASP A 64 13.066 16.382 -12.926 1.00 0.00 N ATOM 784 CA ASP A 64 12.149 15.235 -12.867 1.00 0.00 C ATOM 785 C ASP A 64 10.736 15.663 -12.504 1.00 0.00 C ATOM 786 O ASP A 64 9.763 15.140 -13.051 1.00 0.00 O ATOM 787 CB ASP A 64 12.662 14.217 -11.822 1.00 0.00 C ATOM 788 CG ASP A 64 14.082 13.762 -12.169 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.383 13.656 -13.347 1.00 0.00 O ATOM 790 OD2 ASP A 64 14.844 13.514 -11.249 1.00 0.00 O ATOM 0 H ASP A 64 13.849 16.326 -12.275 1.00 0.00 H new ATOM 0 HA ASP A 64 12.119 14.778 -13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.651 14.668 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.996 13.355 -11.788 1.00 0.00 H new ATOM 795 N ILE A 65 10.625 16.615 -11.574 1.00 0.00 N ATOM 796 CA ILE A 65 9.312 17.100 -11.136 1.00 0.00 C ATOM 797 C ILE A 65 8.544 17.689 -12.302 1.00 0.00 C ATOM 798 O ILE A 65 7.317 17.783 -12.250 1.00 0.00 O ATOM 799 CB ILE A 65 9.496 18.168 -10.017 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.071 17.479 -8.719 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.129 18.883 -9.689 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.568 18.530 -7.709 1.00 0.00 C ATOM 0 H ILE A 65 11.418 17.062 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 65 8.740 16.260 -10.741 1.00 0.00 H new ATOM 0 HB ILE A 65 10.197 18.924 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.299 16.863 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.891 16.813 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.285 19.624 -8.905 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.752 19.377 -10.585 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.404 18.143 -9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.959 18.028 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.357 19.128 -8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.740 19.179 -7.422 1.00 0.00 H new ATOM 814 N GLU A 66 9.263 18.121 -13.336 1.00 0.00 N ATOM 815 CA GLU A 66 8.619 18.740 -14.489 1.00 0.00 C ATOM 816 C GLU A 66 7.592 17.790 -15.115 1.00 0.00 C ATOM 817 O GLU A 66 6.542 18.222 -15.592 1.00 0.00 O ATOM 818 CB GLU A 66 9.688 19.125 -15.552 1.00 0.00 C ATOM 819 CG GLU A 66 9.084 20.089 -16.624 1.00 0.00 C ATOM 820 CD GLU A 66 8.734 21.457 -16.007 1.00 0.00 C ATOM 821 OE1 GLU A 66 9.381 21.838 -15.043 1.00 0.00 O ATOM 822 OE2 GLU A 66 7.802 22.079 -16.486 1.00 0.00 O ATOM 0 H GLU A 66 10.279 18.055 -13.398 1.00 0.00 H new ATOM 0 HA GLU A 66 8.102 19.638 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.537 19.603 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.065 18.225 -16.037 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.797 20.225 -17.437 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.189 19.642 -17.056 1.00 0.00 H new ATOM 829 N ALA A 67 7.914 16.495 -15.090 1.00 0.00 N ATOM 830 CA ALA A 67 7.034 15.466 -15.647 1.00 0.00 C ATOM 831 C ALA A 67 5.839 15.244 -14.728 1.00 0.00 C ATOM 832 O ALA A 67 4.709 15.077 -15.187 1.00 0.00 O ATOM 833 CB ALA A 67 7.822 14.147 -15.816 1.00 0.00 C ATOM 0 H ALA A 67 8.780 16.134 -14.689 1.00 0.00 H new ATOM 0 HA ALA A 67 6.670 15.796 -16.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.166 13.382 -16.231 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.662 14.309 -16.491 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.194 13.819 -14.846 1.00 0.00 H new ATOM 839 N VAL A 68 6.111 15.238 -13.415 1.00 0.00 N ATOM 840 CA VAL A 68 5.068 15.023 -12.402 1.00 0.00 C ATOM 841 C VAL A 68 4.091 16.187 -12.402 1.00 0.00 C ATOM 842 O VAL A 68 2.970 16.068 -11.935 1.00 0.00 O ATOM 843 CB VAL A 68 5.682 14.842 -10.971 1.00 0.00 C ATOM 844 CG1 VAL A 68 4.578 14.409 -9.946 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.807 13.770 -11.033 1.00 0.00 C ATOM 0 H VAL A 68 7.045 15.380 -13.030 1.00 0.00 H new ATOM 0 HA VAL A 68 4.540 14.105 -12.660 1.00 0.00 H new ATOM 0 HB VAL A 68 6.099 15.792 -10.637 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.025 14.289 -8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.802 15.173 -9.902 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.138 13.463 -10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.239 13.638 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.389 12.823 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.582 14.096 -11.726 1.00 0.00 H new ATOM 855 N PHE A 69 4.543 17.335 -12.897 1.00 0.00 N ATOM 856 CA PHE A 69 3.714 18.539 -12.916 1.00 0.00 C ATOM 857 C PHE A 69 2.454 18.341 -13.766 1.00 0.00 C ATOM 858 O PHE A 69 1.335 18.355 -13.256 1.00 0.00 O ATOM 859 CB PHE A 69 4.555 19.726 -13.454 1.00 0.00 C ATOM 860 CG PHE A 69 3.916 21.038 -12.975 1.00 0.00 C ATOM 861 CD1 PHE A 69 4.263 21.557 -11.711 1.00 0.00 C ATOM 862 CD2 PHE A 69 2.960 21.702 -13.767 1.00 0.00 C ATOM 863 CE1 PHE A 69 3.668 22.728 -11.247 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.369 22.875 -13.299 1.00 0.00 C ATOM 865 CZ PHE A 69 2.724 23.390 -12.035 1.00 0.00 C ATOM 0 H PHE A 69 5.476 17.459 -13.290 1.00 0.00 H new ATOM 0 HA PHE A 69 3.385 18.754 -11.899 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.582 19.654 -13.097 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.593 19.700 -14.543 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.992 21.045 -11.101 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.686 21.305 -14.733 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.937 23.124 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.638 23.390 -13.905 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.265 24.299 -11.675 1.00 0.00 H new ATOM 875 N ALA A 70 2.666 18.131 -15.067 1.00 0.00 N ATOM 876 CA ALA A 70 1.589 17.907 -16.034 1.00 0.00 C ATOM 877 C ALA A 70 0.693 16.761 -15.600 1.00 0.00 C ATOM 878 O ALA A 70 -0.400 16.591 -16.140 1.00 0.00 O ATOM 879 CB ALA A 70 2.172 17.605 -17.437 1.00 0.00 C ATOM 0 H ALA A 70 3.597 18.111 -15.482 1.00 0.00 H new ATOM 0 HA ALA A 70 0.993 18.818 -16.080 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.357 17.441 -18.142 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.776 18.449 -17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.794 16.711 -17.388 1.00 0.00 H new ATOM 885 N LYS A 71 1.193 15.942 -14.660 1.00 0.00 N ATOM 886 CA LYS A 71 0.431 14.769 -14.219 1.00 0.00 C ATOM 887 C LYS A 71 -0.989 15.178 -13.801 1.00 0.00 C ATOM 888 O LYS A 71 -1.964 14.682 -14.364 1.00 0.00 O ATOM 889 CB LYS A 71 1.154 14.126 -13.013 1.00 0.00 C ATOM 890 CG LYS A 71 0.590 12.718 -12.714 1.00 0.00 C ATOM 891 CD LYS A 71 1.349 12.067 -11.524 1.00 0.00 C ATOM 892 CE LYS A 71 0.767 10.667 -11.248 1.00 0.00 C ATOM 893 NZ LYS A 71 0.918 9.845 -12.481 1.00 0.00 N ATOM 0 H LYS A 71 2.096 16.067 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 71 0.363 14.057 -15.042 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.222 14.057 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.039 14.761 -12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.472 12.788 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.681 12.088 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.412 11.992 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.259 12.692 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.287 10.198 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.284 10.741 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.890 8.836 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.142 10.060 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.828 10.064 -12.935 1.00 0.00 H new ATOM 907 N TYR A 72 -1.092 16.108 -12.828 1.00 0.00 N ATOM 908 CA TYR A 72 -2.399 16.610 -12.357 1.00 0.00 C ATOM 909 C TYR A 72 -2.677 17.936 -13.035 1.00 0.00 C ATOM 910 O TYR A 72 -3.814 18.228 -13.367 1.00 0.00 O ATOM 911 CB TYR A 72 -2.399 16.803 -10.825 1.00 0.00 C ATOM 912 CG TYR A 72 -2.064 15.461 -10.159 1.00 0.00 C ATOM 913 CD1 TYR A 72 -3.011 14.410 -10.193 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.819 15.254 -9.518 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.712 13.185 -9.594 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.539 14.023 -8.926 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.482 12.996 -8.965 1.00 0.00 C ATOM 918 OH TYR A 72 -1.192 11.793 -8.384 1.00 0.00 O ATOM 0 H TYR A 72 -0.290 16.524 -12.356 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.172 15.882 -12.606 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.668 17.559 -10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.373 17.159 -10.489 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.963 14.555 -10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.087 16.048 -9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.434 12.383 -9.618 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.410 13.864 -8.436 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.314 11.484 -8.692 1.00 0.00 H new ATOM 928 N ASP A 73 -1.623 18.764 -13.139 1.00 0.00 N ATOM 929 CA ASP A 73 -1.743 20.111 -13.727 1.00 0.00 C ATOM 930 C ASP A 73 -2.158 20.012 -15.197 1.00 0.00 C ATOM 931 O ASP A 73 -1.408 20.392 -16.104 1.00 0.00 O ATOM 932 CB ASP A 73 -0.405 20.884 -13.616 1.00 0.00 C ATOM 933 CG ASP A 73 0.063 20.918 -12.170 1.00 0.00 C ATOM 934 OD1 ASP A 73 0.183 19.858 -11.581 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.289 22.000 -11.670 1.00 0.00 O ATOM 0 H ASP A 73 -0.682 18.526 -12.825 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.507 20.654 -13.171 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.351 20.408 -14.240 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.532 21.900 -13.989 1.00 0.00 H new ATOM 940 N VAL A 74 -3.351 19.454 -15.433 1.00 0.00 N ATOM 941 CA VAL A 74 -3.858 19.265 -16.797 1.00 0.00 C ATOM 942 C VAL A 74 -3.958 20.624 -17.458 1.00 0.00 C ATOM 943 O VAL A 74 -3.534 20.801 -18.604 1.00 0.00 O ATOM 944 CB VAL A 74 -5.253 18.561 -16.766 1.00 0.00 C ATOM 945 CG1 VAL A 74 -5.926 18.576 -18.187 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.101 17.085 -16.280 1.00 0.00 C ATOM 0 H VAL A 74 -3.981 19.127 -14.701 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.180 18.628 -17.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.889 19.111 -16.073 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.895 18.080 -18.136 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.063 19.607 -18.514 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.287 18.052 -18.898 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.080 16.605 -16.263 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.443 16.544 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.674 17.074 -15.277 1.00 0.00 H new ATOM 956 N ASP A 75 -4.570 21.573 -16.742 1.00 0.00 N ATOM 957 CA ASP A 75 -4.780 22.901 -17.297 1.00 0.00 C ATOM 958 C ASP A 75 -3.423 23.554 -17.466 1.00 0.00 C ATOM 959 O ASP A 75 -3.310 24.557 -18.173 1.00 0.00 O ATOM 960 CB ASP A 75 -5.660 23.739 -16.332 1.00 0.00 C ATOM 961 CG ASP A 75 -7.032 23.082 -16.163 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.578 22.645 -17.162 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.512 23.020 -15.042 1.00 0.00 O ATOM 0 H ASP A 75 -4.921 21.444 -15.793 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.290 22.839 -18.259 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.169 23.826 -15.363 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.778 24.750 -16.721 1.00 0.00 H new ATOM 968 N GLY A 76 -2.372 22.961 -16.860 1.00 0.00 N ATOM 969 CA GLY A 76 -1.011 23.463 -16.998 1.00 0.00 C ATOM 970 C GLY A 76 -0.916 24.955 -16.791 1.00 0.00 C ATOM 971 O GLY A 76 0.064 25.582 -17.184 1.00 0.00 O ATOM 0 H GLY A 76 -2.453 22.132 -16.271 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.367 22.959 -16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.635 23.213 -17.990 1.00 0.00 H new ATOM 975 N ASP A 77 -1.945 25.523 -16.152 1.00 0.00 N ATOM 976 CA ASP A 77 -1.998 26.952 -15.867 1.00 0.00 C ATOM 977 C ASP A 77 -0.965 27.310 -14.810 1.00 0.00 C ATOM 978 O ASP A 77 -1.028 28.388 -14.234 1.00 0.00 O ATOM 979 CB ASP A 77 -3.422 27.322 -15.363 1.00 0.00 C ATOM 980 CG ASP A 77 -3.838 26.450 -14.173 1.00 0.00 C ATOM 981 OD1 ASP A 77 -3.156 25.474 -13.885 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.840 26.774 -13.554 1.00 0.00 O ATOM 0 H ASP A 77 -2.758 25.004 -15.821 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.777 27.511 -16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.445 28.372 -15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.140 27.200 -16.174 1.00 0.00 H new ATOM 987 N ARG A 78 -0.013 26.391 -14.557 1.00 0.00 N ATOM 988 CA ARG A 78 1.046 26.596 -13.574 1.00 0.00 C ATOM 989 C ARG A 78 0.485 26.953 -12.207 1.00 0.00 C ATOM 990 O ARG A 78 1.224 27.384 -11.321 1.00 0.00 O ATOM 991 CB ARG A 78 1.997 27.706 -14.080 1.00 0.00 C ATOM 992 CG ARG A 78 2.628 27.283 -15.437 1.00 0.00 C ATOM 993 CD ARG A 78 3.575 28.382 -15.941 1.00 0.00 C ATOM 994 NE ARG A 78 2.812 29.616 -16.182 1.00 0.00 N ATOM 995 CZ ARG A 78 3.411 30.755 -16.550 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.711 30.786 -16.692 1.00 0.00 N ATOM 997 NH2 ARG A 78 2.705 31.831 -16.757 1.00 0.00 N ATOM 0 H ARG A 78 0.036 25.490 -15.032 1.00 0.00 H new ATOM 0 HA ARG A 78 1.597 25.663 -13.457 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.449 28.640 -14.199 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.781 27.888 -13.345 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.174 26.347 -15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.843 27.102 -16.172 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.360 28.565 -15.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.066 28.060 -16.859 1.00 0.00 H new ATOM 0 HE ARG A 78 1.799 29.604 -16.066 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.263 29.945 -16.523 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.173 31.651 -16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.692 31.807 -16.639 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.165 32.697 -17.037 1.00 0.00 H new ATOM 1011 N VAL A 79 -0.840 26.819 -12.062 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.537 27.162 -10.820 1.00 0.00 C ATOM 1013 C VAL A 79 -2.748 26.236 -10.603 1.00 0.00 C ATOM 1014 O VAL A 79 -3.557 26.037 -11.492 1.00 0.00 O ATOM 1015 CB VAL A 79 -2.027 28.645 -10.889 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -2.773 29.038 -9.573 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -0.827 29.618 -11.122 1.00 0.00 C ATOM 0 H VAL A 79 -1.454 26.472 -12.799 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.845 27.037 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.716 28.730 -11.729 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.107 30.074 -9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.636 28.387 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.097 28.928 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.193 30.644 -11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.116 29.522 -10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.333 29.368 -12.061 1.00 0.00 H new ATOM 1027 N LEU A 80 -2.869 25.714 -9.401 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.966 24.846 -8.999 1.00 0.00 C ATOM 1029 C LEU A 80 -4.310 25.238 -7.564 1.00 0.00 C ATOM 1030 O LEU A 80 -3.413 25.557 -6.793 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.573 23.355 -9.141 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.112 23.079 -8.616 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.899 21.545 -8.463 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -0.984 23.690 -9.559 1.00 0.00 C ATOM 0 H LEU A 80 -2.194 25.883 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.840 24.969 -9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.280 22.739 -8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.645 23.059 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.017 23.577 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.889 21.352 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.622 21.146 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.036 21.060 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.002 23.466 -9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.065 23.252 -10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.112 24.770 -9.626 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.590 25.250 -7.221 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.032 25.631 -5.876 1.00 0.00 C ATOM 1048 C ASP A 81 -5.925 24.444 -4.922 1.00 0.00 C ATOM 1049 O ASP A 81 -5.663 23.313 -5.333 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.486 26.139 -5.980 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.543 27.332 -6.936 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.227 28.423 -6.500 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -7.894 27.132 -8.091 1.00 0.00 O ATOM 0 H ASP A 81 -6.349 25.000 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.396 26.420 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.136 25.341 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.852 26.431 -4.995 1.00 0.00 H new ATOM 1058 N ALA A 82 -6.159 24.732 -3.644 1.00 0.00 N ATOM 1059 CA ALA A 82 -6.135 23.736 -2.560 1.00 0.00 C ATOM 1060 C ALA A 82 -7.068 22.564 -2.863 1.00 0.00 C ATOM 1061 O ALA A 82 -7.006 21.533 -2.211 1.00 0.00 O ATOM 1062 CB ALA A 82 -6.547 24.387 -1.219 1.00 0.00 C ATOM 0 H ALA A 82 -6.374 25.675 -3.321 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.115 23.359 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.524 23.637 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.853 25.191 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.555 24.792 -1.306 1.00 0.00 H new ATOM 1068 N GLU A 83 -7.955 22.752 -3.835 1.00 0.00 N ATOM 1069 CA GLU A 83 -8.921 21.713 -4.208 1.00 0.00 C ATOM 1070 C GLU A 83 -8.220 20.515 -4.842 1.00 0.00 C ATOM 1071 O GLU A 83 -8.610 19.361 -4.637 1.00 0.00 O ATOM 1072 CB GLU A 83 -9.945 22.327 -5.206 1.00 0.00 C ATOM 1073 CG GLU A 83 -9.307 22.583 -6.626 1.00 0.00 C ATOM 1074 CD GLU A 83 -10.179 23.530 -7.460 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.390 23.439 -7.345 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -9.625 24.334 -8.196 1.00 0.00 O ATOM 0 H GLU A 83 -8.029 23.611 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.434 21.359 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.798 21.657 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.324 23.267 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.311 23.009 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.189 21.635 -7.151 1.00 0.00 H new ATOM 1083 N GLU A 84 -7.202 20.808 -5.665 1.00 0.00 N ATOM 1084 CA GLU A 84 -6.477 19.755 -6.383 1.00 0.00 C ATOM 1085 C GLU A 84 -5.691 18.889 -5.409 1.00 0.00 C ATOM 1086 O GLU A 84 -5.422 17.721 -5.683 1.00 0.00 O ATOM 1087 CB GLU A 84 -5.522 20.382 -7.433 1.00 0.00 C ATOM 1088 CG GLU A 84 -4.884 19.289 -8.358 1.00 0.00 C ATOM 1089 CD GLU A 84 -5.966 18.575 -9.186 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.944 19.224 -9.527 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -5.826 17.386 -9.422 1.00 0.00 O ATOM 0 H GLU A 84 -6.867 21.754 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.202 19.125 -6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.071 21.100 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.732 20.934 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.155 19.750 -9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.345 18.562 -7.751 1.00 0.00 H new ATOM 1098 N GLN A 85 -5.333 19.471 -4.261 1.00 0.00 N ATOM 1099 CA GLN A 85 -4.568 18.745 -3.233 1.00 0.00 C ATOM 1100 C GLN A 85 -5.418 17.620 -2.687 1.00 0.00 C ATOM 1101 O GLN A 85 -4.938 16.503 -2.483 1.00 0.00 O ATOM 1102 CB GLN A 85 -4.123 19.732 -2.108 1.00 0.00 C ATOM 1103 CG GLN A 85 -2.861 20.529 -2.545 1.00 0.00 C ATOM 1104 CD GLN A 85 -3.088 21.188 -3.908 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -3.055 20.507 -4.934 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -3.323 22.462 -3.986 1.00 0.00 N ATOM 0 H GLN A 85 -5.557 20.436 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.666 18.314 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.935 20.423 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.911 19.178 -1.194 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.629 21.291 -1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.001 19.861 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.351 23.028 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.480 22.897 -4.895 1.00 0.00 H new ATOM 1115 N MET A 86 -6.694 17.911 -2.439 1.00 0.00 N ATOM 1116 CA MET A 86 -7.597 16.893 -1.912 1.00 0.00 C ATOM 1117 C MET A 86 -7.656 15.730 -2.895 1.00 0.00 C ATOM 1118 O MET A 86 -7.532 14.558 -2.513 1.00 0.00 O ATOM 1119 CB MET A 86 -9.010 17.492 -1.701 1.00 0.00 C ATOM 1120 CG MET A 86 -9.934 16.497 -0.938 1.00 0.00 C ATOM 1121 SD MET A 86 -9.353 16.329 0.775 1.00 0.00 S ATOM 1122 CE MET A 86 -10.644 15.218 1.333 1.00 0.00 C ATOM 0 H MET A 86 -7.119 18.826 -2.591 1.00 0.00 H new ATOM 0 HA MET A 86 -7.230 16.538 -0.949 1.00 0.00 H new ATOM 0 HB2 MET A 86 -8.933 18.424 -1.141 1.00 0.00 H new ATOM 0 HB3 MET A 86 -9.453 17.736 -2.667 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.963 16.856 -0.951 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.929 15.526 -1.433 1.00 0.00 H new ATOM 0 HE1 MET A 86 -10.485 14.974 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.615 15.700 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 86 -10.618 14.304 0.740 1.00 0.00 H new ATOM 1132 N LYS A 87 -7.835 16.075 -4.175 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.905 15.067 -5.227 1.00 0.00 C ATOM 1134 C LYS A 87 -6.574 14.328 -5.326 1.00 0.00 C ATOM 1135 O LYS A 87 -6.538 13.122 -5.553 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.237 15.734 -6.583 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.481 14.652 -7.676 1.00 0.00 C ATOM 1138 CD LYS A 87 -8.861 15.309 -9.025 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.128 14.212 -10.080 1.00 0.00 C ATOM 1140 NZ LYS A 87 -7.902 13.378 -10.231 1.00 0.00 N ATOM 0 H LYS A 87 -7.933 17.037 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.693 14.355 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.122 16.361 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.418 16.386 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.583 14.046 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.277 13.979 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.747 15.931 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.057 15.963 -9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.970 13.592 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.396 14.665 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.942 12.861 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.062 13.991 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.845 12.699 -9.445 1.00 0.00 H new ATOM 1154 N MET A 88 -5.476 15.077 -5.178 1.00 0.00 N ATOM 1155 CA MET A 88 -4.140 14.487 -5.267 1.00 0.00 C ATOM 1156 C MET A 88 -4.036 13.326 -4.276 1.00 0.00 C ATOM 1157 O MET A 88 -3.787 12.197 -4.665 1.00 0.00 O ATOM 1158 CB MET A 88 -3.052 15.549 -4.961 1.00 0.00 C ATOM 1159 CG MET A 88 -1.638 14.954 -5.163 1.00 0.00 C ATOM 1160 SD MET A 88 -0.388 16.192 -4.747 1.00 0.00 S ATOM 1161 CE MET A 88 1.009 15.047 -4.592 1.00 0.00 C ATOM 0 H MET A 88 -5.487 16.081 -4.998 1.00 0.00 H new ATOM 0 HA MET A 88 -3.979 14.119 -6.280 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.186 16.412 -5.613 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.160 15.903 -3.936 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.512 14.071 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.513 14.631 -6.197 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.909 15.604 -4.333 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.797 14.318 -3.810 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.162 14.530 -5.539 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.223 13.632 -2.991 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.141 12.614 -1.939 1.00 0.00 C ATOM 1173 C ALA A 89 -4.914 11.354 -2.324 1.00 0.00 C ATOM 1174 O ALA A 89 -4.411 10.241 -2.190 1.00 0.00 O ATOM 1175 CB ALA A 89 -4.692 13.181 -0.613 1.00 0.00 C ATOM 0 H ALA A 89 -4.431 14.572 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.093 12.344 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.628 12.419 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.105 14.051 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.733 13.475 -0.748 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.126 11.559 -2.837 1.00 0.00 N ATOM 1182 CA HIS A 90 -6.978 10.445 -3.271 1.00 0.00 C ATOM 1183 C HIS A 90 -6.289 9.622 -4.378 1.00 0.00 C ATOM 1184 O HIS A 90 -6.525 8.423 -4.509 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.340 10.993 -3.773 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.281 9.852 -4.056 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.090 9.314 -3.074 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -9.507 9.112 -5.186 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.762 8.291 -3.624 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.446 8.124 -4.912 1.00 0.00 N ATOM 0 H HIS A 90 -6.542 12.482 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.148 9.785 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.773 11.655 -3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.192 11.586 -4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -9.030 9.271 -6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -11.472 7.677 -3.090 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -10.814 7.423 -5.555 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.452 10.297 -5.176 1.00 0.00 N ATOM 1199 CA ASP A 91 -4.729 9.639 -6.280 1.00 0.00 C ATOM 1200 C ASP A 91 -3.557 8.824 -5.739 1.00 0.00 C ATOM 1201 O ASP A 91 -3.397 7.649 -6.070 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.230 10.696 -7.302 1.00 0.00 C ATOM 1203 CG ASP A 91 -5.417 11.542 -7.779 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -6.475 10.970 -7.991 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -5.258 12.742 -7.926 1.00 0.00 O ATOM 0 H ASP A 91 -5.257 11.294 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.414 8.961 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.475 11.334 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.756 10.202 -8.151 1.00 0.00 H new ATOM 1210 N LEU A 92 -2.730 9.464 -4.902 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.552 8.807 -4.314 1.00 0.00 C ATOM 1212 C LEU A 92 -1.954 7.658 -3.437 1.00 0.00 C ATOM 1213 O LEU A 92 -1.326 6.600 -3.460 1.00 0.00 O ATOM 1214 CB LEU A 92 -0.700 9.851 -3.521 1.00 0.00 C ATOM 1215 CG LEU A 92 0.275 10.613 -4.489 1.00 0.00 C ATOM 1216 CD1 LEU A 92 1.393 9.648 -5.075 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.545 11.286 -5.645 1.00 0.00 C ATOM 0 H LEU A 92 -2.854 10.435 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.942 8.401 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.358 10.563 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.128 9.347 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 92 0.788 11.387 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.048 10.211 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.979 9.231 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.920 8.839 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.135 11.813 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.082 10.520 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.258 11.993 -5.221 1.00 0.00 H new ATOM 1229 N GLU A 93 -2.995 7.874 -2.659 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.488 6.849 -1.750 1.00 0.00 C ATOM 1231 C GLU A 93 -3.679 5.525 -2.501 1.00 0.00 C ATOM 1232 O GLU A 93 -3.532 4.448 -1.931 1.00 0.00 O ATOM 1233 CB GLU A 93 -4.835 7.300 -1.126 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.274 6.337 0.018 1.00 0.00 C ATOM 1235 CD GLU A 93 -4.294 6.399 1.204 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -3.638 7.421 1.362 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -4.210 5.424 1.926 1.00 0.00 O ATOM 0 H GLU A 93 -3.519 8.749 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.757 6.702 -0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.737 8.313 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.605 7.329 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.276 6.602 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.326 5.317 -0.362 1.00 0.00 H new ATOM 1244 N GLY A 94 -3.999 5.637 -3.795 1.00 0.00 N ATOM 1245 CA GLY A 94 -4.212 4.470 -4.649 1.00 0.00 C ATOM 1246 C GLY A 94 -2.934 3.657 -4.796 1.00 0.00 C ATOM 1247 O GLY A 94 -2.972 2.439 -4.939 1.00 0.00 O ATOM 0 H GLY A 94 -4.116 6.530 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.998 3.844 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.556 4.793 -5.632 1.00 0.00 H new ATOM 1251 N GLN A 95 -1.791 4.353 -4.766 1.00 0.00 N ATOM 1252 CA GLN A 95 -0.476 3.703 -4.905 1.00 0.00 C ATOM 1253 C GLN A 95 -0.241 2.732 -3.756 1.00 0.00 C ATOM 1254 O GLN A 95 0.281 1.637 -3.949 1.00 0.00 O ATOM 1255 CB GLN A 95 0.649 4.777 -4.936 1.00 0.00 C ATOM 1256 CG GLN A 95 0.401 5.788 -6.089 1.00 0.00 C ATOM 1257 CD GLN A 95 0.486 5.097 -7.451 1.00 0.00 C ATOM 1258 OE1 GLN A 95 1.414 4.328 -7.695 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.444 5.308 -8.343 1.00 0.00 N ATOM 0 H GLN A 95 -1.747 5.365 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.459 3.145 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 95 0.683 5.304 -3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.617 4.295 -5.069 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.581 6.247 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.136 6.591 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.212 5.946 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.402 4.834 -9.245 1.00 0.00 H new ATOM 1268 N LYS A 96 -0.615 3.147 -2.550 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.427 2.308 -1.368 1.00 0.00 C ATOM 1270 C LYS A 96 -1.151 0.976 -1.544 1.00 0.00 C ATOM 1271 O LYS A 96 -0.613 -0.084 -1.223 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.985 3.039 -0.140 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.222 4.379 0.091 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.707 5.073 1.419 1.00 0.00 C ATOM 1275 CE LYS A 96 0.058 4.517 2.648 1.00 0.00 C ATOM 1276 NZ LYS A 96 1.497 4.856 2.492 1.00 0.00 N ATOM 0 H LYS A 96 -1.047 4.052 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 96 0.637 2.112 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.048 3.238 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.893 2.404 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.850 4.188 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.385 5.047 -0.755 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.554 6.150 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.777 4.911 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.336 4.948 3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.072 3.437 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.058 3.981 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.634 5.394 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.808 5.431 3.301 1.00 0.00 H new ATOM 1290 N SER A 97 -2.374 1.048 -2.075 1.00 0.00 N ATOM 1291 CA SER A 97 -3.179 -0.148 -2.318 1.00 0.00 C ATOM 1292 C SER A 97 -2.472 -1.066 -3.311 1.00 0.00 C ATOM 1293 O SER A 97 -2.498 -2.289 -3.171 1.00 0.00 O ATOM 1294 CB SER A 97 -4.558 0.245 -2.867 1.00 0.00 C ATOM 1295 OG SER A 97 -5.318 -0.935 -3.076 1.00 0.00 O ATOM 0 H SER A 97 -2.827 1.922 -2.344 1.00 0.00 H new ATOM 0 HA SER A 97 -3.309 -0.678 -1.374 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.070 0.905 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.450 0.795 -3.802 1.00 0.00 H new ATOM 0 HG SER A 97 -6.202 -0.697 -3.425 1.00 0.00 H new ATOM 1301 N ASP A 98 -1.836 -0.460 -4.324 1.00 0.00 N ATOM 1302 CA ASP A 98 -1.115 -1.229 -5.346 1.00 0.00 C ATOM 1303 C ASP A 98 0.037 -2.013 -4.709 1.00 0.00 C ATOM 1304 O ASP A 98 0.246 -3.187 -5.011 1.00 0.00 O ATOM 1305 CB ASP A 98 -0.570 -0.282 -6.447 1.00 0.00 C ATOM 1306 CG ASP A 98 0.037 -1.092 -7.606 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -0.706 -1.839 -8.220 1.00 0.00 O ATOM 1308 OD2 ASP A 98 1.229 -0.970 -7.842 1.00 0.00 O ATOM 0 H ASP A 98 -1.806 0.551 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.809 -1.935 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.375 0.351 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.186 0.380 -6.024 1.00 0.00 H new ATOM 1313 N LEU A 99 0.781 -1.344 -3.818 1.00 0.00 N ATOM 1314 CA LEU A 99 1.922 -1.967 -3.132 1.00 0.00 C ATOM 1315 C LEU A 99 1.459 -3.115 -2.261 1.00 0.00 C ATOM 1316 O LEU A 99 2.113 -4.161 -2.195 1.00 0.00 O ATOM 1317 CB LEU A 99 2.655 -0.906 -2.281 1.00 0.00 C ATOM 1318 CG LEU A 99 3.340 0.174 -3.194 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.844 1.344 -2.321 1.00 0.00 C ATOM 1320 CD2 LEU A 99 4.543 -0.429 -4.013 1.00 0.00 C ATOM 0 H LEU A 99 0.614 -0.373 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 99 2.610 -2.365 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.947 -0.422 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.407 -1.390 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 99 2.596 0.530 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.319 2.093 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.002 1.795 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.567 0.971 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.989 0.350 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.292 -0.819 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.181 -1.236 -4.651 1.00 0.00 H new ATOM 1332 N ASN A 100 0.333 -2.911 -1.581 1.00 0.00 N ATOM 1333 CA ASN A 100 -0.208 -3.939 -0.696 1.00 0.00 C ATOM 1334 C ASN A 100 -0.388 -5.240 -1.480 1.00 0.00 C ATOM 1335 O ASN A 100 0.041 -6.307 -1.034 1.00 0.00 O ATOM 1336 CB ASN A 100 -1.559 -3.465 -0.121 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.371 -2.208 0.729 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.280 -1.952 1.244 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.377 -1.402 0.902 1.00 0.00 N ATOM 0 H ASN A 100 -0.217 -2.053 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 100 0.481 -4.117 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.255 -3.260 -0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.001 -4.257 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.264 -0.558 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.279 -1.614 0.476 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.007 -5.134 -2.661 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.221 -6.300 -3.519 1.00 0.00 C ATOM 1348 C ASN A 101 0.109 -6.785 -4.084 1.00 0.00 C ATOM 1349 O ASN A 101 0.339 -7.992 -4.197 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.182 -5.944 -4.678 1.00 0.00 C ATOM 1351 CG ASN A 101 -2.523 -7.201 -5.488 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -1.842 -7.524 -6.462 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -3.524 -7.941 -5.107 1.00 0.00 N ATOM 0 H ASN A 101 -1.366 -4.258 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.667 -7.095 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.095 -5.500 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.721 -5.199 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.749 -8.796 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.083 -7.666 -4.299 1.00 0.00 H new ATOM 1360 N GLN A 102 0.975 -5.825 -4.467 1.00 0.00 N ATOM 1361 CA GLN A 102 2.278 -6.153 -5.063 1.00 0.00 C ATOM 1362 C GLN A 102 3.000 -7.160 -4.194 1.00 0.00 C ATOM 1363 O GLN A 102 3.472 -8.192 -4.675 1.00 0.00 O ATOM 1364 CB GLN A 102 3.150 -4.874 -5.216 1.00 0.00 C ATOM 1365 CG GLN A 102 4.369 -5.124 -6.162 1.00 0.00 C ATOM 1366 CD GLN A 102 3.884 -5.314 -7.604 1.00 0.00 C ATOM 1367 OE1 GLN A 102 3.000 -4.585 -8.053 1.00 0.00 O ATOM 1368 NE2 GLN A 102 4.384 -6.261 -8.339 1.00 0.00 N ATOM 0 H GLN A 102 0.794 -4.825 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 102 2.108 -6.579 -6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.541 -4.062 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.507 -4.556 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.059 -4.282 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.918 -6.007 -5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.117 -6.864 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.044 -6.402 -9.290 1.00 0.00 H new ATOM 1377 N LEU A 103 3.061 -6.851 -2.895 1.00 0.00 N ATOM 1378 CA LEU A 103 3.697 -7.731 -1.922 1.00 0.00 C ATOM 1379 C LEU A 103 2.943 -7.642 -0.603 1.00 0.00 C ATOM 1380 O LEU A 103 2.418 -6.580 -0.263 1.00 0.00 O ATOM 1381 CB LEU A 103 5.186 -7.330 -1.724 1.00 0.00 C ATOM 1382 CG LEU A 103 5.932 -8.328 -0.762 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.925 -9.792 -1.330 1.00 0.00 C ATOM 1384 CD2 LEU A 103 7.387 -7.837 -0.522 1.00 0.00 C ATOM 0 H LEU A 103 2.675 -5.995 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 103 3.668 -8.758 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.690 -7.310 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.240 -6.321 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 103 5.400 -8.348 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.449 -10.453 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.896 -10.132 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.425 -9.809 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.900 -8.531 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.917 -7.789 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.366 -6.846 -0.068 1.00 0.00 H new ATOM 1396 N ALA A 104 2.912 -8.775 0.133 1.00 0.00 N ATOM 1397 CA ALA A 104 2.237 -8.871 1.440 1.00 0.00 C ATOM 1398 C ALA A 104 2.459 -7.603 2.262 1.00 0.00 C ATOM 1399 O ALA A 104 3.484 -6.937 2.106 1.00 0.00 O ATOM 1400 CB ALA A 104 2.775 -10.091 2.226 1.00 0.00 C ATOM 0 H ALA A 104 3.354 -9.645 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 104 1.169 -8.991 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.271 -10.154 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.586 -11.002 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.847 -9.978 2.384 1.00 0.00 H new ATOM 1406 N GLU A 105 1.485 -7.266 3.103 1.00 0.00 N ATOM 1407 CA GLU A 105 1.576 -6.049 3.921 1.00 0.00 C ATOM 1408 C GLU A 105 0.443 -6.016 4.935 1.00 0.00 C ATOM 1409 O GLU A 105 0.038 -4.946 5.387 1.00 0.00 O ATOM 1410 CB GLU A 105 1.525 -4.759 2.994 1.00 0.00 C ATOM 1411 CG GLU A 105 2.542 -3.687 3.465 1.00 0.00 C ATOM 1412 CD GLU A 105 2.252 -3.296 4.919 1.00 0.00 C ATOM 1413 OE1 GLU A 105 1.255 -2.631 5.140 1.00 0.00 O ATOM 1414 OE2 GLU A 105 3.009 -3.701 5.787 1.00 0.00 O ATOM 0 H GLU A 105 0.631 -7.808 3.239 1.00 0.00 H new ATOM 0 HA GLU A 105 2.525 -6.055 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.741 -5.040 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.519 -4.339 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.557 -4.074 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.480 -2.808 2.824 1.00 0.00 H new ATOM 1421 N LEU A 106 -0.070 -7.184 5.272 1.00 0.00 N ATOM 1422 CA LEU A 106 -1.180 -7.298 6.223 1.00 0.00 C ATOM 1423 C LEU A 106 -0.655 -7.288 7.639 1.00 0.00 C ATOM 1424 O LEU A 106 -1.424 -7.452 8.587 1.00 0.00 O ATOM 1425 CB LEU A 106 -1.966 -8.602 5.942 1.00 0.00 C ATOM 1426 CG LEU A 106 -2.311 -8.724 4.415 1.00 0.00 C ATOM 1427 CD1 LEU A 106 -3.077 -10.045 4.160 1.00 0.00 C ATOM 1428 CD2 LEU A 106 -3.143 -7.489 3.913 1.00 0.00 C ATOM 0 H LEU A 106 0.260 -8.076 4.904 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.850 -6.447 6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.376 -9.463 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.884 -8.613 6.529 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.379 -8.736 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.316 -10.128 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.456 -10.889 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.999 -10.049 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.364 -7.606 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.076 -7.427 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.567 -6.576 4.065 1.00 0.00 H new ATOM 1440 N GLU A 107 0.658 -7.088 7.786 1.00 0.00 N ATOM 1441 CA GLU A 107 1.278 -7.056 9.108 1.00 0.00 C ATOM 1442 C GLU A 107 2.686 -6.456 9.005 1.00 0.00 C ATOM 1443 O GLU A 107 3.349 -6.717 8.015 1.00 0.00 O ATOM 1444 CB GLU A 107 1.329 -8.500 9.673 1.00 0.00 C ATOM 1445 CG GLU A 107 1.808 -8.503 11.150 1.00 0.00 C ATOM 1446 CD GLU A 107 1.844 -9.921 11.730 1.00 0.00 C ATOM 1447 OE1 GLU A 107 1.229 -10.808 11.158 1.00 0.00 O ATOM 1448 OE2 GLU A 107 2.486 -10.093 12.752 1.00 0.00 O ATOM 1449 OXT GLU A 107 3.084 -5.767 9.930 1.00 0.00 O ATOM 0 H GLU A 107 1.305 -6.947 7.011 1.00 0.00 H new ATOM 0 HA GLU A 107 0.693 -6.432 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.341 -8.955 9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.002 -9.108 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.802 -8.059 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.143 -7.881 11.750 1.00 0.00 H new TER 1456 GLU A 107