USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 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 39 HIS :FLIP no HD1:sc= -2.7 F(o=-4.6,f=-3) USER MOD Set 1.2: A 74 TYR OH : rot 106:sc= -0.298 USER MOD Set 2.1: A 27 HIS : no HE2:sc= -3.22 X(o=-3.2,f=-3.3!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 SER OG : rot 160:sc= 1.07 USER MOD Set 3.2: A 33 THR OG1 : rot 91:sc= 1.09 USER MOD Single : A 1 ASP N :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.258) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -5.01! C(o=-5!,f=-4.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 26 HIS : no HE2:sc= -2.76 X(o=-2.8,f=-2.3) USER MOD Single : A 30 TYR OH : rot 15:sc= -0.381 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 57 ASN : amide:sc= -3.2 K(o=-3.2,f=-7.6!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -8:sc= 0.517 USER MOD Single : A 71 SER OG : rot 65:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.267) USER MOD Single : A 73 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 80 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-9.7!) USER MOD Single : A 85 SER OG : rot 61:sc= 0.145 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 42:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.022 0.869 40.960 1.00 0.00 N ATOM 2 CA ASP A 1 -3.578 1.405 42.278 1.00 0.00 C ATOM 3 C ASP A 1 -3.388 0.247 43.259 1.00 0.00 C ATOM 4 O ASP A 1 -2.465 0.241 44.052 1.00 0.00 O ATOM 5 CB ASP A 1 -4.637 2.367 42.820 1.00 0.00 C ATOM 6 CG ASP A 1 -3.955 3.484 43.611 1.00 0.00 C ATOM 7 OD1 ASP A 1 -3.703 3.282 44.787 1.00 0.00 O ATOM 8 OD2 ASP A 1 -3.695 4.523 43.026 1.00 0.00 O ATOM 0 H1 ASP A 1 -4.005 1.631 40.252 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.382 0.105 40.662 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.989 0.497 41.045 1.00 0.00 H new ATOM 0 HA ASP A 1 -2.634 1.937 42.157 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -5.214 2.790 41.998 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.338 1.830 43.459 1.00 0.00 H new ATOM 9 N LYS A 2 -4.258 -0.730 43.213 1.00 0.00 N ATOM 10 CA LYS A 2 -4.138 -1.893 44.141 1.00 0.00 C ATOM 11 C LYS A 2 -4.422 -3.187 43.377 1.00 0.00 C ATOM 12 O LYS A 2 -3.565 -4.041 43.248 1.00 0.00 O ATOM 13 CB LYS A 2 -5.147 -1.741 45.282 1.00 0.00 C ATOM 14 CG LYS A 2 -4.824 -0.479 46.086 1.00 0.00 C ATOM 15 CD LYS A 2 -5.368 -0.627 47.508 1.00 0.00 C ATOM 16 CE LYS A 2 -4.292 -1.235 48.407 1.00 0.00 C ATOM 17 NZ LYS A 2 -4.723 -1.143 49.831 1.00 0.00 N ATOM 0 H LYS A 2 -5.049 -0.771 42.570 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.129 -1.928 44.551 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.159 -1.680 44.881 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.113 -2.617 45.930 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.746 -0.318 46.112 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.265 0.394 45.605 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.673 0.345 47.895 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.255 -1.261 47.505 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.121 -2.276 48.134 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.347 -0.710 48.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.991 -1.557 50.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.865 -0.145 50.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.615 -1.663 49.958 1.00 0.00 H new ATOM 18 N ASP A 3 -5.619 -3.334 42.869 1.00 0.00 N ATOM 19 CA ASP A 3 -5.970 -4.570 42.110 1.00 0.00 C ATOM 20 C ASP A 3 -7.385 -4.438 41.544 1.00 0.00 C ATOM 21 O ASP A 3 -8.171 -3.628 42.001 1.00 0.00 O ATOM 22 CB ASP A 3 -5.906 -5.780 43.047 1.00 0.00 C ATOM 23 CG ASP A 3 -5.880 -7.066 42.220 1.00 0.00 C ATOM 24 OD1 ASP A 3 -5.014 -7.181 41.367 1.00 0.00 O ATOM 25 OD2 ASP A 3 -6.725 -7.914 42.453 1.00 0.00 O ATOM 0 H ASP A 3 -6.370 -2.648 42.948 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.263 -4.706 41.292 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.017 -5.721 43.674 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.768 -5.782 43.715 1.00 0.00 H new ATOM 26 N VAL A 4 -7.714 -5.228 40.555 1.00 0.00 N ATOM 27 CA VAL A 4 -9.077 -5.156 39.952 1.00 0.00 C ATOM 28 C VAL A 4 -10.118 -5.558 41.007 1.00 0.00 C ATOM 29 O VAL A 4 -10.317 -6.726 41.281 1.00 0.00 O ATOM 30 CB VAL A 4 -9.141 -6.100 38.727 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.593 -6.369 38.304 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.414 -5.448 37.553 1.00 0.00 C ATOM 0 H VAL A 4 -7.094 -5.922 40.138 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.292 -4.140 39.621 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.672 -7.044 39.004 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.603 -7.035 37.441 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.132 -6.835 39.129 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.076 -5.428 38.041 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.456 -6.109 36.687 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.893 -4.500 37.310 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.373 -5.270 37.823 1.00 0.00 H new ATOM 33 N LYS A 5 -10.799 -4.595 41.571 1.00 0.00 N ATOM 34 CA LYS A 5 -11.851 -4.909 42.579 1.00 0.00 C ATOM 35 C LYS A 5 -13.173 -5.094 41.835 1.00 0.00 C ATOM 36 O LYS A 5 -13.668 -4.177 41.210 1.00 0.00 O ATOM 37 CB LYS A 5 -11.974 -3.753 43.574 1.00 0.00 C ATOM 38 CG LYS A 5 -12.916 -4.156 44.710 1.00 0.00 C ATOM 39 CD LYS A 5 -13.099 -2.974 45.666 1.00 0.00 C ATOM 40 CE LYS A 5 -14.516 -2.998 46.242 1.00 0.00 C ATOM 41 NZ LYS A 5 -14.766 -4.314 46.894 1.00 0.00 N ATOM 0 H LYS A 5 -10.671 -3.602 41.375 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.594 -5.815 43.129 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.993 -3.498 43.974 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.354 -2.864 43.070 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.880 -4.463 44.305 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.509 -5.012 45.248 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.367 -3.027 46.472 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.925 -2.036 45.139 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.639 -2.192 46.966 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.245 -2.829 45.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.570 -4.230 47.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.984 -5.026 46.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.919 -4.606 47.422 1.00 0.00 H new ATOM 42 N TYR A 6 -13.737 -6.274 41.879 1.00 0.00 N ATOM 43 CA TYR A 6 -15.019 -6.517 41.150 1.00 0.00 C ATOM 44 C TYR A 6 -16.188 -5.962 41.961 1.00 0.00 C ATOM 45 O TYR A 6 -16.197 -6.021 43.177 1.00 0.00 O ATOM 46 CB TYR A 6 -15.225 -8.020 40.935 1.00 0.00 C ATOM 47 CG TYR A 6 -13.968 -8.635 40.352 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.783 -8.667 38.963 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.992 -9.173 41.199 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.623 -9.236 38.425 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.832 -9.742 40.660 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.647 -9.772 39.273 1.00 0.00 C ATOM 53 OH TYR A 6 -10.505 -10.333 38.741 1.00 0.00 O ATOM 0 H TYR A 6 -13.367 -7.078 42.386 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.973 -6.016 40.183 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.470 -8.501 41.882 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -16.067 -8.188 40.264 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.535 -8.253 38.308 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.134 -9.149 42.269 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.481 -9.262 37.355 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.080 -10.158 41.314 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.931 -10.657 39.466 1.00 0.00 H new ATOM 54 N TYR A 7 -17.173 -5.424 41.292 1.00 0.00 N ATOM 55 CA TYR A 7 -18.356 -4.857 42.011 1.00 0.00 C ATOM 56 C TYR A 7 -19.608 -5.629 41.585 1.00 0.00 C ATOM 57 O TYR A 7 -19.782 -5.949 40.424 1.00 0.00 O ATOM 58 CB TYR A 7 -18.536 -3.365 41.669 1.00 0.00 C ATOM 59 CG TYR A 7 -17.189 -2.686 41.508 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.478 -2.832 40.311 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.652 -1.918 42.549 1.00 0.00 C ATOM 62 CE1 TYR A 7 -15.233 -2.212 40.150 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.405 -1.299 42.390 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.695 -1.445 41.190 1.00 0.00 C ATOM 65 OH TYR A 7 -13.463 -0.837 41.030 1.00 0.00 O ATOM 0 H TYR A 7 -17.211 -5.352 40.275 1.00 0.00 H new ATOM 0 HA TYR A 7 -18.199 -4.950 43.086 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -19.112 -3.264 40.749 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -19.105 -2.872 42.457 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.891 -3.425 39.509 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.199 -1.803 43.473 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.688 -2.325 39.224 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.990 -0.708 43.193 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.234 -0.342 41.844 1.00 0.00 H new ATOM 66 N THR A 8 -20.478 -5.933 42.516 1.00 0.00 N ATOM 67 CA THR A 8 -21.719 -6.691 42.173 1.00 0.00 C ATOM 68 C THR A 8 -22.558 -5.897 41.167 1.00 0.00 C ATOM 69 O THR A 8 -22.364 -4.708 40.985 1.00 0.00 O ATOM 70 CB THR A 8 -22.539 -6.927 43.445 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.379 -5.819 44.321 1.00 0.00 O ATOM 72 CG2 THR A 8 -22.054 -8.201 44.139 1.00 0.00 C ATOM 0 H THR A 8 -20.381 -5.688 43.501 1.00 0.00 H new ATOM 0 HA THR A 8 -21.442 -7.648 41.730 1.00 0.00 H new ATOM 0 HB THR A 8 -23.592 -7.037 43.184 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.904 -5.967 45.135 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.638 -8.367 45.044 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.176 -9.050 43.467 1.00 0.00 H new ATOM 0 HG23 THR A 8 -21.001 -8.094 44.401 1.00 0.00 H new ATOM 73 N LEU A 9 -23.488 -6.548 40.515 1.00 0.00 N ATOM 74 CA LEU A 9 -24.347 -5.844 39.517 1.00 0.00 C ATOM 75 C LEU A 9 -25.194 -4.782 40.223 1.00 0.00 C ATOM 76 O LEU A 9 -25.580 -3.795 39.628 1.00 0.00 O ATOM 77 CB LEU A 9 -25.277 -6.850 38.831 1.00 0.00 C ATOM 78 CG LEU A 9 -24.458 -7.973 38.191 1.00 0.00 C ATOM 79 CD1 LEU A 9 -25.406 -9.012 37.575 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.554 -7.394 37.097 1.00 0.00 C ATOM 0 H LEU A 9 -23.689 -7.541 40.632 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.708 -5.370 38.772 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.974 -7.267 39.558 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.873 -6.346 38.071 1.00 0.00 H new ATOM 0 HG LEU A 9 -23.842 -8.449 38.954 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.822 -9.812 37.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.046 -9.428 38.354 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -26.024 -8.535 36.814 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.972 -8.196 36.643 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.167 -6.915 36.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.879 -6.659 37.534 1.00 0.00 H new ATOM 81 N GLU A 10 -25.491 -4.982 41.482 1.00 0.00 N ATOM 82 CA GLU A 10 -26.319 -3.989 42.229 1.00 0.00 C ATOM 83 C GLU A 10 -25.500 -2.720 42.483 1.00 0.00 C ATOM 84 O GLU A 10 -26.042 -1.638 42.598 1.00 0.00 O ATOM 85 CB GLU A 10 -26.753 -4.590 43.566 1.00 0.00 C ATOM 86 CG GLU A 10 -27.645 -5.808 43.313 1.00 0.00 C ATOM 87 CD GLU A 10 -27.563 -6.760 44.509 1.00 0.00 C ATOM 88 OE1 GLU A 10 -28.053 -6.395 45.565 1.00 0.00 O ATOM 89 OE2 GLU A 10 -27.012 -7.835 44.347 1.00 0.00 O ATOM 0 H GLU A 10 -25.195 -5.793 42.026 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.200 -3.738 41.638 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.878 -4.881 44.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.292 -3.847 44.153 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.676 -5.491 43.158 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.329 -6.321 42.405 1.00 0.00 H new ATOM 90 N GLU A 11 -24.200 -2.849 42.576 1.00 0.00 N ATOM 91 CA GLU A 11 -23.340 -1.654 42.830 1.00 0.00 C ATOM 92 C GLU A 11 -23.191 -0.841 41.541 1.00 0.00 C ATOM 93 O GLU A 11 -23.031 0.365 41.578 1.00 0.00 O ATOM 94 CB GLU A 11 -21.961 -2.113 43.305 1.00 0.00 C ATOM 95 CG GLU A 11 -21.395 -1.092 44.293 1.00 0.00 C ATOM 96 CD GLU A 11 -22.140 -1.202 45.625 1.00 0.00 C ATOM 97 OE1 GLU A 11 -22.060 -2.253 46.241 1.00 0.00 O ATOM 98 OE2 GLU A 11 -22.778 -0.235 46.007 1.00 0.00 O ATOM 0 H GLU A 11 -23.697 -3.732 42.487 1.00 0.00 H new ATOM 0 HA GLU A 11 -23.803 -1.032 43.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.035 -3.091 43.780 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.289 -2.222 42.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.330 -1.268 44.444 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.497 -0.085 43.889 1.00 0.00 H new ATOM 99 N ILE A 12 -23.235 -1.491 40.406 1.00 0.00 N ATOM 100 CA ILE A 12 -23.089 -0.757 39.111 1.00 0.00 C ATOM 101 C ILE A 12 -24.414 -0.079 38.751 1.00 0.00 C ATOM 102 O ILE A 12 -24.434 1.006 38.198 1.00 0.00 O ATOM 103 CB ILE A 12 -22.705 -1.736 37.994 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.548 -2.642 38.453 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.279 -0.949 36.751 1.00 0.00 C ATOM 106 CD1 ILE A 12 -20.317 -1.799 38.813 1.00 0.00 C ATOM 0 H ILE A 12 -23.366 -2.499 40.319 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.308 -0.005 39.218 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.567 -2.359 37.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -21.859 -3.230 39.317 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.294 -3.347 37.662 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.006 -1.644 35.957 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.105 -0.322 36.417 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.422 -0.321 36.994 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -19.508 -2.455 39.135 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -19.997 -1.231 37.940 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.570 -1.112 39.620 1.00 0.00 H new ATOM 107 N GLN A 13 -25.519 -0.713 39.055 1.00 0.00 N ATOM 108 CA GLN A 13 -26.850 -0.116 38.729 1.00 0.00 C ATOM 109 C GLN A 13 -27.360 0.738 39.898 1.00 0.00 C ATOM 110 O GLN A 13 -28.532 1.060 39.965 1.00 0.00 O ATOM 111 CB GLN A 13 -27.850 -1.237 38.448 1.00 0.00 C ATOM 112 CG GLN A 13 -27.843 -1.567 36.954 1.00 0.00 C ATOM 113 CD GLN A 13 -28.310 -3.008 36.745 1.00 0.00 C ATOM 114 OE1 GLN A 13 -29.226 -3.464 37.402 1.00 0.00 O ATOM 115 NE2 GLN A 13 -27.717 -3.752 35.853 1.00 0.00 N ATOM 0 H GLN A 13 -25.556 -1.622 39.517 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.744 0.520 37.850 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.591 -2.123 39.028 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -28.849 -0.933 38.759 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -28.497 -0.880 36.417 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -26.840 -1.436 36.547 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -26.948 -3.371 35.301 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -28.022 -4.714 35.708 1.00 0.00 H new ATOM 116 N LYS A 14 -26.500 1.108 40.818 1.00 0.00 N ATOM 117 CA LYS A 14 -26.948 1.942 41.972 1.00 0.00 C ATOM 118 C LYS A 14 -26.813 3.433 41.628 1.00 0.00 C ATOM 119 O LYS A 14 -27.397 4.277 42.281 1.00 0.00 O ATOM 120 CB LYS A 14 -26.081 1.624 43.194 1.00 0.00 C ATOM 121 CG LYS A 14 -26.779 0.569 44.056 1.00 0.00 C ATOM 122 CD LYS A 14 -27.624 1.260 45.127 1.00 0.00 C ATOM 123 CE LYS A 14 -28.114 0.225 46.140 1.00 0.00 C ATOM 124 NZ LYS A 14 -28.657 0.921 47.340 1.00 0.00 N ATOM 0 H LYS A 14 -25.509 0.867 40.817 1.00 0.00 H new ATOM 0 HA LYS A 14 -27.992 1.718 42.190 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.104 1.260 42.875 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.909 2.529 43.777 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.410 -0.065 43.433 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.039 -0.080 44.525 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.035 2.026 45.631 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -28.474 1.763 44.666 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.884 -0.402 45.691 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.295 -0.433 46.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -28.990 0.217 48.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.910 1.502 47.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.450 1.531 47.058 1.00 0.00 H new ATOM 125 N HIS A 15 -26.050 3.763 40.613 1.00 0.00 N ATOM 126 CA HIS A 15 -25.878 5.196 40.233 1.00 0.00 C ATOM 127 C HIS A 15 -26.845 5.539 39.099 1.00 0.00 C ATOM 128 O HIS A 15 -26.923 4.837 38.109 1.00 0.00 O ATOM 129 CB HIS A 15 -24.439 5.433 39.762 1.00 0.00 C ATOM 130 CG HIS A 15 -23.468 4.915 40.791 1.00 0.00 C ATOM 131 ND1 HIS A 15 -22.476 5.714 41.338 1.00 0.00 N ATOM 132 CD2 HIS A 15 -23.319 3.681 41.375 1.00 0.00 C ATOM 133 CE1 HIS A 15 -21.780 4.957 42.207 1.00 0.00 C ATOM 134 NE2 HIS A 15 -22.252 3.711 42.267 1.00 0.00 N ATOM 0 H HIS A 15 -25.539 3.098 40.032 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.086 5.828 41.096 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.273 4.932 38.808 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.273 6.497 39.596 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -23.936 2.818 41.172 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.941 5.315 42.785 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.905 2.944 42.843 1.00 0.00 H new ATOM 135 N LYS A 16 -27.581 6.614 39.236 1.00 0.00 N ATOM 136 CA LYS A 16 -28.544 7.008 38.168 1.00 0.00 C ATOM 137 C LYS A 16 -29.208 8.336 38.537 1.00 0.00 C ATOM 138 O LYS A 16 -29.028 9.336 37.866 1.00 0.00 O ATOM 139 CB LYS A 16 -29.618 5.927 38.024 1.00 0.00 C ATOM 140 CG LYS A 16 -30.264 6.027 36.640 1.00 0.00 C ATOM 141 CD LYS A 16 -31.734 5.613 36.732 1.00 0.00 C ATOM 142 CE LYS A 16 -32.533 6.320 35.636 1.00 0.00 C ATOM 143 NZ LYS A 16 -33.719 5.494 35.275 1.00 0.00 N ATOM 0 H LYS A 16 -27.555 7.236 40.044 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.009 7.120 37.225 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.176 4.940 38.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -30.375 6.046 38.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -30.185 7.047 36.263 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -29.738 5.385 35.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -31.826 4.532 36.624 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -32.135 5.871 37.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -32.853 7.303 35.981 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -31.906 6.478 34.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -34.263 5.974 34.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -33.403 4.565 34.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -34.320 5.365 36.114 1.00 0.00 H new ATOM 144 N ASP A 17 -29.975 8.351 39.597 1.00 0.00 N ATOM 145 CA ASP A 17 -30.659 9.609 40.016 1.00 0.00 C ATOM 146 C ASP A 17 -29.787 10.352 41.035 1.00 0.00 C ATOM 147 O ASP A 17 -30.239 10.728 42.101 1.00 0.00 O ATOM 148 CB ASP A 17 -32.013 9.266 40.646 1.00 0.00 C ATOM 149 CG ASP A 17 -31.809 8.270 41.788 1.00 0.00 C ATOM 150 OD1 ASP A 17 -31.833 7.079 41.521 1.00 0.00 O ATOM 151 OD2 ASP A 17 -31.630 8.714 42.910 1.00 0.00 O ATOM 0 H ASP A 17 -30.157 7.543 40.192 1.00 0.00 H new ATOM 0 HA ASP A 17 -30.816 10.246 39.146 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -32.491 10.171 41.020 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -32.678 8.842 39.894 1.00 0.00 H new ATOM 152 N SER A 18 -28.536 10.570 40.708 1.00 0.00 N ATOM 153 CA SER A 18 -27.629 11.291 41.648 1.00 0.00 C ATOM 154 C SER A 18 -26.747 12.267 40.859 1.00 0.00 C ATOM 155 O SER A 18 -27.016 13.453 40.813 1.00 0.00 O ATOM 156 CB SER A 18 -26.751 10.277 42.387 1.00 0.00 C ATOM 157 OG SER A 18 -25.743 10.970 43.112 1.00 0.00 O ATOM 0 H SER A 18 -28.106 10.279 39.830 1.00 0.00 H new ATOM 0 HA SER A 18 -28.221 11.849 42.373 1.00 0.00 H new ATOM 0 HB2 SER A 18 -27.359 9.680 43.067 1.00 0.00 H new ATOM 0 HB3 SER A 18 -26.295 9.587 41.677 1.00 0.00 H new ATOM 0 HG SER A 18 -25.180 10.324 43.588 1.00 0.00 H new ATOM 158 N LYS A 19 -25.700 11.779 40.240 1.00 0.00 N ATOM 159 CA LYS A 19 -24.800 12.673 39.453 1.00 0.00 C ATOM 160 C LYS A 19 -23.705 11.837 38.789 1.00 0.00 C ATOM 161 O LYS A 19 -23.584 11.804 37.578 1.00 0.00 O ATOM 162 CB LYS A 19 -24.155 13.701 40.388 1.00 0.00 C ATOM 163 CG LYS A 19 -23.355 14.712 39.562 1.00 0.00 C ATOM 164 CD LYS A 19 -22.412 15.491 40.482 1.00 0.00 C ATOM 165 CE LYS A 19 -21.352 16.203 39.640 1.00 0.00 C ATOM 166 NZ LYS A 19 -20.522 17.073 40.522 1.00 0.00 N ATOM 0 H LYS A 19 -25.430 10.795 40.247 1.00 0.00 H new ATOM 0 HA LYS A 19 -25.381 13.189 38.688 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.923 14.215 40.966 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -23.501 13.200 41.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.783 14.196 38.790 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.032 15.398 39.052 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.976 16.218 41.067 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.935 14.813 41.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.721 15.472 39.135 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.830 16.802 38.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.800 17.558 39.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.130 17.779 40.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.056 16.490 41.246 1.00 0.00 H new ATOM 167 N SER A 20 -22.906 11.161 39.576 1.00 0.00 N ATOM 168 CA SER A 20 -21.811 10.324 39.005 1.00 0.00 C ATOM 169 C SER A 20 -22.308 8.888 38.823 1.00 0.00 C ATOM 170 O SER A 20 -23.067 8.382 39.627 1.00 0.00 O ATOM 171 CB SER A 20 -20.619 10.329 39.962 1.00 0.00 C ATOM 172 OG SER A 20 -20.111 11.653 40.070 1.00 0.00 O ATOM 0 H SER A 20 -22.967 11.154 40.594 1.00 0.00 H new ATOM 0 HA SER A 20 -21.508 10.730 38.040 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.923 9.962 40.942 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.842 9.657 39.597 1.00 0.00 H new ATOM 0 HG SER A 20 -19.581 11.734 40.890 1.00 0.00 H new ATOM 173 N THR A 21 -21.879 8.230 37.774 1.00 0.00 N ATOM 174 CA THR A 21 -22.322 6.825 37.539 1.00 0.00 C ATOM 175 C THR A 21 -21.231 6.058 36.781 1.00 0.00 C ATOM 176 O THR A 21 -20.257 6.630 36.317 1.00 0.00 O ATOM 177 CB THR A 21 -23.636 6.826 36.737 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.152 5.501 36.666 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.396 7.369 35.323 1.00 0.00 C ATOM 0 H THR A 21 -21.242 8.607 37.072 1.00 0.00 H new ATOM 0 HA THR A 21 -22.494 6.332 38.495 1.00 0.00 H new ATOM 0 HB THR A 21 -24.358 7.470 37.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.989 5.503 36.157 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.334 7.364 34.767 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.016 8.389 35.384 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.667 6.741 34.811 1.00 0.00 H new ATOM 180 N TRP A 22 -21.397 4.769 36.648 1.00 0.00 N ATOM 181 CA TRP A 22 -20.381 3.952 35.920 1.00 0.00 C ATOM 182 C TRP A 22 -21.061 3.226 34.757 1.00 0.00 C ATOM 183 O TRP A 22 -22.267 3.280 34.600 1.00 0.00 O ATOM 184 CB TRP A 22 -19.731 2.909 36.854 1.00 0.00 C ATOM 185 CG TRP A 22 -19.526 3.454 38.241 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.206 4.734 38.549 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.613 2.744 39.512 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.092 4.852 39.922 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.335 3.654 40.560 1.00 0.00 C ATOM 190 CE3 TRP A 22 -19.904 1.411 39.853 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.344 3.255 41.897 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -19.915 1.008 41.199 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.635 1.928 42.218 1.00 0.00 C ATOM 0 H TRP A 22 -22.193 4.245 37.012 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.602 4.620 35.552 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.361 2.021 36.902 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.772 2.598 36.440 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.063 5.533 37.837 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -18.857 5.720 40.404 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.120 0.693 39.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.127 3.968 42.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.141 -0.018 41.450 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -19.644 1.611 43.250 1.00 0.00 H new ATOM 194 N VAL A 23 -20.293 2.550 33.939 1.00 0.00 N ATOM 195 CA VAL A 23 -20.884 1.816 32.778 1.00 0.00 C ATOM 196 C VAL A 23 -20.245 0.429 32.688 1.00 0.00 C ATOM 197 O VAL A 23 -19.234 0.166 33.308 1.00 0.00 O ATOM 198 CB VAL A 23 -20.605 2.589 31.482 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.426 1.990 30.341 1.00 0.00 C ATOM 200 CG2 VAL A 23 -20.996 4.057 31.653 1.00 0.00 C ATOM 0 H VAL A 23 -19.279 2.475 34.026 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.961 1.721 32.915 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.542 2.519 31.253 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -21.227 2.540 29.421 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -21.151 0.944 30.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.487 2.058 30.582 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -20.794 4.597 30.728 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.058 4.126 31.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.415 4.496 32.464 1.00 0.00 H new ATOM 201 N ILE A 24 -20.826 -0.462 31.924 1.00 0.00 N ATOM 202 CA ILE A 24 -20.248 -1.831 31.804 1.00 0.00 C ATOM 203 C ILE A 24 -19.872 -2.113 30.348 1.00 0.00 C ATOM 204 O ILE A 24 -20.650 -1.890 29.440 1.00 0.00 O ATOM 205 CB ILE A 24 -21.272 -2.866 32.274 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.765 -2.497 33.676 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.619 -4.250 32.314 1.00 0.00 C ATOM 208 CD1 ILE A 24 -23.041 -1.662 33.565 1.00 0.00 C ATOM 0 H ILE A 24 -21.673 -0.299 31.380 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.355 -1.894 32.425 1.00 0.00 H new ATOM 0 HB ILE A 24 -22.115 -2.881 31.583 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.958 -3.400 34.255 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.996 -1.936 34.208 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -21.349 -4.987 32.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -20.267 -4.515 31.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.776 -4.235 33.005 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.392 -1.399 34.563 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.833 -0.752 33.002 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.810 -2.239 33.050 1.00 0.00 H new ATOM 209 N LEU A 25 -18.682 -2.610 30.128 1.00 0.00 N ATOM 210 CA LEU A 25 -18.236 -2.924 28.738 1.00 0.00 C ATOM 211 C LEU A 25 -18.355 -4.432 28.513 1.00 0.00 C ATOM 212 O LEU A 25 -17.521 -5.043 27.878 1.00 0.00 O ATOM 213 CB LEU A 25 -16.773 -2.487 28.559 1.00 0.00 C ATOM 214 CG LEU A 25 -16.704 -1.103 27.895 1.00 0.00 C ATOM 215 CD1 LEU A 25 -17.334 -1.163 26.502 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.450 -0.073 28.749 1.00 0.00 C ATOM 0 H LEU A 25 -17.997 -2.813 30.856 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.857 -2.393 28.017 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.275 -2.458 29.528 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.241 -3.217 27.949 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.659 -0.807 27.807 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.282 -0.179 26.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.793 -1.884 25.889 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.377 -1.469 26.587 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.395 0.905 28.270 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.494 -0.371 28.849 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -16.992 -0.019 29.737 1.00 0.00 H new ATOM 217 N HIS A 26 -19.395 -5.033 29.048 1.00 0.00 N ATOM 218 CA HIS A 26 -19.622 -6.515 28.906 1.00 0.00 C ATOM 219 C HIS A 26 -18.692 -7.310 29.845 1.00 0.00 C ATOM 220 O HIS A 26 -18.805 -8.517 29.940 1.00 0.00 O ATOM 221 CB HIS A 26 -19.401 -6.977 27.456 1.00 0.00 C ATOM 222 CG HIS A 26 -20.131 -6.060 26.510 1.00 0.00 C ATOM 223 ND1 HIS A 26 -21.413 -6.334 26.060 1.00 0.00 N ATOM 224 CD2 HIS A 26 -19.772 -4.873 25.918 1.00 0.00 C ATOM 225 CE1 HIS A 26 -21.776 -5.333 25.234 1.00 0.00 C ATOM 226 NE2 HIS A 26 -20.812 -4.417 25.114 1.00 0.00 N ATOM 0 H HIS A 26 -20.112 -4.550 29.589 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.658 -6.709 29.183 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -18.336 -6.980 27.224 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -19.757 -8.000 27.333 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.979 -7.146 26.309 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -18.826 -4.370 26.056 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -22.730 -5.278 24.731 1.00 0.00 H new ATOM 227 N HIS A 27 -17.789 -6.655 30.545 1.00 0.00 N ATOM 228 CA HIS A 27 -16.873 -7.382 31.475 1.00 0.00 C ATOM 229 C HIS A 27 -15.947 -6.375 32.165 1.00 0.00 C ATOM 230 O HIS A 27 -14.783 -6.648 32.395 1.00 0.00 O ATOM 231 CB HIS A 27 -16.023 -8.392 30.694 1.00 0.00 C ATOM 232 CG HIS A 27 -15.351 -9.328 31.662 1.00 0.00 C ATOM 233 ND1 HIS A 27 -14.059 -9.119 32.117 1.00 0.00 N ATOM 234 CD2 HIS A 27 -15.784 -10.476 32.278 1.00 0.00 C ATOM 235 CE1 HIS A 27 -13.763 -10.117 32.970 1.00 0.00 C ATOM 236 NE2 HIS A 27 -14.780 -10.972 33.104 1.00 0.00 N ATOM 0 H HIS A 27 -17.651 -5.645 30.508 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.468 -7.912 32.219 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.650 -8.954 30.002 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.276 -7.871 30.096 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -13.444 -8.349 31.853 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.756 -10.926 32.142 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.818 -10.215 33.484 1.00 0.00 H new ATOM 237 N LYS A 28 -16.451 -5.211 32.495 1.00 0.00 N ATOM 238 CA LYS A 28 -15.595 -4.187 33.164 1.00 0.00 C ATOM 239 C LYS A 28 -16.472 -3.067 33.728 1.00 0.00 C ATOM 240 O LYS A 28 -17.619 -2.920 33.358 1.00 0.00 O ATOM 241 CB LYS A 28 -14.613 -3.600 32.144 1.00 0.00 C ATOM 242 CG LYS A 28 -13.271 -4.346 32.221 1.00 0.00 C ATOM 243 CD LYS A 28 -12.990 -5.053 30.891 1.00 0.00 C ATOM 244 CE LYS A 28 -11.760 -5.950 31.039 1.00 0.00 C ATOM 245 NZ LYS A 28 -11.785 -7.005 29.986 1.00 0.00 N ATOM 0 H LYS A 28 -17.417 -4.928 32.330 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.042 -4.656 33.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.027 -3.681 31.139 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.461 -2.539 32.341 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.468 -3.645 32.447 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.296 -5.074 33.032 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.853 -5.648 30.594 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.824 -4.317 30.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.851 -5.356 30.952 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.748 -6.408 32.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.949 -7.615 30.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.647 -7.578 30.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.777 -6.558 29.047 1.00 0.00 H new ATOM 246 N VAL A 29 -15.929 -2.272 34.616 1.00 0.00 N ATOM 247 CA VAL A 29 -16.711 -1.147 35.209 1.00 0.00 C ATOM 248 C VAL A 29 -16.040 0.159 34.790 1.00 0.00 C ATOM 249 O VAL A 29 -14.837 0.212 34.645 1.00 0.00 O ATOM 250 CB VAL A 29 -16.721 -1.272 36.740 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.785 -0.338 37.321 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.039 -2.721 37.143 1.00 0.00 C ATOM 0 H VAL A 29 -14.971 -2.356 34.957 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.743 -1.169 34.858 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.740 -0.997 37.129 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.793 -0.426 38.407 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.557 0.691 37.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.764 -0.612 36.928 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.045 -2.803 38.230 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.018 -3.001 36.753 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.281 -3.388 36.733 1.00 0.00 H new ATOM 253 N TYR A 30 -16.799 1.200 34.560 1.00 0.00 N ATOM 254 CA TYR A 30 -16.172 2.477 34.106 1.00 0.00 C ATOM 255 C TYR A 30 -16.635 3.668 34.943 1.00 0.00 C ATOM 256 O TYR A 30 -17.631 4.292 34.631 1.00 0.00 O ATOM 257 CB TYR A 30 -16.575 2.742 32.656 1.00 0.00 C ATOM 258 CG TYR A 30 -15.744 1.902 31.731 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.910 0.516 31.713 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.814 2.512 30.886 1.00 0.00 C ATOM 261 CE1 TYR A 30 -15.141 -0.267 30.848 1.00 0.00 C ATOM 262 CE2 TYR A 30 -14.044 1.733 30.020 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.207 0.341 29.998 1.00 0.00 C ATOM 264 OH TYR A 30 -13.447 -0.431 29.144 1.00 0.00 O ATOM 0 H TYR A 30 -17.813 1.222 34.665 1.00 0.00 H new ATOM 0 HA TYR A 30 -15.092 2.370 34.212 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.632 2.515 32.516 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.442 3.798 32.420 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.632 0.049 32.367 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.691 3.585 30.902 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.266 -1.340 30.834 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.323 2.203 29.367 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.837 -1.328 29.079 1.00 0.00 H new ATOM 265 N ASP A 31 -15.897 4.030 35.961 1.00 0.00 N ATOM 266 CA ASP A 31 -16.286 5.230 36.755 1.00 0.00 C ATOM 267 C ASP A 31 -16.021 6.442 35.867 1.00 0.00 C ATOM 268 O ASP A 31 -14.913 6.941 35.800 1.00 0.00 O ATOM 269 CB ASP A 31 -15.445 5.318 38.030 1.00 0.00 C ATOM 270 CG ASP A 31 -15.885 6.530 38.854 1.00 0.00 C ATOM 271 OD1 ASP A 31 -15.541 7.637 38.473 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.560 6.330 39.851 1.00 0.00 O ATOM 0 H ASP A 31 -15.052 3.552 36.273 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.333 5.180 37.054 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.559 4.406 38.616 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.389 5.403 37.775 1.00 0.00 H new ATOM 273 N LEU A 32 -17.018 6.885 35.144 1.00 0.00 N ATOM 274 CA LEU A 32 -16.807 8.032 34.210 1.00 0.00 C ATOM 275 C LEU A 32 -17.438 9.299 34.786 1.00 0.00 C ATOM 276 O LEU A 32 -18.079 10.061 34.084 1.00 0.00 O ATOM 277 CB LEU A 32 -17.436 7.712 32.839 1.00 0.00 C ATOM 278 CG LEU A 32 -17.126 6.255 32.418 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.436 5.500 32.175 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.293 6.240 31.129 1.00 0.00 C ATOM 0 H LEU A 32 -17.964 6.504 35.160 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.737 8.195 34.084 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.515 7.860 32.886 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.052 8.402 32.088 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.562 5.773 33.217 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.215 4.475 31.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.028 5.494 33.090 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.999 5.993 31.383 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.082 5.209 30.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.850 6.731 30.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.355 6.770 31.296 1.00 0.00 H new ATOM 281 N THR A 33 -17.249 9.538 36.059 1.00 0.00 N ATOM 282 CA THR A 33 -17.820 10.761 36.689 1.00 0.00 C ATOM 283 C THR A 33 -17.151 12.001 36.090 1.00 0.00 C ATOM 284 O THR A 33 -17.743 13.061 36.017 1.00 0.00 O ATOM 285 CB THR A 33 -17.567 10.724 38.200 1.00 0.00 C ATOM 286 OG1 THR A 33 -18.006 11.946 38.779 1.00 0.00 O ATOM 287 CG2 THR A 33 -16.071 10.540 38.474 1.00 0.00 C ATOM 0 H THR A 33 -16.721 8.934 36.689 1.00 0.00 H new ATOM 0 HA THR A 33 -18.893 10.799 36.502 1.00 0.00 H new ATOM 0 HB THR A 33 -18.116 9.890 38.637 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.943 11.860 39.053 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.899 10.515 39.550 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.732 9.604 38.030 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.516 11.370 38.037 1.00 0.00 H new ATOM 288 N LYS A 34 -15.919 11.872 35.661 1.00 0.00 N ATOM 289 CA LYS A 34 -15.200 13.035 35.065 1.00 0.00 C ATOM 290 C LYS A 34 -15.435 13.080 33.551 1.00 0.00 C ATOM 291 O LYS A 34 -15.288 14.114 32.929 1.00 0.00 O ATOM 292 CB LYS A 34 -13.701 12.901 35.342 1.00 0.00 C ATOM 293 CG LYS A 34 -13.384 13.473 36.725 1.00 0.00 C ATOM 294 CD LYS A 34 -13.027 14.956 36.594 1.00 0.00 C ATOM 295 CE LYS A 34 -12.032 15.341 37.691 1.00 0.00 C ATOM 296 NZ LYS A 34 -12.776 15.772 38.908 1.00 0.00 N ATOM 0 H LYS A 34 -15.381 11.007 35.699 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.578 13.955 35.512 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.404 11.853 35.293 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.131 13.430 34.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.242 13.352 37.386 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.555 12.927 37.175 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.596 15.152 35.612 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.927 15.566 36.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.388 14.494 37.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.385 16.146 37.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.100 16.034 39.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.372 16.592 38.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.376 14.991 39.243 1.00 0.00 H new ATOM 297 N PHE A 35 -15.795 11.970 32.952 1.00 0.00 N ATOM 298 CA PHE A 35 -16.036 11.951 31.477 1.00 0.00 C ATOM 299 C PHE A 35 -17.224 12.856 31.138 1.00 0.00 C ATOM 300 O PHE A 35 -17.298 13.414 30.062 1.00 0.00 O ATOM 301 CB PHE A 35 -16.346 10.522 31.028 1.00 0.00 C ATOM 302 CG PHE A 35 -16.359 10.457 29.519 1.00 0.00 C ATOM 303 CD1 PHE A 35 -17.439 10.988 28.806 1.00 0.00 C ATOM 304 CD2 PHE A 35 -15.293 9.862 28.833 1.00 0.00 C ATOM 305 CE1 PHE A 35 -17.453 10.927 27.408 1.00 0.00 C ATOM 306 CE2 PHE A 35 -15.309 9.799 27.435 1.00 0.00 C ATOM 307 CZ PHE A 35 -16.389 10.332 26.722 1.00 0.00 C ATOM 0 H PHE A 35 -15.932 11.076 33.423 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.145 12.311 30.963 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.599 9.835 31.425 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.311 10.207 31.424 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -18.262 11.445 29.335 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -14.459 9.452 29.383 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -18.286 11.340 26.858 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -14.487 9.339 26.906 1.00 0.00 H new ATOM 0 HZ PHE A 35 -16.401 10.284 25.643 1.00 0.00 H new ATOM 308 N LEU A 36 -18.154 13.004 32.052 1.00 0.00 N ATOM 309 CA LEU A 36 -19.347 13.872 31.790 1.00 0.00 C ATOM 310 C LEU A 36 -18.895 15.265 31.331 1.00 0.00 C ATOM 311 O LEU A 36 -19.588 15.940 30.592 1.00 0.00 O ATOM 312 CB LEU A 36 -20.169 14.005 33.075 1.00 0.00 C ATOM 313 CG LEU A 36 -20.689 12.629 33.494 1.00 0.00 C ATOM 314 CD1 LEU A 36 -21.374 12.734 34.857 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.693 12.125 32.455 1.00 0.00 C ATOM 0 H LEU A 36 -18.138 12.560 32.970 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.954 13.417 31.007 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.556 14.431 33.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -21.004 14.688 32.916 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.854 11.931 33.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.744 11.753 35.155 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -20.658 13.092 35.597 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -22.208 13.432 34.792 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -22.064 11.144 32.753 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.527 12.823 32.387 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.204 12.048 31.484 1.00 0.00 H new ATOM 316 N GLU A 37 -17.735 15.688 31.761 1.00 0.00 N ATOM 317 CA GLU A 37 -17.218 17.028 31.353 1.00 0.00 C ATOM 318 C GLU A 37 -15.863 16.883 30.639 1.00 0.00 C ATOM 319 O GLU A 37 -15.293 17.859 30.189 1.00 0.00 O ATOM 320 CB GLU A 37 -17.043 17.903 32.596 1.00 0.00 C ATOM 321 CG GLU A 37 -18.388 18.057 33.307 1.00 0.00 C ATOM 322 CD GLU A 37 -18.159 18.194 34.814 1.00 0.00 C ATOM 323 OE1 GLU A 37 -17.852 17.194 35.440 1.00 0.00 O ATOM 324 OE2 GLU A 37 -18.294 19.298 35.314 1.00 0.00 O ATOM 0 H GLU A 37 -17.120 15.160 32.381 1.00 0.00 H new ATOM 0 HA GLU A 37 -17.931 17.489 30.670 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.313 17.454 33.270 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -16.655 18.882 32.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.913 18.934 32.928 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.020 17.193 33.102 1.00 0.00 H new ATOM 325 N GLU A 38 -15.339 15.679 30.529 1.00 0.00 N ATOM 326 CA GLU A 38 -14.025 15.490 29.844 1.00 0.00 C ATOM 327 C GLU A 38 -14.242 15.470 28.328 1.00 0.00 C ATOM 328 O GLU A 38 -13.382 15.870 27.566 1.00 0.00 O ATOM 329 CB GLU A 38 -13.399 14.164 30.296 1.00 0.00 C ATOM 330 CG GLU A 38 -11.904 14.362 30.563 1.00 0.00 C ATOM 331 CD GLU A 38 -11.190 14.711 29.256 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.253 15.862 28.858 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.593 13.819 28.675 1.00 0.00 O ATOM 0 H GLU A 38 -15.768 14.825 30.885 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.355 16.310 30.103 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.895 13.806 31.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.543 13.403 29.529 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.757 15.158 31.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.478 13.455 30.991 1.00 0.00 H new ATOM 334 N HIS A 39 -15.386 15.007 27.889 1.00 0.00 N ATOM 335 CA HIS A 39 -15.668 14.957 26.424 1.00 0.00 C ATOM 336 C HIS A 39 -17.130 15.357 26.168 1.00 0.00 C ATOM 337 O HIS A 39 -17.990 14.500 26.096 1.00 0.00 O ATOM 338 CB HIS A 39 -15.428 13.537 25.907 1.00 0.00 C ATOM 339 CG HIS A 39 -13.962 13.216 25.987 1.00 0.00 C ATOM 340 ND1 HIS A 39 -12.923 13.447 25.122 1.00 0.00 N flip ATOM 341 CD2 HIS A 39 -13.407 12.564 27.078 1.00 0.00 C flip ATOM 342 CE1 HIS A 39 -11.741 12.950 25.662 1.00 0.00 C flip ATOM 343 NE2 HIS A 39 -12.089 12.428 26.842 1.00 0.00 N flip ATOM 0 H HIS A 39 -16.138 14.661 28.485 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.007 15.650 25.903 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.001 12.822 26.498 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -15.775 13.450 24.877 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.936 12.227 27.957 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.755 12.980 25.222 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.436 11.981 27.485 1.00 0.00 H new ATOM 344 N PRO A 40 -17.381 16.646 26.036 1.00 0.00 N ATOM 345 CA PRO A 40 -18.750 17.190 25.783 1.00 0.00 C ATOM 346 C PRO A 40 -19.075 17.146 24.288 1.00 0.00 C ATOM 347 O PRO A 40 -18.620 17.974 23.522 1.00 0.00 O ATOM 348 CB PRO A 40 -18.655 18.629 26.276 1.00 0.00 C ATOM 349 CG PRO A 40 -17.188 19.031 26.213 1.00 0.00 C ATOM 350 CD PRO A 40 -16.357 17.746 26.118 1.00 0.00 C ATOM 0 HA PRO A 40 -19.537 16.623 26.280 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.262 19.289 25.656 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.033 18.712 27.295 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.003 19.671 25.350 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.909 19.602 27.099 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.711 17.754 25.240 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.711 17.625 26.988 1.00 0.00 H new ATOM 351 N GLY A 41 -19.860 16.184 23.872 1.00 0.00 N ATOM 352 CA GLY A 41 -20.220 16.076 22.426 1.00 0.00 C ATOM 353 C GLY A 41 -21.706 16.391 22.245 1.00 0.00 C ATOM 354 O GLY A 41 -22.146 17.501 22.480 1.00 0.00 O ATOM 0 H GLY A 41 -20.268 15.468 24.473 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.617 16.767 21.838 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -20.003 15.072 22.060 1.00 0.00 H new ATOM 355 N GLY A 42 -22.479 15.421 21.827 1.00 0.00 N ATOM 356 CA GLY A 42 -23.939 15.654 21.627 1.00 0.00 C ATOM 357 C GLY A 42 -24.735 14.699 22.519 1.00 0.00 C ATOM 358 O GLY A 42 -25.713 14.112 22.095 1.00 0.00 O ATOM 0 H GLY A 42 -22.160 14.476 21.615 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -24.190 16.687 21.868 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -24.203 15.497 20.581 1.00 0.00 H new ATOM 359 N GLU A 43 -24.323 14.542 23.751 1.00 0.00 N ATOM 360 CA GLU A 43 -25.047 13.627 24.686 1.00 0.00 C ATOM 361 C GLU A 43 -25.040 12.202 24.125 1.00 0.00 C ATOM 362 O GLU A 43 -25.944 11.427 24.371 1.00 0.00 O ATOM 363 CB GLU A 43 -26.492 14.101 24.855 1.00 0.00 C ATOM 364 CG GLU A 43 -27.168 13.300 25.969 1.00 0.00 C ATOM 365 CD GLU A 43 -28.259 14.149 26.622 1.00 0.00 C ATOM 366 OE1 GLU A 43 -27.917 15.146 27.238 1.00 0.00 O ATOM 367 OE2 GLU A 43 -29.418 13.790 26.496 1.00 0.00 O ATOM 0 H GLU A 43 -23.511 15.011 24.152 1.00 0.00 H new ATOM 0 HA GLU A 43 -24.546 13.637 25.654 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.511 15.164 25.095 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.038 13.975 23.920 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.599 12.385 25.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.431 13.001 26.714 1.00 0.00 H new ATOM 368 N GLU A 44 -24.024 11.856 23.373 1.00 0.00 N ATOM 369 CA GLU A 44 -23.950 10.482 22.793 1.00 0.00 C ATOM 370 C GLU A 44 -23.012 9.594 23.625 1.00 0.00 C ATOM 371 O GLU A 44 -22.845 8.424 23.333 1.00 0.00 O ATOM 372 CB GLU A 44 -23.426 10.567 21.358 1.00 0.00 C ATOM 373 CG GLU A 44 -22.096 11.321 21.343 1.00 0.00 C ATOM 374 CD GLU A 44 -21.389 11.083 20.007 1.00 0.00 C ATOM 375 OE1 GLU A 44 -20.850 10.004 19.828 1.00 0.00 O ATOM 376 OE2 GLU A 44 -21.399 11.985 19.185 1.00 0.00 O ATOM 0 H GLU A 44 -23.243 12.468 23.136 1.00 0.00 H new ATOM 0 HA GLU A 44 -24.948 10.043 22.802 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -23.293 9.566 20.949 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -24.152 11.077 20.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -22.269 12.387 21.490 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.465 10.984 22.165 1.00 0.00 H new ATOM 377 N VAL A 45 -22.398 10.129 24.655 1.00 0.00 N ATOM 378 CA VAL A 45 -21.478 9.309 25.495 1.00 0.00 C ATOM 379 C VAL A 45 -22.233 8.786 26.718 1.00 0.00 C ATOM 380 O VAL A 45 -23.133 9.430 27.222 1.00 0.00 O ATOM 381 CB VAL A 45 -20.298 10.171 25.947 1.00 0.00 C ATOM 382 CG1 VAL A 45 -19.471 10.583 24.727 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.823 11.425 26.653 1.00 0.00 C ATOM 0 H VAL A 45 -22.497 11.101 24.947 1.00 0.00 H new ATOM 0 HA VAL A 45 -21.107 8.465 24.913 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.674 9.600 26.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.630 11.197 25.048 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -19.098 9.692 24.223 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -20.096 11.154 24.040 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.983 12.040 26.975 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -21.447 11.995 25.965 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.413 11.133 27.522 1.00 0.00 H new ATOM 384 N LEU A 46 -21.873 7.620 27.197 1.00 0.00 N ATOM 385 CA LEU A 46 -22.564 7.044 28.392 1.00 0.00 C ATOM 386 C LEU A 46 -24.066 6.909 28.109 1.00 0.00 C ATOM 387 O LEU A 46 -24.883 6.980 29.007 1.00 0.00 O ATOM 388 CB LEU A 46 -22.343 7.964 29.602 1.00 0.00 C ATOM 389 CG LEU A 46 -21.462 7.257 30.634 1.00 0.00 C ATOM 390 CD1 LEU A 46 -19.987 7.425 30.257 1.00 0.00 C ATOM 391 CD2 LEU A 46 -21.711 7.857 32.018 1.00 0.00 C ATOM 0 H LEU A 46 -21.128 7.041 26.810 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.153 6.058 28.607 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -21.871 8.893 29.283 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -23.301 8.230 30.049 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.709 6.195 30.651 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.363 6.920 30.995 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.811 6.989 29.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.736 8.485 30.234 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -21.083 7.352 32.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -21.469 8.920 32.003 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -22.759 7.727 32.288 1.00 0.00 H new ATOM 392 N ARG A 47 -24.430 6.718 26.865 1.00 0.00 N ATOM 393 CA ARG A 47 -25.874 6.579 26.516 1.00 0.00 C ATOM 394 C ARG A 47 -26.007 5.882 25.161 1.00 0.00 C ATOM 395 O ARG A 47 -26.883 6.197 24.374 1.00 0.00 O ATOM 396 CB ARG A 47 -26.516 7.966 26.442 1.00 0.00 C ATOM 397 CG ARG A 47 -27.977 7.878 26.891 1.00 0.00 C ATOM 398 CD ARG A 47 -28.048 7.995 28.415 1.00 0.00 C ATOM 399 NE ARG A 47 -29.318 7.386 28.900 1.00 0.00 N ATOM 400 CZ ARG A 47 -29.398 6.927 30.119 1.00 0.00 C ATOM 401 NH1 ARG A 47 -28.487 6.107 30.568 1.00 0.00 N ATOM 402 NH2 ARG A 47 -30.388 7.287 30.890 1.00 0.00 N ATOM 0 H ARG A 47 -23.787 6.653 26.076 1.00 0.00 H new ATOM 0 HA ARG A 47 -26.377 5.986 27.280 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.971 8.665 27.077 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.460 8.350 25.424 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -28.560 8.673 26.427 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -28.412 6.933 26.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.194 7.492 28.869 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.997 9.042 28.713 1.00 0.00 H new ATOM 0 HE ARG A 47 -30.125 7.328 28.279 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -27.713 5.825 29.966 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.549 5.748 31.521 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -31.100 7.928 30.540 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -30.449 6.927 31.843 1.00 0.00 H new ATOM 403 N GLU A 48 -25.144 4.938 24.882 1.00 0.00 N ATOM 404 CA GLU A 48 -25.213 4.214 23.580 1.00 0.00 C ATOM 405 C GLU A 48 -25.589 2.751 23.829 1.00 0.00 C ATOM 406 O GLU A 48 -24.740 1.879 23.859 1.00 0.00 O ATOM 407 CB GLU A 48 -23.850 4.281 22.886 1.00 0.00 C ATOM 408 CG GLU A 48 -23.791 5.523 21.994 1.00 0.00 C ATOM 409 CD GLU A 48 -22.938 5.225 20.759 1.00 0.00 C ATOM 410 OE1 GLU A 48 -23.496 4.775 19.773 1.00 0.00 O ATOM 411 OE2 GLU A 48 -21.741 5.453 20.823 1.00 0.00 O ATOM 0 H GLU A 48 -24.393 4.638 25.503 1.00 0.00 H new ATOM 0 HA GLU A 48 -25.967 4.679 22.945 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -23.053 4.316 23.629 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.690 3.383 22.289 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -24.797 5.815 21.692 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -23.368 6.361 22.547 1.00 0.00 H new ATOM 412 N GLN A 49 -26.856 2.480 24.006 1.00 0.00 N ATOM 413 CA GLN A 49 -27.300 1.075 24.255 1.00 0.00 C ATOM 414 C GLN A 49 -28.672 0.854 23.614 1.00 0.00 C ATOM 415 O GLN A 49 -29.512 1.733 23.608 1.00 0.00 O ATOM 416 CB GLN A 49 -27.396 0.830 25.763 1.00 0.00 C ATOM 417 CG GLN A 49 -25.989 0.671 26.344 1.00 0.00 C ATOM 418 CD GLN A 49 -26.057 0.736 27.870 1.00 0.00 C ATOM 419 OE1 GLN A 49 -26.128 -0.282 28.532 1.00 0.00 O ATOM 420 NE2 GLN A 49 -26.037 1.898 28.463 1.00 0.00 N ATOM 0 H GLN A 49 -27.605 3.173 23.989 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.579 0.383 23.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.909 1.662 26.246 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -27.986 -0.065 25.960 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -25.559 -0.280 26.029 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -25.336 1.457 25.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -25.977 2.752 27.909 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -26.081 1.952 29.481 1.00 0.00 H new ATOM 421 N ALA A 50 -28.902 -0.318 23.078 1.00 0.00 N ATOM 422 CA ALA A 50 -30.217 -0.609 22.436 1.00 0.00 C ATOM 423 C ALA A 50 -30.252 -2.069 21.983 1.00 0.00 C ATOM 424 O ALA A 50 -31.257 -2.743 22.112 1.00 0.00 O ATOM 425 CB ALA A 50 -30.406 0.307 21.223 1.00 0.00 C ATOM 0 H ALA A 50 -28.233 -1.087 23.058 1.00 0.00 H new ATOM 0 HA ALA A 50 -31.019 -0.433 23.153 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -31.366 0.095 20.753 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -30.382 1.348 21.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -29.605 0.131 20.506 1.00 0.00 H new ATOM 426 N GLY A 51 -29.161 -2.561 21.452 1.00 0.00 N ATOM 427 CA GLY A 51 -29.121 -3.978 20.986 1.00 0.00 C ATOM 428 C GLY A 51 -28.837 -4.898 22.175 1.00 0.00 C ATOM 429 O GLY A 51 -27.719 -5.337 22.377 1.00 0.00 O ATOM 0 H GLY A 51 -28.294 -2.039 21.321 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -30.071 -4.247 20.523 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -28.350 -4.100 20.225 1.00 0.00 H new ATOM 430 N GLY A 52 -29.842 -5.193 22.960 1.00 0.00 N ATOM 431 CA GLY A 52 -29.642 -6.086 24.139 1.00 0.00 C ATOM 432 C GLY A 52 -28.684 -5.419 25.128 1.00 0.00 C ATOM 433 O GLY A 52 -27.926 -6.080 25.813 1.00 0.00 O ATOM 0 H GLY A 52 -30.795 -4.852 22.834 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -30.598 -6.288 24.622 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -29.239 -7.046 23.817 1.00 0.00 H new ATOM 434 N ASP A 53 -28.714 -4.111 25.207 1.00 0.00 N ATOM 435 CA ASP A 53 -27.809 -3.384 26.150 1.00 0.00 C ATOM 436 C ASP A 53 -26.349 -3.686 25.801 1.00 0.00 C ATOM 437 O ASP A 53 -25.733 -4.559 26.383 1.00 0.00 O ATOM 438 CB ASP A 53 -28.094 -3.833 27.587 1.00 0.00 C ATOM 439 CG ASP A 53 -27.676 -2.729 28.559 1.00 0.00 C ATOM 440 OD1 ASP A 53 -28.218 -1.641 28.458 1.00 0.00 O ATOM 441 OD2 ASP A 53 -26.820 -2.989 29.388 1.00 0.00 O ATOM 0 H ASP A 53 -29.330 -3.513 24.656 1.00 0.00 H new ATOM 0 HA ASP A 53 -27.987 -2.312 26.063 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -29.154 -4.055 27.706 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -27.550 -4.751 27.807 1.00 0.00 H new ATOM 442 N ALA A 54 -25.797 -2.970 24.854 1.00 0.00 N ATOM 443 CA ALA A 54 -24.377 -3.208 24.459 1.00 0.00 C ATOM 444 C ALA A 54 -23.697 -1.868 24.170 1.00 0.00 C ATOM 445 O ALA A 54 -24.266 -0.998 23.538 1.00 0.00 O ATOM 446 CB ALA A 54 -24.337 -4.082 23.204 1.00 0.00 C ATOM 0 H ALA A 54 -26.271 -2.229 24.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.853 -3.713 25.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -23.301 -4.256 22.915 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.822 -5.036 23.410 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -24.860 -3.577 22.392 1.00 0.00 H new ATOM 447 N THR A 55 -22.483 -1.700 24.629 1.00 0.00 N ATOM 448 CA THR A 55 -21.756 -0.421 24.385 1.00 0.00 C ATOM 449 C THR A 55 -20.437 -0.712 23.666 1.00 0.00 C ATOM 450 O THR A 55 -19.398 -0.834 24.285 1.00 0.00 O ATOM 451 CB THR A 55 -21.465 0.264 25.724 1.00 0.00 C ATOM 452 OG1 THR A 55 -20.828 -0.659 26.597 1.00 0.00 O ATOM 453 CG2 THR A 55 -22.777 0.739 26.352 1.00 0.00 C ATOM 0 H THR A 55 -21.964 -2.396 25.164 1.00 0.00 H new ATOM 0 HA THR A 55 -22.371 0.233 23.767 1.00 0.00 H new ATOM 0 HB THR A 55 -20.812 1.121 25.560 1.00 0.00 H new ATOM 0 HG1 THR A 55 -20.640 -0.222 27.454 1.00 0.00 H new ATOM 0 HG21 THR A 55 -22.569 1.226 27.305 1.00 0.00 H new ATOM 0 HG22 THR A 55 -23.266 1.446 25.682 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.432 -0.116 26.517 1.00 0.00 H new ATOM 454 N GLU A 56 -20.477 -0.822 22.362 1.00 0.00 N ATOM 455 CA GLU A 56 -19.230 -1.105 21.591 1.00 0.00 C ATOM 456 C GLU A 56 -18.302 0.108 21.657 1.00 0.00 C ATOM 457 O GLU A 56 -17.180 0.016 22.119 1.00 0.00 O ATOM 458 CB GLU A 56 -19.589 -1.394 20.131 1.00 0.00 C ATOM 459 CG GLU A 56 -19.906 -2.881 19.967 1.00 0.00 C ATOM 460 CD GLU A 56 -19.535 -3.331 18.553 1.00 0.00 C ATOM 461 OE1 GLU A 56 -18.359 -3.291 18.230 1.00 0.00 O ATOM 462 OE2 GLU A 56 -20.432 -3.707 17.818 1.00 0.00 O ATOM 0 H GLU A 56 -21.322 -0.728 21.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.726 -1.971 22.021 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.448 -0.793 19.831 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.761 -1.114 19.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.352 -3.465 20.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.965 -3.060 20.150 1.00 0.00 H new ATOM 463 N ASN A 57 -18.764 1.245 21.198 1.00 0.00 N ATOM 464 CA ASN A 57 -17.915 2.472 21.230 1.00 0.00 C ATOM 465 C ASN A 57 -18.779 3.680 21.597 1.00 0.00 C ATOM 466 O ASN A 57 -19.677 4.056 20.866 1.00 0.00 O ATOM 467 CB ASN A 57 -17.288 2.693 19.853 1.00 0.00 C ATOM 468 CG ASN A 57 -16.088 1.759 19.681 1.00 0.00 C ATOM 469 OD1 ASN A 57 -16.205 0.564 19.856 1.00 0.00 O ATOM 470 ND2 ASN A 57 -14.931 2.260 19.341 1.00 0.00 N ATOM 0 H ASN A 57 -19.695 1.375 20.802 1.00 0.00 H new ATOM 0 HA ASN A 57 -17.127 2.350 21.973 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.024 2.503 19.072 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.972 3.731 19.748 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.125 1.647 19.222 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.834 3.265 19.194 1.00 0.00 H new ATOM 471 N PHE A 58 -18.513 4.289 22.724 1.00 0.00 N ATOM 472 CA PHE A 58 -19.313 5.476 23.149 1.00 0.00 C ATOM 473 C PHE A 58 -18.394 6.692 23.280 1.00 0.00 C ATOM 474 O PHE A 58 -18.600 7.549 24.120 1.00 0.00 O ATOM 475 CB PHE A 58 -19.980 5.189 24.498 1.00 0.00 C ATOM 476 CG PHE A 58 -18.934 4.755 25.499 1.00 0.00 C ATOM 477 CD1 PHE A 58 -18.586 3.402 25.604 1.00 0.00 C ATOM 478 CD2 PHE A 58 -18.313 5.704 26.319 1.00 0.00 C ATOM 479 CE1 PHE A 58 -17.615 3.001 26.532 1.00 0.00 C ATOM 480 CE2 PHE A 58 -17.343 5.301 27.246 1.00 0.00 C ATOM 481 CZ PHE A 58 -16.995 3.950 27.352 1.00 0.00 C ATOM 0 H PHE A 58 -17.773 4.014 23.370 1.00 0.00 H new ATOM 0 HA PHE A 58 -20.081 5.681 22.403 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -20.494 6.080 24.858 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -20.734 4.410 24.384 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.065 2.669 24.971 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.582 6.747 26.237 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -17.345 1.958 26.614 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -16.864 6.033 27.879 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.248 3.640 28.067 1.00 0.00 H new ATOM 482 N GLU A 59 -17.380 6.772 22.455 1.00 0.00 N ATOM 483 CA GLU A 59 -16.442 7.929 22.524 1.00 0.00 C ATOM 484 C GLU A 59 -16.823 8.960 21.460 1.00 0.00 C ATOM 485 O GLU A 59 -16.614 8.753 20.280 1.00 0.00 O ATOM 486 CB GLU A 59 -15.012 7.442 22.271 1.00 0.00 C ATOM 487 CG GLU A 59 -14.032 8.595 22.494 1.00 0.00 C ATOM 488 CD GLU A 59 -14.033 8.987 23.973 1.00 0.00 C ATOM 489 OE1 GLU A 59 -14.170 8.101 24.800 1.00 0.00 O ATOM 490 OE2 GLU A 59 -13.894 10.166 24.252 1.00 0.00 O ATOM 0 H GLU A 59 -17.163 6.083 21.735 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.502 8.386 23.512 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.775 6.615 22.940 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.920 7.065 21.253 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.029 8.299 22.186 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.314 9.450 21.880 1.00 0.00 H new ATOM 491 N ASP A 60 -17.382 10.070 21.872 1.00 0.00 N ATOM 492 CA ASP A 60 -17.784 11.125 20.894 1.00 0.00 C ATOM 493 C ASP A 60 -16.552 11.641 20.154 1.00 0.00 C ATOM 494 O ASP A 60 -15.460 11.125 20.305 1.00 0.00 O ATOM 495 CB ASP A 60 -18.456 12.290 21.630 1.00 0.00 C ATOM 496 CG ASP A 60 -17.604 12.710 22.831 1.00 0.00 C ATOM 497 OD1 ASP A 60 -16.392 12.714 22.700 1.00 0.00 O ATOM 498 OD2 ASP A 60 -18.180 13.023 23.860 1.00 0.00 O ATOM 0 H ASP A 60 -17.578 10.291 22.848 1.00 0.00 H new ATOM 0 HA ASP A 60 -18.485 10.695 20.179 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.585 13.134 20.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.451 11.995 21.964 1.00 0.00 H new ATOM 499 N VAL A 61 -16.727 12.659 19.354 1.00 0.00 N ATOM 500 CA VAL A 61 -15.579 13.228 18.592 1.00 0.00 C ATOM 501 C VAL A 61 -15.352 14.685 19.032 1.00 0.00 C ATOM 502 O VAL A 61 -16.157 15.252 19.747 1.00 0.00 O ATOM 503 CB VAL A 61 -15.885 13.140 17.079 1.00 0.00 C ATOM 504 CG1 VAL A 61 -16.958 14.159 16.678 1.00 0.00 C ATOM 505 CG2 VAL A 61 -14.611 13.405 16.277 1.00 0.00 C ATOM 0 H VAL A 61 -17.621 13.123 19.195 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.668 12.664 18.793 1.00 0.00 H new ATOM 0 HB VAL A 61 -16.256 12.138 16.864 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -17.156 14.078 15.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -17.875 13.959 17.233 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -16.607 15.165 16.906 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.832 13.342 15.212 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.234 14.401 16.511 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.857 12.662 16.536 1.00 0.00 H new ATOM 506 N GLY A 62 -14.270 15.287 18.611 1.00 0.00 N ATOM 507 CA GLY A 62 -13.992 16.701 19.003 1.00 0.00 C ATOM 508 C GLY A 62 -12.621 16.784 19.679 1.00 0.00 C ATOM 509 O GLY A 62 -11.920 17.770 19.555 1.00 0.00 O ATOM 0 H GLY A 62 -13.565 14.859 18.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.015 17.344 18.124 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -14.766 17.060 19.681 1.00 0.00 H new ATOM 510 N HIS A 63 -12.240 15.755 20.392 1.00 0.00 N ATOM 511 CA HIS A 63 -10.915 15.765 21.082 1.00 0.00 C ATOM 512 C HIS A 63 -9.814 15.423 20.075 1.00 0.00 C ATOM 513 O HIS A 63 -9.399 14.287 19.959 1.00 0.00 O ATOM 514 CB HIS A 63 -10.918 14.727 22.205 1.00 0.00 C ATOM 515 CG HIS A 63 -9.916 15.123 23.256 1.00 0.00 C ATOM 516 ND1 HIS A 63 -8.635 14.599 23.287 1.00 0.00 N ATOM 517 CD2 HIS A 63 -9.995 15.990 24.317 1.00 0.00 C ATOM 518 CE1 HIS A 63 -7.997 15.151 24.338 1.00 0.00 C ATOM 519 NE2 HIS A 63 -8.782 16.006 24.999 1.00 0.00 N ATOM 0 H HIS A 63 -12.790 14.907 20.526 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.730 16.754 21.501 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.913 14.654 22.645 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -10.673 13.743 21.806 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.866 16.571 24.582 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.976 14.929 24.612 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.544 16.553 25.826 1.00 0.00 H new ATOM 520 N SER A 64 -9.340 16.403 19.345 1.00 0.00 N ATOM 521 CA SER A 64 -8.264 16.151 18.339 1.00 0.00 C ATOM 522 C SER A 64 -8.759 15.144 17.295 1.00 0.00 C ATOM 523 O SER A 64 -8.347 14.001 17.276 1.00 0.00 O ATOM 524 CB SER A 64 -7.020 15.598 19.043 1.00 0.00 C ATOM 525 OG SER A 64 -5.894 15.740 18.187 1.00 0.00 O ATOM 0 H SER A 64 -9.655 17.371 19.404 1.00 0.00 H new ATOM 0 HA SER A 64 -8.009 17.087 17.842 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.850 16.131 19.978 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.168 14.548 19.297 1.00 0.00 H new ATOM 0 HG SER A 64 -5.096 15.389 18.635 1.00 0.00 H new ATOM 526 N THR A 65 -9.649 15.567 16.428 1.00 0.00 N ATOM 527 CA THR A 65 -10.195 14.654 15.368 1.00 0.00 C ATOM 528 C THR A 65 -10.680 13.339 15.991 1.00 0.00 C ATOM 529 O THR A 65 -10.814 13.227 17.196 1.00 0.00 O ATOM 530 CB THR A 65 -9.113 14.356 14.321 1.00 0.00 C ATOM 531 OG1 THR A 65 -8.139 13.484 14.876 1.00 0.00 O ATOM 532 CG2 THR A 65 -8.439 15.661 13.880 1.00 0.00 C ATOM 0 H THR A 65 -10.025 16.515 16.408 1.00 0.00 H new ATOM 0 HA THR A 65 -11.037 15.151 14.887 1.00 0.00 H new ATOM 0 HB THR A 65 -9.576 13.881 13.456 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.307 13.375 15.835 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.672 15.441 13.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.185 16.327 13.446 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.980 16.143 14.743 1.00 0.00 H new ATOM 533 N ASP A 66 -10.942 12.349 15.177 1.00 0.00 N ATOM 534 CA ASP A 66 -11.419 11.038 15.711 1.00 0.00 C ATOM 535 C ASP A 66 -10.333 10.419 16.593 1.00 0.00 C ATOM 536 O ASP A 66 -9.465 9.709 16.118 1.00 0.00 O ATOM 537 CB ASP A 66 -11.737 10.088 14.546 1.00 0.00 C ATOM 538 CG ASP A 66 -10.588 10.077 13.525 1.00 0.00 C ATOM 539 OD1 ASP A 66 -9.543 10.639 13.815 1.00 0.00 O ATOM 540 OD2 ASP A 66 -10.776 9.502 12.466 1.00 0.00 O ATOM 0 H ASP A 66 -10.846 12.392 14.162 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.321 11.197 16.302 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.902 9.080 14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.661 10.399 14.058 1.00 0.00 H new ATOM 541 N ALA A 67 -10.376 10.682 17.874 1.00 0.00 N ATOM 542 CA ALA A 67 -9.352 10.112 18.798 1.00 0.00 C ATOM 543 C ALA A 67 -9.612 8.617 18.989 1.00 0.00 C ATOM 544 O ALA A 67 -10.481 8.045 18.357 1.00 0.00 O ATOM 545 CB ALA A 67 -9.434 10.822 20.150 1.00 0.00 C ATOM 0 H ALA A 67 -11.080 11.270 18.321 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.359 10.255 18.372 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.686 10.406 20.825 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.247 11.887 20.014 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.427 10.680 20.576 1.00 0.00 H new ATOM 546 N ARG A 68 -8.865 7.983 19.856 1.00 0.00 N ATOM 547 CA ARG A 68 -9.063 6.523 20.096 1.00 0.00 C ATOM 548 C ARG A 68 -9.924 6.324 21.345 1.00 0.00 C ATOM 549 O ARG A 68 -10.128 7.240 22.120 1.00 0.00 O ATOM 550 CB ARG A 68 -7.703 5.851 20.302 1.00 0.00 C ATOM 551 CG ARG A 68 -6.936 6.574 21.411 1.00 0.00 C ATOM 552 CD ARG A 68 -5.918 5.618 22.035 1.00 0.00 C ATOM 553 NE ARG A 68 -4.599 5.792 21.363 1.00 0.00 N ATOM 554 CZ ARG A 68 -3.676 6.529 21.918 1.00 0.00 C ATOM 555 NH1 ARG A 68 -3.249 6.245 23.118 1.00 0.00 N ATOM 556 NH2 ARG A 68 -3.180 7.550 21.274 1.00 0.00 N ATOM 0 H ARG A 68 -8.125 8.415 20.409 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.562 6.078 19.235 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.840 4.802 20.565 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.130 5.875 19.375 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.428 7.449 21.005 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.629 6.932 22.173 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.824 5.816 23.103 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.259 4.588 21.931 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.418 5.335 20.469 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.637 5.447 23.622 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.528 6.821 23.552 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.514 7.772 20.336 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.459 8.126 21.709 1.00 0.00 H new ATOM 557 N GLU A 69 -10.431 5.132 21.543 1.00 0.00 N ATOM 558 CA GLU A 69 -11.282 4.864 22.739 1.00 0.00 C ATOM 559 C GLU A 69 -10.453 5.062 24.010 1.00 0.00 C ATOM 560 O GLU A 69 -9.388 4.492 24.161 1.00 0.00 O ATOM 561 CB GLU A 69 -11.796 3.423 22.686 1.00 0.00 C ATOM 562 CG GLU A 69 -13.147 3.334 23.398 1.00 0.00 C ATOM 563 CD GLU A 69 -14.275 3.513 22.380 1.00 0.00 C ATOM 564 OE1 GLU A 69 -14.499 4.638 21.964 1.00 0.00 O ATOM 565 OE2 GLU A 69 -14.894 2.520 22.034 1.00 0.00 O ATOM 0 H GLU A 69 -10.291 4.333 20.925 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.127 5.552 22.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.898 3.100 21.650 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.079 2.753 23.160 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.244 2.370 23.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.214 4.101 24.170 1.00 0.00 H new ATOM 566 N LEU A 70 -10.937 5.861 24.926 1.00 0.00 N ATOM 567 CA LEU A 70 -10.179 6.093 26.198 1.00 0.00 C ATOM 568 C LEU A 70 -10.618 5.068 27.248 1.00 0.00 C ATOM 569 O LEU A 70 -10.971 5.414 28.360 1.00 0.00 O ATOM 570 CB LEU A 70 -10.399 7.526 26.741 1.00 0.00 C ATOM 571 CG LEU A 70 -11.833 8.027 26.497 1.00 0.00 C ATOM 572 CD1 LEU A 70 -12.848 7.052 27.104 1.00 0.00 C ATOM 573 CD2 LEU A 70 -12.002 9.403 27.149 1.00 0.00 C ATOM 0 H LEU A 70 -11.822 6.363 24.851 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.116 5.977 25.985 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.187 7.544 27.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.693 8.206 26.264 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.008 8.097 25.423 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.858 7.419 26.924 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.731 6.071 26.643 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.678 6.971 28.178 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.017 9.764 26.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.820 9.323 28.221 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.290 10.103 26.711 1.00 0.00 H new ATOM 574 N SER A 71 -10.594 3.806 26.901 1.00 0.00 N ATOM 575 CA SER A 71 -11.003 2.749 27.871 1.00 0.00 C ATOM 576 C SER A 71 -9.799 2.368 28.739 1.00 0.00 C ATOM 577 O SER A 71 -9.192 1.329 28.554 1.00 0.00 O ATOM 578 CB SER A 71 -11.502 1.521 27.110 1.00 0.00 C ATOM 579 OG SER A 71 -10.413 0.915 26.426 1.00 0.00 O ATOM 0 H SER A 71 -10.308 3.463 25.984 1.00 0.00 H new ATOM 0 HA SER A 71 -11.805 3.125 28.507 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.953 0.809 27.802 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.277 1.810 26.400 1.00 0.00 H new ATOM 0 HG SER A 71 -9.768 0.571 27.078 1.00 0.00 H new ATOM 580 N LYS A 72 -9.450 3.209 29.680 1.00 0.00 N ATOM 581 CA LYS A 72 -8.286 2.915 30.565 1.00 0.00 C ATOM 582 C LYS A 72 -8.154 4.020 31.615 1.00 0.00 C ATOM 583 O LYS A 72 -7.840 3.762 32.761 1.00 0.00 O ATOM 584 CB LYS A 72 -7.007 2.856 29.724 1.00 0.00 C ATOM 585 CG LYS A 72 -5.835 2.414 30.603 1.00 0.00 C ATOM 586 CD LYS A 72 -5.698 0.892 30.545 1.00 0.00 C ATOM 587 CE LYS A 72 -4.864 0.409 31.733 1.00 0.00 C ATOM 588 NZ LYS A 72 -3.540 1.094 31.723 1.00 0.00 N ATOM 0 H LYS A 72 -9.925 4.091 29.873 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.439 1.957 31.061 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.136 2.160 28.895 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.800 3.834 29.289 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.913 2.886 30.262 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.997 2.736 31.632 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.683 0.427 30.566 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.224 0.594 29.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.386 0.618 32.667 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.727 -0.671 31.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.881 0.586 32.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.161 1.104 30.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.652 2.071 32.061 1.00 0.00 H new ATOM 589 N THR A 73 -8.389 5.250 31.230 1.00 0.00 N ATOM 590 CA THR A 73 -8.278 6.377 32.195 1.00 0.00 C ATOM 591 C THR A 73 -9.642 6.655 32.848 1.00 0.00 C ATOM 592 O THR A 73 -9.849 7.704 33.429 1.00 0.00 O ATOM 593 CB THR A 73 -7.803 7.634 31.455 1.00 0.00 C ATOM 594 OG1 THR A 73 -8.146 7.548 30.078 1.00 0.00 O ATOM 595 CG2 THR A 73 -6.287 7.766 31.594 1.00 0.00 C ATOM 0 H THR A 73 -8.654 5.519 30.283 1.00 0.00 H new ATOM 0 HA THR A 73 -7.561 6.110 32.972 1.00 0.00 H new ATOM 0 HB THR A 73 -8.289 8.507 31.890 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.101 7.737 29.966 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.950 8.659 31.068 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.024 7.845 32.649 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.804 6.888 31.164 1.00 0.00 H new ATOM 596 N TYR A 74 -10.569 5.728 32.766 1.00 0.00 N ATOM 597 CA TYR A 74 -11.908 5.947 33.390 1.00 0.00 C ATOM 598 C TYR A 74 -12.450 4.623 33.948 1.00 0.00 C ATOM 599 O TYR A 74 -13.632 4.499 34.212 1.00 0.00 O ATOM 600 CB TYR A 74 -12.883 6.483 32.339 1.00 0.00 C ATOM 601 CG TYR A 74 -12.346 7.767 31.748 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.461 7.723 30.664 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.735 9.001 32.283 1.00 0.00 C ATOM 604 CE1 TYR A 74 -10.964 8.912 30.117 1.00 0.00 C ATOM 605 CE2 TYR A 74 -12.240 10.189 31.734 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.354 10.145 30.650 1.00 0.00 C ATOM 607 OH TYR A 74 -10.867 11.317 30.110 1.00 0.00 O ATOM 0 H TYR A 74 -10.453 4.831 32.294 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.806 6.668 34.201 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.027 5.742 31.552 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.858 6.661 32.792 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.162 6.772 30.250 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.417 9.036 33.120 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.279 8.877 29.283 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.541 11.141 32.146 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.570 11.751 29.583 1.00 0.00 H new ATOM 608 N ILE A 75 -11.605 3.633 34.128 1.00 0.00 N ATOM 609 CA ILE A 75 -12.086 2.323 34.665 1.00 0.00 C ATOM 610 C ILE A 75 -11.772 2.237 36.159 1.00 0.00 C ATOM 611 O ILE A 75 -10.798 2.793 36.631 1.00 0.00 O ATOM 612 CB ILE A 75 -11.391 1.160 33.941 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.326 1.443 32.432 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.185 -0.126 34.188 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.577 0.312 31.722 1.00 0.00 C ATOM 0 H ILE A 75 -10.606 3.678 33.926 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.162 2.254 34.504 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.376 1.049 34.323 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.334 1.534 32.026 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.823 2.393 32.253 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.699 -0.957 33.678 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.224 -0.330 35.258 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.198 -0.007 33.804 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.535 0.519 30.653 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.564 0.241 32.118 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.098 -0.631 31.889 1.00 0.00 H new ATOM 616 N ILE A 76 -12.591 1.541 36.903 1.00 0.00 N ATOM 617 CA ILE A 76 -12.350 1.403 38.375 1.00 0.00 C ATOM 618 C ILE A 76 -11.990 -0.043 38.709 1.00 0.00 C ATOM 619 O ILE A 76 -11.150 -0.304 39.550 1.00 0.00 O ATOM 620 CB ILE A 76 -13.602 1.795 39.183 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.890 1.465 38.409 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.560 3.291 39.488 1.00 0.00 C ATOM 623 CD1 ILE A 76 -16.025 1.187 39.394 1.00 0.00 C ATOM 0 H ILE A 76 -13.420 1.059 36.556 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.530 2.070 38.641 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.605 1.223 40.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.157 2.296 37.757 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.729 0.597 37.770 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.445 3.571 40.060 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.666 3.519 40.068 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.539 3.852 38.554 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.936 0.954 38.843 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.758 0.342 40.028 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.192 2.067 40.015 1.00 0.00 H new ATOM 624 N GLY A 77 -12.626 -0.982 38.062 1.00 0.00 N ATOM 625 CA GLY A 77 -12.336 -2.419 38.343 1.00 0.00 C ATOM 626 C GLY A 77 -12.995 -3.288 37.273 1.00 0.00 C ATOM 627 O GLY A 77 -13.202 -2.853 36.155 1.00 0.00 O ATOM 0 H GLY A 77 -13.336 -0.816 37.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.259 -2.589 38.353 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.711 -2.691 39.330 1.00 0.00 H new ATOM 628 N GLU A 78 -13.331 -4.509 37.606 1.00 0.00 N ATOM 629 CA GLU A 78 -13.984 -5.402 36.605 1.00 0.00 C ATOM 630 C GLU A 78 -15.349 -5.853 37.132 1.00 0.00 C ATOM 631 O GLU A 78 -15.790 -5.429 38.185 1.00 0.00 O ATOM 632 CB GLU A 78 -13.108 -6.631 36.349 1.00 0.00 C ATOM 633 CG GLU A 78 -11.917 -6.234 35.475 1.00 0.00 C ATOM 634 CD GLU A 78 -11.150 -7.490 35.055 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.765 -8.369 34.474 1.00 0.00 O ATOM 636 OE2 GLU A 78 -9.961 -7.552 35.321 1.00 0.00 O ATOM 0 H GLU A 78 -13.181 -4.924 38.526 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.114 -4.853 35.672 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.757 -7.044 37.295 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.690 -7.410 35.857 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.263 -5.695 34.593 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.259 -5.560 36.023 1.00 0.00 H new ATOM 637 N LEU A 79 -16.018 -6.712 36.406 1.00 0.00 N ATOM 638 CA LEU A 79 -17.356 -7.202 36.852 1.00 0.00 C ATOM 639 C LEU A 79 -17.180 -8.508 37.628 1.00 0.00 C ATOM 640 O LEU A 79 -16.438 -9.383 37.224 1.00 0.00 O ATOM 641 CB LEU A 79 -18.238 -7.469 35.623 1.00 0.00 C ATOM 642 CG LEU A 79 -19.720 -7.211 35.946 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.184 -8.107 37.097 1.00 0.00 C ATOM 644 CD2 LEU A 79 -19.914 -5.741 36.332 1.00 0.00 C ATOM 0 H LEU A 79 -15.693 -7.097 35.519 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.825 -6.451 37.487 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.924 -6.828 34.799 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.107 -8.500 35.293 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.314 -7.441 35.062 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.235 -7.910 37.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.061 -9.153 36.816 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.588 -7.897 37.985 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -20.964 -5.560 36.560 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.308 -5.512 37.208 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.608 -5.104 35.502 1.00 0.00 H new ATOM 645 N HIS A 80 -17.873 -8.655 38.731 1.00 0.00 N ATOM 646 CA HIS A 80 -17.773 -9.913 39.535 1.00 0.00 C ATOM 647 C HIS A 80 -18.055 -11.124 38.618 1.00 0.00 C ATOM 648 O HIS A 80 -18.912 -11.040 37.760 1.00 0.00 O ATOM 649 CB HIS A 80 -18.819 -9.859 40.657 1.00 0.00 C ATOM 650 CG HIS A 80 -18.437 -10.806 41.758 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.139 -11.977 41.998 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.429 -10.776 42.691 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.549 -12.602 43.033 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.504 -11.910 43.490 1.00 0.00 N ATOM 0 H HIS A 80 -18.508 -7.953 39.111 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.776 -10.012 39.963 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.894 -8.844 41.048 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.801 -10.122 40.264 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.692 -9.992 42.788 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.880 -13.545 43.442 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.889 -12.161 44.264 1.00 0.00 H new ATOM 655 N PRO A 81 -17.331 -12.214 38.800 1.00 0.00 N ATOM 656 CA PRO A 81 -17.504 -13.445 37.960 1.00 0.00 C ATOM 657 C PRO A 81 -18.803 -14.172 38.319 1.00 0.00 C ATOM 658 O PRO A 81 -19.327 -14.938 37.531 1.00 0.00 O ATOM 659 CB PRO A 81 -16.280 -14.288 38.293 1.00 0.00 C ATOM 660 CG PRO A 81 -15.789 -13.838 39.656 1.00 0.00 C ATOM 661 CD PRO A 81 -16.263 -12.397 39.849 1.00 0.00 C ATOM 0 HA PRO A 81 -17.578 -13.227 36.895 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.534 -15.348 38.305 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.503 -14.155 37.540 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.185 -14.483 40.441 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.702 -13.897 39.713 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.659 -12.239 40.852 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.446 -11.688 39.714 1.00 0.00 H new ATOM 662 N ASP A 82 -19.332 -13.932 39.493 1.00 0.00 N ATOM 663 CA ASP A 82 -20.603 -14.598 39.897 1.00 0.00 C ATOM 664 C ASP A 82 -21.731 -14.185 38.942 1.00 0.00 C ATOM 665 O ASP A 82 -22.709 -14.893 38.791 1.00 0.00 O ATOM 666 CB ASP A 82 -20.965 -14.183 41.323 1.00 0.00 C ATOM 667 CG ASP A 82 -22.084 -15.084 41.849 1.00 0.00 C ATOM 668 OD1 ASP A 82 -21.962 -16.290 41.710 1.00 0.00 O ATOM 669 OD2 ASP A 82 -23.045 -14.552 42.381 1.00 0.00 O ATOM 0 H ASP A 82 -18.935 -13.301 40.189 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.472 -15.679 39.854 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.090 -14.258 41.968 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.285 -13.141 41.340 1.00 0.00 H new ATOM 670 N ASP A 83 -21.607 -13.046 38.298 1.00 0.00 N ATOM 671 CA ASP A 83 -22.675 -12.594 37.360 1.00 0.00 C ATOM 672 C ASP A 83 -22.235 -12.805 35.906 1.00 0.00 C ATOM 673 O ASP A 83 -23.050 -12.810 35.004 1.00 0.00 O ATOM 674 CB ASP A 83 -22.955 -11.110 37.595 1.00 0.00 C ATOM 675 CG ASP A 83 -23.337 -10.887 39.060 1.00 0.00 C ATOM 676 OD1 ASP A 83 -24.347 -11.429 39.477 1.00 0.00 O ATOM 677 OD2 ASP A 83 -22.611 -10.181 39.739 1.00 0.00 O ATOM 0 H ASP A 83 -20.811 -12.414 38.385 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.577 -13.178 37.542 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.074 -10.519 37.344 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -23.761 -10.774 36.943 1.00 0.00 H new ATOM 678 N ARG A 84 -20.953 -12.978 35.666 1.00 0.00 N ATOM 679 CA ARG A 84 -20.467 -13.186 34.267 1.00 0.00 C ATOM 680 C ARG A 84 -21.161 -14.405 33.650 1.00 0.00 C ATOM 681 O ARG A 84 -21.317 -15.429 34.288 1.00 0.00 O ATOM 682 CB ARG A 84 -18.955 -13.418 34.283 1.00 0.00 C ATOM 683 CG ARG A 84 -18.334 -12.841 33.009 1.00 0.00 C ATOM 684 CD ARG A 84 -18.679 -13.736 31.817 1.00 0.00 C ATOM 685 NE ARG A 84 -17.527 -13.773 30.874 1.00 0.00 N ATOM 686 CZ ARG A 84 -17.250 -12.731 30.139 1.00 0.00 C ATOM 687 NH1 ARG A 84 -18.197 -12.140 29.464 1.00 0.00 N ATOM 688 NH2 ARG A 84 -16.027 -12.279 30.081 1.00 0.00 N ATOM 0 H ARG A 84 -20.225 -12.984 36.381 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.697 -12.302 33.673 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.514 -12.946 35.161 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.741 -14.485 34.353 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.705 -11.831 32.837 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.252 -12.768 33.121 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -18.914 -14.743 32.161 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -19.566 -13.358 31.309 1.00 0.00 H new ATOM 0 HE ARG A 84 -16.954 -14.614 30.803 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -19.153 -12.492 29.511 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -17.981 -11.325 28.889 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.287 -12.740 30.610 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.811 -11.464 29.506 1.00 0.00 H new ATOM 689 N SER A 85 -21.583 -14.296 32.415 1.00 0.00 N ATOM 690 CA SER A 85 -22.271 -15.439 31.748 1.00 0.00 C ATOM 691 C SER A 85 -21.229 -16.374 31.126 1.00 0.00 C ATOM 692 O SER A 85 -21.051 -16.408 29.922 1.00 0.00 O ATOM 693 CB SER A 85 -23.204 -14.905 30.659 1.00 0.00 C ATOM 694 OG SER A 85 -22.512 -13.934 29.883 1.00 0.00 O ATOM 0 H SER A 85 -21.479 -13.460 31.839 1.00 0.00 H new ATOM 0 HA SER A 85 -22.854 -15.993 32.484 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.544 -15.722 30.022 1.00 0.00 H new ATOM 0 HB3 SER A 85 -24.092 -14.462 31.110 1.00 0.00 H new ATOM 0 HG SER A 85 -21.735 -14.351 29.454 1.00 0.00 H new ATOM 695 N LYS A 86 -20.543 -17.132 31.941 1.00 0.00 N ATOM 696 CA LYS A 86 -19.511 -18.072 31.411 1.00 0.00 C ATOM 697 C LYS A 86 -19.226 -19.155 32.455 1.00 0.00 C ATOM 698 O LYS A 86 -18.136 -19.691 32.521 1.00 0.00 O ATOM 699 CB LYS A 86 -18.223 -17.301 31.113 1.00 0.00 C ATOM 700 CG LYS A 86 -18.325 -16.647 29.734 1.00 0.00 C ATOM 701 CD LYS A 86 -16.945 -16.626 29.073 1.00 0.00 C ATOM 702 CE LYS A 86 -16.793 -17.848 28.165 1.00 0.00 C ATOM 703 NZ LYS A 86 -17.427 -17.567 26.845 1.00 0.00 N ATOM 0 H LYS A 86 -20.654 -17.140 32.955 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.877 -18.535 30.495 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.057 -16.541 31.876 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.368 -17.976 31.144 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.030 -17.197 29.111 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.709 -15.631 29.829 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.822 -15.712 28.493 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.165 -16.627 29.835 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.738 -18.086 28.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.259 -18.718 28.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.324 -18.397 26.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.437 -17.360 26.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.963 -16.748 26.404 1.00 0.00 H new ATOM 704 N ILE A 87 -20.199 -19.478 33.271 1.00 0.00 N ATOM 705 CA ILE A 87 -19.991 -20.524 34.316 1.00 0.00 C ATOM 706 C ILE A 87 -20.995 -21.660 34.105 1.00 0.00 C ATOM 707 O ILE A 87 -20.625 -22.767 33.758 1.00 0.00 O ATOM 708 CB ILE A 87 -20.194 -19.911 35.705 1.00 0.00 C ATOM 709 CG1 ILE A 87 -19.338 -18.648 35.839 1.00 0.00 C ATOM 710 CG2 ILE A 87 -19.779 -20.920 36.775 1.00 0.00 C ATOM 711 CD1 ILE A 87 -19.662 -17.946 37.159 1.00 0.00 C ATOM 0 H ILE A 87 -21.130 -19.061 33.257 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.977 -20.916 34.240 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.245 -19.654 35.835 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.280 -18.908 35.804 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.529 -17.977 35.002 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.924 -20.483 37.763 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -20.388 -21.819 36.683 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -18.728 -21.179 36.643 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -19.052 -17.048 37.253 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -20.717 -17.672 37.176 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.448 -18.618 37.990 1.00 0.00 H new ATOM 712 N ALA A 88 -22.260 -21.393 34.313 1.00 0.00 N ATOM 713 CA ALA A 88 -23.295 -22.452 34.127 1.00 0.00 C ATOM 714 C ALA A 88 -23.803 -22.423 32.684 1.00 0.00 C ATOM 715 O ALA A 88 -23.496 -23.296 31.893 1.00 0.00 O ATOM 716 CB ALA A 88 -24.462 -22.199 35.083 1.00 0.00 C ATOM 0 H ALA A 88 -22.620 -20.484 34.604 1.00 0.00 H new ATOM 0 HA ALA A 88 -22.857 -23.428 34.338 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -25.218 -22.972 34.947 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -24.101 -22.221 36.111 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -24.900 -21.223 34.873 1.00 0.00 H new ATOM 717 N LYS A 89 -24.577 -21.426 32.340 1.00 0.00 N ATOM 718 CA LYS A 89 -25.113 -21.329 30.951 1.00 0.00 C ATOM 719 C LYS A 89 -24.474 -20.128 30.237 1.00 0.00 C ATOM 720 O LYS A 89 -23.930 -19.255 30.885 1.00 0.00 O ATOM 721 CB LYS A 89 -26.632 -21.143 31.003 1.00 0.00 C ATOM 722 CG LYS A 89 -26.970 -19.945 31.894 1.00 0.00 C ATOM 723 CD LYS A 89 -27.266 -20.430 33.315 1.00 0.00 C ATOM 724 CE LYS A 89 -28.771 -20.650 33.478 1.00 0.00 C ATOM 725 NZ LYS A 89 -29.167 -20.346 34.883 1.00 0.00 N ATOM 0 H LYS A 89 -24.862 -20.672 32.965 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.877 -22.243 30.406 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -27.024 -20.985 29.998 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -27.106 -22.044 31.392 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -26.138 -19.241 31.905 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -27.833 -19.413 31.493 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -26.729 -21.358 33.513 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -26.914 -19.697 34.041 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -29.320 -20.010 32.787 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -29.028 -21.680 33.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -30.190 -20.495 34.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -28.652 -20.974 35.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -28.935 -19.356 35.103 1.00 0.00 H new ATOM 726 N PRO A 90 -24.551 -20.107 28.919 1.00 0.00 N ATOM 727 CA PRO A 90 -23.977 -19.009 28.084 1.00 0.00 C ATOM 728 C PRO A 90 -24.955 -17.833 27.997 1.00 0.00 C ATOM 729 O PRO A 90 -24.623 -16.715 28.345 1.00 0.00 O ATOM 730 CB PRO A 90 -23.791 -19.662 26.720 1.00 0.00 C ATOM 731 CG PRO A 90 -24.768 -20.826 26.640 1.00 0.00 C ATOM 732 CD PRO A 90 -25.211 -21.161 28.068 1.00 0.00 C ATOM 0 HA PRO A 90 -23.050 -18.602 28.489 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -23.981 -18.945 25.921 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -22.766 -20.011 26.598 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -25.628 -20.562 26.025 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -24.296 -21.690 26.173 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -26.296 -21.129 28.166 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.894 -22.163 28.358 1.00 0.00 H new ATOM 733 N SER A 91 -26.156 -18.080 27.538 1.00 0.00 N ATOM 734 CA SER A 91 -27.160 -16.983 27.426 1.00 0.00 C ATOM 735 C SER A 91 -28.546 -17.581 27.177 1.00 0.00 C ATOM 736 O SER A 91 -28.675 -18.723 26.779 1.00 0.00 O ATOM 737 CB SER A 91 -26.784 -16.064 26.262 1.00 0.00 C ATOM 738 OG SER A 91 -25.951 -15.016 26.740 1.00 0.00 O ATOM 0 H SER A 91 -26.484 -18.997 27.236 1.00 0.00 H new ATOM 0 HA SER A 91 -27.174 -16.409 28.352 1.00 0.00 H new ATOM 0 HB2 SER A 91 -26.266 -16.631 25.489 1.00 0.00 H new ATOM 0 HB3 SER A 91 -27.683 -15.650 25.806 1.00 0.00 H new ATOM 0 HG SER A 91 -25.296 -15.381 27.371 1.00 0.00 H new ATOM 739 N GLU A 92 -29.582 -16.813 27.408 1.00 0.00 N ATOM 740 CA GLU A 92 -30.965 -17.326 27.188 1.00 0.00 C ATOM 741 C GLU A 92 -31.971 -16.201 27.441 1.00 0.00 C ATOM 742 O GLU A 92 -32.313 -15.908 28.572 1.00 0.00 O ATOM 743 CB GLU A 92 -31.239 -18.482 28.150 1.00 0.00 C ATOM 744 CG GLU A 92 -32.575 -19.139 27.795 1.00 0.00 C ATOM 745 CD GLU A 92 -33.255 -19.640 29.071 1.00 0.00 C ATOM 746 OE1 GLU A 92 -32.737 -20.566 29.669 1.00 0.00 O ATOM 747 OE2 GLU A 92 -34.282 -19.087 29.427 1.00 0.00 O ATOM 0 H GLU A 92 -29.527 -15.850 27.740 1.00 0.00 H new ATOM 0 HA GLU A 92 -31.064 -17.678 26.161 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -30.435 -19.215 28.092 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -31.263 -18.116 29.177 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -33.219 -18.423 27.284 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -32.412 -19.969 27.107 1.00 0.00 H new ATOM 748 N THR A 93 -32.445 -15.571 26.397 1.00 0.00 N ATOM 749 CA THR A 93 -33.430 -14.462 26.567 1.00 0.00 C ATOM 750 C THR A 93 -34.589 -14.657 25.590 1.00 0.00 C ATOM 751 O THR A 93 -35.184 -13.703 25.124 1.00 0.00 O ATOM 752 CB THR A 93 -32.743 -13.123 26.284 1.00 0.00 C ATOM 753 OG1 THR A 93 -32.140 -13.164 24.999 1.00 0.00 O ATOM 754 CG2 THR A 93 -31.672 -12.862 27.344 1.00 0.00 C ATOM 0 H THR A 93 -32.191 -15.778 25.431 1.00 0.00 H new ATOM 0 HA THR A 93 -33.811 -14.466 27.588 1.00 0.00 H new ATOM 0 HB THR A 93 -33.482 -12.322 26.313 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.701 -12.307 24.816 1.00 0.00 H new ATOM 0 HG21 THR A 93 -31.184 -11.909 27.141 1.00 0.00 H new ATOM 0 HG22 THR A 93 -32.136 -12.830 28.330 1.00 0.00 H new ATOM 0 HG23 THR A 93 -30.932 -13.661 27.318 1.00 0.00 H new ATOM 755 N LEU A 94 -34.916 -15.886 25.280 1.00 0.00 N ATOM 756 CA LEU A 94 -36.038 -16.153 24.333 1.00 0.00 C ATOM 757 C LEU A 94 -37.184 -16.839 25.081 1.00 0.00 C ATOM 758 O LEU A 94 -36.977 -17.218 26.222 1.00 0.00 O ATOM 759 CB LEU A 94 -35.547 -17.063 23.205 1.00 0.00 C ATOM 760 CG LEU A 94 -34.915 -18.323 23.800 1.00 0.00 C ATOM 761 CD1 LEU A 94 -35.188 -19.515 22.882 1.00 0.00 C ATOM 762 CD2 LEU A 94 -33.404 -18.119 23.935 1.00 0.00 C ATOM 763 OXT LEU A 94 -38.248 -16.972 24.501 1.00 0.00 O ATOM 0 H LEU A 94 -34.452 -16.718 25.644 1.00 0.00 H new ATOM 0 HA LEU A 94 -36.391 -15.212 23.912 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -36.379 -17.334 22.554 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -34.819 -16.535 22.589 1.00 0.00 H new ATOM 0 HG LEU A 94 -35.346 -18.516 24.782 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -34.737 -20.412 23.307 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -36.264 -19.661 22.785 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -34.758 -19.323 21.899 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -32.952 -19.016 24.359 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -32.974 -17.926 22.952 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -33.209 -17.270 24.590 1.00 0.00 H new TER 764 LEU A 94