USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 972 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 10 GLN : amide:sc= -0.181 X(o=-0.14,f=-0.34) USER MOD Set 1.2: A 11 LYS NZ :NH3+ -168:sc= 0.0382 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -172:sc=-0.00377 (180deg=-0.11) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.114 (180deg=-0.542) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 12 GLN : amide:sc= -1.59 K(o=-1.6,f=-7!) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 17 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.0072) USER MOD Single : A 25 MET CE :methyl -139:sc= -1.58 (180deg=-4.55!) USER MOD Single : A 32 CYS SG : rot 167:sc= -1.9! USER MOD Single : A 33 GLN : amide:sc= -0.515 K(o=-0.51,f=-2.1) USER MOD Single : A 34 TYR OH : rot -74:sc= 0.778 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.71 K(o=-1.7,f=-7.3!) USER MOD Single : A 53 HIS : no HD1:sc= -0.565 K(o=-0.56,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -168:sc= 0.179 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.00766 K(o=0.0077,f=-2.2!) USER MOD Single : A 79 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot -81:sc= 0.452 USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.422 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0217 F(o=-0.94,f=-0.022) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 0.663 (180deg=0.515) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.907 F(o=-1.9!,f=-0.91) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= -0.771 (180deg=-3.09!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -132:sc= -0.642 (180deg=-2.27!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.392 0.148 -0.469 1.00 0.00 N ATOM 2 CA MET A 1 1.374 -0.228 0.576 1.00 0.00 C ATOM 3 C MET A 1 2.128 -1.488 0.115 1.00 0.00 C ATOM 4 O MET A 1 3.263 -1.404 -0.366 1.00 0.00 O ATOM 5 CB MET A 1 0.663 -0.448 1.944 1.00 0.00 C ATOM 6 CG MET A 1 -0.118 0.767 2.469 1.00 0.00 C ATOM 7 SD MET A 1 -0.896 0.463 4.073 1.00 0.00 S ATOM 8 CE MET A 1 -1.972 -0.934 3.719 1.00 0.00 C ATOM 0 H1 MET A 1 -0.028 1.070 -0.235 1.00 0.00 H new ATOM 0 H2 MET A 1 0.871 0.210 -1.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.357 -0.572 -0.516 1.00 0.00 H new ATOM 0 HA MET A 1 2.093 0.579 0.720 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.023 -1.290 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.411 -0.729 2.685 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.558 1.618 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.885 1.040 1.745 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.727 -1.019 4.501 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.461 -0.782 2.757 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.381 -1.849 3.685 1.00 0.00 H new ATOM 20 N ASN A 2 1.468 -2.653 0.249 1.00 0.00 N ATOM 21 CA ASN A 2 1.946 -3.952 -0.273 1.00 0.00 C ATOM 22 C ASN A 2 0.721 -4.754 -0.752 1.00 0.00 C ATOM 23 O ASN A 2 0.771 -5.978 -0.829 1.00 0.00 O ATOM 24 CB ASN A 2 2.699 -4.754 0.835 1.00 0.00 C ATOM 25 CG ASN A 2 4.048 -4.159 1.262 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.085 -4.458 0.677 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.042 -3.329 2.299 1.00 0.00 N ATOM 0 H ASN A 2 0.572 -2.722 0.731 1.00 0.00 H new ATOM 0 HA ASN A 2 2.641 -3.781 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.056 -4.824 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 2 2.864 -5.771 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.916 -2.920 2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.163 -3.100 2.764 1.00 0.00 H new ATOM 34 N SER A 3 -0.348 -4.017 -1.118 1.00 0.00 N ATOM 35 CA SER A 3 -1.726 -4.531 -1.275 1.00 0.00 C ATOM 36 C SER A 3 -1.831 -5.763 -2.191 1.00 0.00 C ATOM 37 O SER A 3 -2.350 -6.792 -1.782 1.00 0.00 O ATOM 38 CB SER A 3 -2.622 -3.393 -1.797 1.00 0.00 C ATOM 39 OG SER A 3 -2.540 -2.265 -0.941 1.00 0.00 O ATOM 0 H SER A 3 -0.275 -3.020 -1.318 1.00 0.00 H new ATOM 0 HA SER A 3 -2.059 -4.870 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.316 -3.115 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.655 -3.735 -1.860 1.00 0.00 H new ATOM 0 HG SER A 3 -3.113 -1.550 -1.287 1.00 0.00 H new ATOM 45 N GLU A 4 -1.292 -5.654 -3.409 1.00 0.00 N ATOM 46 CA GLU A 4 -1.361 -6.738 -4.427 1.00 0.00 C ATOM 47 C GLU A 4 -0.527 -7.979 -4.032 1.00 0.00 C ATOM 48 O GLU A 4 -0.627 -9.030 -4.676 1.00 0.00 O ATOM 49 CB GLU A 4 -0.922 -6.212 -5.822 1.00 0.00 C ATOM 50 CG GLU A 4 0.560 -5.762 -5.948 1.00 0.00 C ATOM 51 CD GLU A 4 0.876 -4.428 -5.241 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.619 -3.362 -5.840 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.359 -4.435 -4.087 1.00 0.00 O ATOM 0 H GLU A 4 -0.796 -4.822 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.403 -7.055 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.106 -6.995 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.560 -5.369 -6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.201 -6.541 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.812 -5.669 -7.004 1.00 0.00 H new ATOM 60 N ILE A 5 0.317 -7.834 -2.999 1.00 0.00 N ATOM 61 CA ILE A 5 1.115 -8.936 -2.424 1.00 0.00 C ATOM 62 C ILE A 5 0.410 -9.497 -1.153 1.00 0.00 C ATOM 63 O ILE A 5 0.528 -10.684 -0.827 1.00 0.00 O ATOM 64 CB ILE A 5 2.569 -8.446 -2.060 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.176 -7.533 -3.180 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.502 -9.640 -1.760 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.285 -8.167 -4.559 1.00 0.00 C ATOM 0 H ILE A 5 0.469 -6.940 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 5 1.195 -9.727 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 5 2.486 -7.843 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.566 -6.634 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.171 -7.216 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.497 -9.271 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.106 -10.209 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.562 -10.284 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.717 -7.449 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.923 -9.049 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.293 -8.457 -4.905 1.00 0.00 H new ATOM 79 N GLU A 6 -0.324 -8.605 -0.447 1.00 0.00 N ATOM 80 CA GLU A 6 -1.153 -8.957 0.735 1.00 0.00 C ATOM 81 C GLU A 6 -2.394 -9.763 0.307 1.00 0.00 C ATOM 82 O GLU A 6 -2.810 -10.689 0.992 1.00 0.00 O ATOM 83 CB GLU A 6 -1.624 -7.660 1.467 1.00 0.00 C ATOM 84 CG GLU A 6 -0.494 -6.848 2.132 1.00 0.00 C ATOM 85 CD GLU A 6 -0.971 -5.524 2.768 1.00 0.00 C ATOM 86 OE1 GLU A 6 -1.635 -5.567 3.829 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.681 -4.429 2.217 1.00 0.00 O ATOM 0 H GLU A 6 -0.359 -7.613 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.543 -9.561 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.138 -7.021 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.353 -7.934 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.023 -7.461 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.270 -6.628 1.387 1.00 0.00 H new ATOM 94 N LEU A 7 -2.925 -9.398 -0.862 1.00 0.00 N ATOM 95 CA LEU A 7 -4.237 -9.842 -1.378 1.00 0.00 C ATOM 96 C LEU A 7 -4.275 -11.362 -1.678 1.00 0.00 C ATOM 97 O LEU A 7 -5.255 -12.008 -1.290 1.00 0.00 O ATOM 98 CB LEU A 7 -4.649 -8.980 -2.631 1.00 0.00 C ATOM 99 CG LEU A 7 -5.766 -7.917 -2.414 1.00 0.00 C ATOM 100 CD1 LEU A 7 -7.151 -8.580 -2.287 1.00 0.00 C ATOM 101 CD2 LEU A 7 -5.473 -7.014 -1.198 1.00 0.00 C ATOM 0 H LEU A 7 -2.444 -8.765 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.975 -9.678 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.760 -8.468 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.975 -9.659 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.776 -7.279 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.910 -7.812 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.373 -9.136 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.151 -9.262 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.277 -6.287 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.405 -7.626 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.530 -6.490 -1.353 1.00 0.00 H new ATOM 113 N PRO A 8 -3.245 -11.972 -2.385 1.00 0.00 N ATOM 114 CA PRO A 8 -3.168 -13.439 -2.526 1.00 0.00 C ATOM 115 C PRO A 8 -3.185 -14.134 -1.161 1.00 0.00 C ATOM 116 O PRO A 8 -4.116 -14.873 -0.845 1.00 0.00 O ATOM 117 CB PRO A 8 -1.833 -13.688 -3.310 1.00 0.00 C ATOM 118 CG PRO A 8 -1.084 -12.394 -3.231 1.00 0.00 C ATOM 119 CD PRO A 8 -2.143 -11.318 -3.142 1.00 0.00 C ATOM 0 HA PRO A 8 -4.026 -13.854 -3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.261 -14.502 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.030 -13.966 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.429 -12.373 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.453 -12.252 -4.108 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.772 -10.433 -2.625 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.472 -10.996 -4.130 1.00 0.00 H new ATOM 127 N VAL A 9 -2.209 -13.765 -0.333 1.00 0.00 N ATOM 128 CA VAL A 9 -1.937 -14.395 0.966 1.00 0.00 C ATOM 129 C VAL A 9 -3.150 -14.306 1.933 1.00 0.00 C ATOM 130 O VAL A 9 -3.421 -15.239 2.702 1.00 0.00 O ATOM 131 CB VAL A 9 -0.654 -13.720 1.576 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.290 -14.301 2.955 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.529 -13.837 0.581 1.00 0.00 C ATOM 0 H VAL A 9 -1.568 -13.002 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.762 -15.461 0.819 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.874 -12.665 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.602 -13.804 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.117 -14.142 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.097 -15.370 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.414 -13.367 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.736 -14.889 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.270 -13.337 -0.352 1.00 0.00 H new ATOM 143 N GLN A 10 -3.905 -13.202 1.824 1.00 0.00 N ATOM 144 CA GLN A 10 -5.092 -12.938 2.665 1.00 0.00 C ATOM 145 C GLN A 10 -6.232 -13.909 2.301 1.00 0.00 C ATOM 146 O GLN A 10 -6.716 -14.655 3.158 1.00 0.00 O ATOM 147 CB GLN A 10 -5.527 -11.446 2.494 1.00 0.00 C ATOM 148 CG GLN A 10 -6.592 -10.906 3.491 1.00 0.00 C ATOM 149 CD GLN A 10 -8.048 -11.260 3.157 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.716 -10.541 2.422 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.557 -12.345 3.713 1.00 0.00 N ATOM 0 H GLN A 10 -3.712 -12.462 1.149 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.845 -13.105 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.637 -10.821 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.913 -11.319 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.362 -11.290 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.502 -9.821 3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.979 -12.926 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.528 -12.602 3.535 1.00 0.00 H new ATOM 160 N LYS A 11 -6.613 -13.913 1.011 1.00 0.00 N ATOM 161 CA LYS A 11 -7.769 -14.689 0.504 1.00 0.00 C ATOM 162 C LYS A 11 -7.520 -16.206 0.613 1.00 0.00 C ATOM 163 O LYS A 11 -8.439 -16.985 0.887 1.00 0.00 O ATOM 164 CB LYS A 11 -8.062 -14.306 -0.966 1.00 0.00 C ATOM 165 CG LYS A 11 -8.366 -12.810 -1.208 1.00 0.00 C ATOM 166 CD LYS A 11 -9.582 -12.309 -0.407 1.00 0.00 C ATOM 167 CE LYS A 11 -9.920 -10.834 -0.672 1.00 0.00 C ATOM 168 NZ LYS A 11 -11.001 -10.360 0.226 1.00 0.00 N ATOM 0 H LYS A 11 -6.131 -13.380 0.287 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.633 -14.444 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.205 -14.589 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.911 -14.894 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.491 -12.218 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.546 -12.648 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.448 -12.923 -0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.388 -12.444 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.029 -10.223 -0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.226 -10.710 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.348 -9.437 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.783 -11.046 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.632 -10.264 1.193 1.00 0.00 H new ATOM 182 N GLN A 12 -6.253 -16.588 0.400 1.00 0.00 N ATOM 183 CA GLN A 12 -5.790 -17.980 0.484 1.00 0.00 C ATOM 184 C GLN A 12 -5.910 -18.530 1.910 1.00 0.00 C ATOM 185 O GLN A 12 -6.262 -19.691 2.093 1.00 0.00 O ATOM 186 CB GLN A 12 -4.322 -18.078 0.021 1.00 0.00 C ATOM 187 CG GLN A 12 -4.120 -17.884 -1.493 1.00 0.00 C ATOM 188 CD GLN A 12 -2.665 -17.675 -1.889 1.00 0.00 C ATOM 189 OE1 GLN A 12 -2.384 -16.978 -2.858 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.731 -18.301 -1.168 1.00 0.00 N ATOM 0 H GLN A 12 -5.511 -15.930 0.161 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.426 -18.578 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.735 -17.329 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.928 -19.053 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.510 -18.756 -2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.705 -17.025 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.002 -18.873 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.746 -18.207 -1.417 1.00 0.00 H new ATOM 199 N LEU A 13 -5.595 -17.681 2.904 1.00 0.00 N ATOM 200 CA LEU A 13 -5.647 -18.058 4.329 1.00 0.00 C ATOM 201 C LEU A 13 -7.056 -18.503 4.718 1.00 0.00 C ATOM 202 O LEU A 13 -7.253 -19.594 5.277 1.00 0.00 O ATOM 203 CB LEU A 13 -5.232 -16.871 5.226 1.00 0.00 C ATOM 204 CG LEU A 13 -5.209 -17.186 6.747 1.00 0.00 C ATOM 205 CD1 LEU A 13 -4.156 -18.253 7.062 1.00 0.00 C ATOM 206 CD2 LEU A 13 -5.031 -15.914 7.589 1.00 0.00 C ATOM 0 H LEU A 13 -5.298 -16.718 2.744 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.951 -18.883 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.241 -16.533 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.918 -16.043 5.050 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.179 -17.598 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.156 -18.459 8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.390 -19.167 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.172 -17.893 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.020 -16.176 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.090 -15.432 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.857 -15.230 7.394 1.00 0.00 H new ATOM 218 N GLU A 14 -8.017 -17.626 4.395 1.00 0.00 N ATOM 219 CA GLU A 14 -9.453 -17.860 4.613 1.00 0.00 C ATOM 220 C GLU A 14 -9.877 -19.170 3.943 1.00 0.00 C ATOM 221 O GLU A 14 -10.493 -20.025 4.572 1.00 0.00 O ATOM 222 CB GLU A 14 -10.276 -16.668 4.053 1.00 0.00 C ATOM 223 CG GLU A 14 -9.770 -15.278 4.499 1.00 0.00 C ATOM 224 CD GLU A 14 -9.659 -15.114 6.027 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.705 -14.921 6.688 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.533 -15.200 6.579 1.00 0.00 O ATOM 0 H GLU A 14 -7.817 -16.721 3.969 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.644 -17.940 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.264 -16.713 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.314 -16.781 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.792 -15.098 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.444 -14.515 4.110 1.00 0.00 H new ATOM 233 N ALA A 15 -9.440 -19.328 2.686 1.00 0.00 N ATOM 234 CA ALA A 15 -9.748 -20.491 1.841 1.00 0.00 C ATOM 235 C ALA A 15 -9.126 -21.797 2.390 1.00 0.00 C ATOM 236 O ALA A 15 -9.693 -22.875 2.219 1.00 0.00 O ATOM 237 CB ALA A 15 -9.262 -20.219 0.408 1.00 0.00 C ATOM 0 H ALA A 15 -8.851 -18.638 2.219 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.828 -20.635 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.488 -21.079 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.767 -19.337 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.186 -20.048 0.415 1.00 0.00 H new ATOM 243 N TYR A 16 -7.968 -21.681 3.071 1.00 0.00 N ATOM 244 CA TYR A 16 -7.200 -22.844 3.564 1.00 0.00 C ATOM 245 C TYR A 16 -7.965 -23.553 4.701 1.00 0.00 C ATOM 246 O TYR A 16 -8.152 -24.776 4.667 1.00 0.00 O ATOM 247 CB TYR A 16 -5.791 -22.391 4.033 1.00 0.00 C ATOM 248 CG TYR A 16 -4.866 -23.527 4.516 1.00 0.00 C ATOM 249 CD1 TYR A 16 -4.463 -24.550 3.650 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.380 -23.567 5.829 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.622 -25.564 4.074 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.539 -24.582 6.254 1.00 0.00 C ATOM 253 CZ TYR A 16 -3.162 -25.575 5.373 1.00 0.00 C ATOM 254 OH TYR A 16 -2.316 -26.584 5.796 1.00 0.00 O ATOM 0 H TYR A 16 -7.540 -20.783 3.294 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.076 -23.558 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.301 -21.870 3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.909 -21.670 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.816 -24.548 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.667 -22.791 6.524 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.327 -26.345 3.389 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.179 -24.596 7.272 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.084 -26.443 6.738 1.00 0.00 H new ATOM 264 N ASN A 17 -8.438 -22.757 5.681 1.00 0.00 N ATOM 265 CA ASN A 17 -9.197 -23.279 6.839 1.00 0.00 C ATOM 266 C ASN A 17 -10.687 -23.490 6.479 1.00 0.00 C ATOM 267 O ASN A 17 -11.391 -24.238 7.163 1.00 0.00 O ATOM 268 CB ASN A 17 -9.040 -22.347 8.077 1.00 0.00 C ATOM 269 CG ASN A 17 -9.680 -20.961 7.911 1.00 0.00 C ATOM 270 OD1 ASN A 17 -10.863 -20.778 8.194 1.00 0.00 O ATOM 271 ND2 ASN A 17 -8.901 -19.974 7.479 1.00 0.00 N ATOM 0 H ASN A 17 -8.308 -21.745 5.695 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.780 -24.251 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.483 -22.837 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.978 -22.221 8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.281 -19.033 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.924 -20.158 7.252 1.00 0.00 H new ATOM 278 N ALA A 18 -11.159 -22.822 5.400 1.00 0.00 N ATOM 279 CA ALA A 18 -12.552 -22.960 4.896 1.00 0.00 C ATOM 280 C ALA A 18 -12.693 -24.117 3.893 1.00 0.00 C ATOM 281 O ALA A 18 -13.803 -24.393 3.416 1.00 0.00 O ATOM 282 CB ALA A 18 -13.023 -21.648 4.252 1.00 0.00 C ATOM 0 H ALA A 18 -10.590 -22.174 4.854 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.183 -23.188 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.044 -21.767 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.992 -20.848 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.368 -21.397 3.418 1.00 0.00 H new ATOM 288 N ARG A 19 -11.547 -24.767 3.571 1.00 0.00 N ATOM 289 CA ARG A 19 -11.468 -25.954 2.685 1.00 0.00 C ATOM 290 C ARG A 19 -11.811 -25.607 1.205 1.00 0.00 C ATOM 291 O ARG A 19 -12.134 -26.492 0.401 1.00 0.00 O ATOM 292 CB ARG A 19 -12.347 -27.127 3.225 1.00 0.00 C ATOM 293 CG ARG A 19 -12.017 -27.593 4.666 1.00 0.00 C ATOM 294 CD ARG A 19 -10.588 -28.151 4.822 1.00 0.00 C ATOM 295 NE ARG A 19 -10.363 -28.691 6.182 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.036 -29.967 6.469 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.871 -30.861 5.500 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.886 -30.347 7.727 1.00 0.00 N ATOM 0 H ARG A 19 -10.636 -24.475 3.926 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.432 -26.291 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.393 -26.821 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.241 -27.978 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.147 -26.754 5.349 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.732 -28.360 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.420 -28.936 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.864 -27.362 4.618 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.464 -28.045 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.992 -30.585 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.624 -31.823 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.018 -29.674 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.639 -31.313 7.942 1.00 0.00 H new ATOM 312 N ASP A 20 -11.686 -24.319 0.855 1.00 0.00 N ATOM 313 CA ASP A 20 -11.856 -23.820 -0.522 1.00 0.00 C ATOM 314 C ASP A 20 -10.515 -23.840 -1.271 1.00 0.00 C ATOM 315 O ASP A 20 -9.537 -23.250 -0.817 1.00 0.00 O ATOM 316 CB ASP A 20 -12.442 -22.386 -0.509 1.00 0.00 C ATOM 317 CG ASP A 20 -13.917 -22.355 -0.081 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.805 -22.566 -0.944 1.00 0.00 O ATOM 319 OD2 ASP A 20 -14.206 -22.135 1.113 1.00 0.00 O ATOM 0 H ASP A 20 -11.462 -23.584 1.526 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.554 -24.477 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.857 -21.765 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.347 -21.949 -1.503 1.00 0.00 H new ATOM 324 N ILE A 21 -10.486 -24.543 -2.412 1.00 0.00 N ATOM 325 CA ILE A 21 -9.310 -24.596 -3.308 1.00 0.00 C ATOM 326 C ILE A 21 -9.336 -23.425 -4.314 1.00 0.00 C ATOM 327 O ILE A 21 -8.281 -22.951 -4.724 1.00 0.00 O ATOM 328 CB ILE A 21 -9.223 -26.002 -4.052 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.632 -27.092 -3.101 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.426 -25.951 -5.390 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.176 -26.867 -2.717 1.00 0.00 C ATOM 0 H ILE A 21 -11.277 -25.094 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.412 -24.491 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.246 -26.269 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.233 -27.129 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.722 -28.065 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.408 -26.943 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.906 -25.251 -6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.405 -25.623 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.846 -27.669 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.559 -26.861 -3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.079 -25.910 -2.204 1.00 0.00 H new ATOM 343 N ASP A 22 -10.544 -22.936 -4.658 1.00 0.00 N ATOM 344 CA ASP A 22 -10.745 -21.959 -5.755 1.00 0.00 C ATOM 345 C ASP A 22 -9.961 -20.654 -5.516 1.00 0.00 C ATOM 346 O ASP A 22 -9.253 -20.185 -6.408 1.00 0.00 O ATOM 347 CB ASP A 22 -12.250 -21.646 -5.928 1.00 0.00 C ATOM 348 CG ASP A 22 -13.085 -22.906 -6.193 1.00 0.00 C ATOM 349 OD1 ASP A 22 -13.507 -23.559 -5.214 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.299 -23.260 -7.377 1.00 0.00 O ATOM 0 H ASP A 22 -11.408 -23.204 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.362 -22.414 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.620 -21.151 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.380 -20.947 -6.754 1.00 0.00 H new ATOM 355 N ALA A 23 -10.061 -20.106 -4.295 1.00 0.00 N ATOM 356 CA ALA A 23 -9.308 -18.890 -3.887 1.00 0.00 C ATOM 357 C ALA A 23 -7.859 -19.247 -3.521 1.00 0.00 C ATOM 358 O ALA A 23 -6.930 -18.465 -3.758 1.00 0.00 O ATOM 359 CB ALA A 23 -10.017 -18.193 -2.713 1.00 0.00 C ATOM 0 H ALA A 23 -10.660 -20.484 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.280 -18.199 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.455 -17.305 -2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.023 -17.904 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.075 -18.876 -1.866 1.00 0.00 H new ATOM 365 N PHE A 24 -7.683 -20.464 -2.977 1.00 0.00 N ATOM 366 CA PHE A 24 -6.366 -20.995 -2.572 1.00 0.00 C ATOM 367 C PHE A 24 -5.514 -21.384 -3.813 1.00 0.00 C ATOM 368 O PHE A 24 -4.358 -21.778 -3.675 1.00 0.00 O ATOM 369 CB PHE A 24 -6.551 -22.200 -1.607 1.00 0.00 C ATOM 370 CG PHE A 24 -5.292 -22.575 -0.821 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.779 -21.704 0.136 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.608 -23.768 -1.048 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.630 -22.006 0.838 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.457 -24.065 -0.345 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.968 -23.188 0.597 1.00 0.00 C ATOM 0 H PHE A 24 -8.452 -21.111 -2.804 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.822 -20.213 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.349 -21.967 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.877 -23.066 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.290 -20.773 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.982 -24.467 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.251 -21.315 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.937 -24.992 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.068 -23.427 1.145 1.00 0.00 H new ATOM 385 N MET A 25 -6.124 -21.332 -5.020 1.00 0.00 N ATOM 386 CA MET A 25 -5.422 -21.593 -6.298 1.00 0.00 C ATOM 387 C MET A 25 -5.411 -20.351 -7.211 1.00 0.00 C ATOM 388 O MET A 25 -4.437 -20.134 -7.949 1.00 0.00 O ATOM 389 CB MET A 25 -6.077 -22.784 -7.050 1.00 0.00 C ATOM 390 CG MET A 25 -5.392 -23.196 -8.376 1.00 0.00 C ATOM 391 SD MET A 25 -3.914 -24.231 -8.169 1.00 0.00 S ATOM 392 CE MET A 25 -2.658 -23.164 -7.455 1.00 0.00 C ATOM 0 H MET A 25 -7.113 -21.109 -5.135 1.00 0.00 H new ATOM 0 HA MET A 25 -4.390 -21.843 -6.050 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.090 -23.647 -6.385 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.115 -22.530 -7.262 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.113 -23.734 -8.991 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.115 -22.295 -8.923 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.696 -23.369 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.929 -22.121 -7.622 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.586 -23.353 -6.384 1.00 0.00 H new ATOM 402 N ALA A 26 -6.494 -19.549 -7.156 1.00 0.00 N ATOM 403 CA ALA A 26 -6.714 -18.408 -8.084 1.00 0.00 C ATOM 404 C ALA A 26 -5.558 -17.402 -8.044 1.00 0.00 C ATOM 405 O ALA A 26 -4.998 -17.037 -9.077 1.00 0.00 O ATOM 406 CB ALA A 26 -8.037 -17.692 -7.758 1.00 0.00 C ATOM 0 H ALA A 26 -7.241 -19.669 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.764 -18.822 -9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.180 -16.860 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.865 -18.394 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.004 -17.314 -6.736 1.00 0.00 H new ATOM 412 N TRP A 27 -5.176 -17.022 -6.823 1.00 0.00 N ATOM 413 CA TRP A 27 -4.183 -15.970 -6.569 1.00 0.00 C ATOM 414 C TRP A 27 -2.731 -16.432 -6.812 1.00 0.00 C ATOM 415 O TRP A 27 -1.792 -15.650 -6.627 1.00 0.00 O ATOM 416 CB TRP A 27 -4.356 -15.487 -5.128 1.00 0.00 C ATOM 417 CG TRP A 27 -5.646 -14.746 -4.873 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.800 -15.243 -4.344 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.891 -13.357 -5.139 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.739 -14.254 -4.263 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.207 -13.087 -4.745 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.116 -12.315 -5.672 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.775 -11.823 -4.858 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.681 -11.060 -5.786 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.001 -10.823 -5.380 1.00 0.00 C ATOM 0 H TRP A 27 -5.551 -17.440 -5.971 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.359 -15.160 -7.277 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.306 -16.347 -4.460 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.520 -14.836 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.950 -16.267 -4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.686 -14.367 -3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.098 -12.491 -5.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.792 -11.637 -4.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.096 -10.249 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.416 -9.831 -5.481 1.00 0.00 H new ATOM 436 N TRP A 28 -2.562 -17.698 -7.198 1.00 0.00 N ATOM 437 CA TRP A 28 -1.265 -18.259 -7.601 1.00 0.00 C ATOM 438 C TRP A 28 -1.122 -18.103 -9.120 1.00 0.00 C ATOM 439 O TRP A 28 -2.123 -18.086 -9.849 1.00 0.00 O ATOM 440 CB TRP A 28 -1.171 -19.757 -7.194 1.00 0.00 C ATOM 441 CG TRP A 28 -1.335 -20.021 -5.706 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.396 -19.673 -4.916 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.429 -20.731 -4.843 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.189 -20.099 -3.636 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.997 -20.744 -3.559 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.801 -21.351 -5.031 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.374 -21.342 -2.468 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.418 -21.949 -3.950 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.832 -21.942 -2.681 1.00 0.00 C ATOM 0 H TRP A 28 -3.327 -18.371 -7.241 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.457 -17.728 -7.098 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.935 -20.315 -7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.205 -20.147 -7.514 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.271 -19.139 -5.256 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.831 -19.955 -2.857 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.266 -21.365 -6.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.829 -21.331 -1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.374 -22.432 -4.088 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.342 -22.419 -1.857 1.00 0.00 H new ATOM 460 N ALA A 29 0.119 -17.947 -9.587 1.00 0.00 N ATOM 461 CA ALA A 29 0.430 -17.863 -11.024 1.00 0.00 C ATOM 462 C ALA A 29 0.349 -19.251 -11.678 1.00 0.00 C ATOM 463 O ALA A 29 0.531 -20.271 -11.010 1.00 0.00 O ATOM 464 CB ALA A 29 1.820 -17.245 -11.239 1.00 0.00 C ATOM 0 H ALA A 29 0.939 -17.875 -8.984 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.310 -17.218 -11.498 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.033 -17.191 -12.307 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.842 -16.242 -10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.573 -17.863 -10.750 1.00 0.00 H new ATOM 470 N ASP A 30 0.096 -19.268 -12.997 1.00 0.00 N ATOM 471 CA ASP A 30 0.020 -20.512 -13.798 1.00 0.00 C ATOM 472 C ASP A 30 1.394 -21.225 -13.866 1.00 0.00 C ATOM 473 O ASP A 30 1.464 -22.438 -14.057 1.00 0.00 O ATOM 474 CB ASP A 30 -0.499 -20.172 -15.219 1.00 0.00 C ATOM 475 CG ASP A 30 -0.654 -21.398 -16.141 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.668 -22.120 -16.022 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.235 -21.640 -16.989 1.00 0.00 O ATOM 0 H ASP A 30 -0.063 -18.421 -13.543 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.674 -21.200 -13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.463 -19.672 -15.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.186 -19.464 -15.685 1.00 0.00 H new ATOM 482 N ASP A 31 2.472 -20.444 -13.687 1.00 0.00 N ATOM 483 CA ASP A 31 3.871 -20.926 -13.738 1.00 0.00 C ATOM 484 C ASP A 31 4.466 -21.026 -12.300 1.00 0.00 C ATOM 485 O ASP A 31 5.688 -21.081 -12.125 1.00 0.00 O ATOM 486 CB ASP A 31 4.682 -19.944 -14.640 1.00 0.00 C ATOM 487 CG ASP A 31 6.114 -20.416 -14.964 1.00 0.00 C ATOM 488 OD1 ASP A 31 6.272 -21.330 -15.801 1.00 0.00 O ATOM 489 OD2 ASP A 31 7.086 -19.869 -14.394 1.00 0.00 O ATOM 0 H ASP A 31 2.400 -19.444 -13.500 1.00 0.00 H new ATOM 0 HA ASP A 31 3.920 -21.928 -14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.141 -19.796 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.735 -18.974 -14.145 1.00 0.00 H new ATOM 494 N CYS A 32 3.579 -21.071 -11.272 1.00 0.00 N ATOM 495 CA CYS A 32 3.995 -21.030 -9.852 1.00 0.00 C ATOM 496 C CYS A 32 4.911 -22.214 -9.474 1.00 0.00 C ATOM 497 O CYS A 32 4.493 -23.378 -9.495 1.00 0.00 O ATOM 498 CB CYS A 32 2.784 -20.994 -8.906 1.00 0.00 C ATOM 499 SG CYS A 32 3.246 -20.873 -7.160 1.00 0.00 S ATOM 0 H CYS A 32 2.570 -21.136 -11.405 1.00 0.00 H new ATOM 0 HA CYS A 32 4.564 -20.108 -9.734 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.152 -20.145 -9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.187 -21.894 -9.056 1.00 0.00 H new ATOM 0 HG CYS A 32 2.197 -20.570 -6.454 1.00 0.00 H new ATOM 505 N GLN A 33 6.168 -21.884 -9.131 1.00 0.00 N ATOM 506 CA GLN A 33 7.212 -22.864 -8.806 1.00 0.00 C ATOM 507 C GLN A 33 7.238 -23.125 -7.294 1.00 0.00 C ATOM 508 O GLN A 33 7.750 -22.318 -6.510 1.00 0.00 O ATOM 509 CB GLN A 33 8.567 -22.337 -9.340 1.00 0.00 C ATOM 510 CG GLN A 33 8.571 -22.184 -10.872 1.00 0.00 C ATOM 511 CD GLN A 33 8.470 -23.520 -11.616 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.001 -24.538 -11.171 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.758 -23.540 -12.728 1.00 0.00 N ATOM 0 H GLN A 33 6.489 -20.918 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 33 7.005 -23.821 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.786 -21.373 -8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.363 -23.020 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.738 -21.547 -11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.485 -21.675 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.329 -22.682 -13.074 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.637 -24.414 -13.241 1.00 0.00 H new ATOM 522 N TYR A 34 6.669 -24.272 -6.924 1.00 0.00 N ATOM 523 CA TYR A 34 6.438 -24.692 -5.545 1.00 0.00 C ATOM 524 C TYR A 34 7.567 -25.627 -5.077 1.00 0.00 C ATOM 525 O TYR A 34 7.701 -26.761 -5.567 1.00 0.00 O ATOM 526 CB TYR A 34 5.048 -25.377 -5.473 1.00 0.00 C ATOM 527 CG TYR A 34 4.663 -25.995 -4.120 1.00 0.00 C ATOM 528 CD1 TYR A 34 4.343 -25.200 -3.012 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.599 -27.384 -3.957 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.980 -25.773 -1.803 1.00 0.00 C ATOM 531 CE2 TYR A 34 4.234 -27.952 -2.759 1.00 0.00 C ATOM 532 CZ TYR A 34 3.925 -27.149 -1.684 1.00 0.00 C ATOM 533 OH TYR A 34 3.554 -27.731 -0.487 1.00 0.00 O ATOM 0 H TYR A 34 6.344 -24.959 -7.604 1.00 0.00 H new ATOM 0 HA TYR A 34 6.443 -23.833 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.290 -24.641 -5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 34 5.013 -26.161 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.380 -24.124 -3.101 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.842 -28.025 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.741 -25.146 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.190 -29.027 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 34 4.289 -27.653 0.156 1.00 0.00 H new ATOM 543 N TYR A 35 8.380 -25.117 -4.138 1.00 0.00 N ATOM 544 CA TYR A 35 9.461 -25.859 -3.483 1.00 0.00 C ATOM 545 C TYR A 35 9.124 -26.112 -2.010 1.00 0.00 C ATOM 546 O TYR A 35 8.326 -25.395 -1.397 1.00 0.00 O ATOM 547 CB TYR A 35 10.814 -25.105 -3.565 1.00 0.00 C ATOM 548 CG TYR A 35 11.358 -24.907 -4.985 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.811 -23.956 -5.854 1.00 0.00 C ATOM 550 CD2 TYR A 35 12.431 -25.666 -5.452 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.316 -23.775 -7.126 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.933 -25.487 -6.722 1.00 0.00 C ATOM 553 CZ TYR A 35 12.376 -24.545 -7.556 1.00 0.00 C ATOM 554 OH TYR A 35 12.892 -24.367 -8.823 1.00 0.00 O ATOM 0 H TYR A 35 8.299 -24.155 -3.808 1.00 0.00 H new ATOM 0 HA TYR A 35 9.559 -26.807 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.698 -24.128 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.554 -25.652 -2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.979 -23.353 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.876 -26.408 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.883 -23.034 -7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.764 -26.086 -7.063 1.00 0.00 H new ATOM 0 HH TYR A 35 13.636 -24.990 -8.964 1.00 0.00 H new ATOM 564 N ALA A 36 9.743 -27.165 -1.474 1.00 0.00 N ATOM 565 CA ALA A 36 9.741 -27.481 -0.047 1.00 0.00 C ATOM 566 C ALA A 36 11.168 -27.357 0.500 1.00 0.00 C ATOM 567 O ALA A 36 12.135 -27.447 -0.265 1.00 0.00 O ATOM 568 CB ALA A 36 9.196 -28.895 0.163 1.00 0.00 C ATOM 0 H ALA A 36 10.271 -27.836 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 36 9.100 -26.782 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.195 -29.130 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.178 -28.954 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.826 -29.610 -0.366 1.00 0.00 H new ATOM 574 N PHE A 37 11.269 -27.143 1.816 1.00 0.00 N ATOM 575 CA PHE A 37 12.549 -27.020 2.546 1.00 0.00 C ATOM 576 C PHE A 37 13.473 -28.264 2.335 1.00 0.00 C ATOM 577 O PHE A 37 12.983 -29.399 2.392 1.00 0.00 O ATOM 578 CB PHE A 37 12.262 -26.801 4.066 1.00 0.00 C ATOM 579 CG PHE A 37 11.537 -27.959 4.770 1.00 0.00 C ATOM 580 CD1 PHE A 37 10.189 -28.225 4.519 1.00 0.00 C ATOM 581 CD2 PHE A 37 12.206 -28.788 5.677 1.00 0.00 C ATOM 582 CE1 PHE A 37 9.541 -29.273 5.143 1.00 0.00 C ATOM 583 CE2 PHE A 37 11.550 -29.837 6.303 1.00 0.00 C ATOM 584 CZ PHE A 37 10.220 -30.080 6.034 1.00 0.00 C ATOM 0 H PHE A 37 10.453 -27.048 2.420 1.00 0.00 H new ATOM 0 HA PHE A 37 13.084 -26.159 2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.209 -26.623 4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.664 -25.897 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.645 -27.601 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.249 -28.608 5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.499 -29.462 4.933 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.082 -30.465 7.003 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.710 -30.900 6.519 1.00 0.00 H new ATOM 594 N PRO A 38 14.814 -28.092 2.051 1.00 0.00 N ATOM 595 CA PRO A 38 15.456 -26.783 1.740 1.00 0.00 C ATOM 596 C PRO A 38 15.117 -26.263 0.313 1.00 0.00 C ATOM 597 O PRO A 38 14.839 -25.071 0.123 1.00 0.00 O ATOM 598 CB PRO A 38 16.973 -27.088 1.885 1.00 0.00 C ATOM 599 CG PRO A 38 17.100 -28.551 1.577 1.00 0.00 C ATOM 600 CD PRO A 38 15.822 -29.192 2.089 1.00 0.00 C ATOM 0 HA PRO A 38 15.105 -25.989 2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.565 -26.486 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.328 -26.863 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.219 -28.717 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.975 -28.979 2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.519 -30.030 1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.949 -29.580 3.100 1.00 0.00 H new ATOM 608 N ALA A 39 15.107 -27.187 -0.668 1.00 0.00 N ATOM 609 CA ALA A 39 14.884 -26.875 -2.092 1.00 0.00 C ATOM 610 C ALA A 39 14.523 -28.172 -2.837 1.00 0.00 C ATOM 611 O ALA A 39 15.409 -28.939 -3.238 1.00 0.00 O ATOM 612 CB ALA A 39 16.125 -26.195 -2.716 1.00 0.00 C ATOM 0 H ALA A 39 15.255 -28.181 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 39 14.058 -26.169 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.931 -25.977 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.336 -25.266 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.984 -26.862 -2.637 1.00 0.00 H new ATOM 618 N THR A 40 13.213 -28.449 -2.946 1.00 0.00 N ATOM 619 CA THR A 40 12.680 -29.610 -3.683 1.00 0.00 C ATOM 620 C THR A 40 11.442 -29.174 -4.462 1.00 0.00 C ATOM 621 O THR A 40 10.464 -28.753 -3.857 1.00 0.00 O ATOM 622 CB THR A 40 12.318 -30.780 -2.709 1.00 0.00 C ATOM 623 OG1 THR A 40 13.481 -31.157 -1.955 1.00 0.00 O ATOM 624 CG2 THR A 40 11.770 -32.019 -3.453 1.00 0.00 C ATOM 0 H THR A 40 12.488 -27.870 -2.523 1.00 0.00 H new ATOM 0 HA THR A 40 13.444 -29.975 -4.369 1.00 0.00 H new ATOM 0 HB THR A 40 11.532 -30.418 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.252 -31.889 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.534 -32.802 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.868 -31.745 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.521 -32.385 -4.153 1.00 0.00 H new ATOM 632 N LEU A 41 11.499 -29.262 -5.792 1.00 0.00 N ATOM 633 CA LEU A 41 10.414 -28.806 -6.676 1.00 0.00 C ATOM 634 C LEU A 41 9.330 -29.913 -6.751 1.00 0.00 C ATOM 635 O LEU A 41 9.534 -30.934 -7.417 1.00 0.00 O ATOM 636 CB LEU A 41 11.026 -28.454 -8.083 1.00 0.00 C ATOM 637 CG LEU A 41 10.296 -27.361 -8.943 1.00 0.00 C ATOM 638 CD1 LEU A 41 11.119 -26.987 -10.199 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.879 -27.783 -9.344 1.00 0.00 C ATOM 0 H LEU A 41 12.298 -29.652 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 41 9.934 -27.906 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.055 -28.128 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.066 -29.371 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 41 10.210 -26.480 -8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.585 -26.228 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.090 -26.595 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.263 -27.873 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.418 -26.993 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.925 -28.699 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.284 -27.958 -8.448 1.00 0.00 H new ATOM 651 N LEU A 42 8.195 -29.725 -6.029 1.00 0.00 N ATOM 652 CA LEU A 42 7.059 -30.687 -6.059 1.00 0.00 C ATOM 653 C LEU A 42 6.067 -30.324 -7.173 1.00 0.00 C ATOM 654 O LEU A 42 5.386 -31.211 -7.703 1.00 0.00 O ATOM 655 CB LEU A 42 6.272 -30.776 -4.706 1.00 0.00 C ATOM 656 CG LEU A 42 7.053 -31.242 -3.439 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.932 -32.480 -3.711 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.852 -30.091 -2.826 1.00 0.00 C ATOM 0 H LEU A 42 8.041 -28.920 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 42 7.513 -31.660 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.852 -29.792 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.433 -31.456 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 42 6.312 -31.554 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.454 -32.763 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.303 -33.307 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.660 -32.246 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.385 -30.447 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.568 -29.716 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.172 -29.289 -2.539 1.00 0.00 H new ATOM 670 N ALA A 43 5.964 -29.024 -7.511 1.00 0.00 N ATOM 671 CA ALA A 43 4.970 -28.545 -8.500 1.00 0.00 C ATOM 672 C ALA A 43 5.507 -27.348 -9.307 1.00 0.00 C ATOM 673 O ALA A 43 5.758 -26.292 -8.745 1.00 0.00 O ATOM 674 CB ALA A 43 3.678 -28.184 -7.762 1.00 0.00 C ATOM 0 H ALA A 43 6.551 -28.288 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 43 4.768 -29.338 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.937 -27.830 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.294 -29.065 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.882 -27.400 -7.033 1.00 0.00 H new ATOM 680 N GLY A 44 5.666 -27.529 -10.632 1.00 0.00 N ATOM 681 CA GLY A 44 6.268 -26.513 -11.521 1.00 0.00 C ATOM 682 C GLY A 44 5.243 -25.706 -12.294 1.00 0.00 C ATOM 683 O GLY A 44 5.498 -25.312 -13.440 1.00 0.00 O ATOM 0 H GLY A 44 5.382 -28.380 -11.117 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.879 -25.835 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.936 -27.008 -12.226 1.00 0.00 H new ATOM 687 N ASN A 45 4.112 -25.430 -11.624 1.00 0.00 N ATOM 688 CA ASN A 45 2.899 -24.804 -12.204 1.00 0.00 C ATOM 689 C ASN A 45 1.738 -24.909 -11.199 1.00 0.00 C ATOM 690 O ASN A 45 1.782 -25.737 -10.279 1.00 0.00 O ATOM 691 CB ASN A 45 2.459 -25.428 -13.570 1.00 0.00 C ATOM 692 CG ASN A 45 2.167 -26.923 -13.515 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.057 -27.340 -13.200 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.154 -27.741 -13.848 1.00 0.00 N ATOM 0 H ASN A 45 4.007 -25.641 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 45 3.154 -23.763 -12.404 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.568 -24.909 -13.922 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.243 -25.250 -14.306 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.003 -28.750 -13.847 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.066 -27.362 -14.105 1.00 0.00 H new ATOM 701 N ALA A 46 0.687 -24.096 -11.423 1.00 0.00 N ATOM 702 CA ALA A 46 -0.500 -24.016 -10.540 1.00 0.00 C ATOM 703 C ALA A 46 -1.294 -25.339 -10.492 1.00 0.00 C ATOM 704 O ALA A 46 -1.809 -25.710 -9.437 1.00 0.00 O ATOM 705 CB ALA A 46 -1.412 -22.863 -10.997 1.00 0.00 C ATOM 0 H ALA A 46 0.635 -23.471 -12.227 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.141 -23.826 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.284 -22.808 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.862 -21.923 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.737 -23.040 -12.022 1.00 0.00 H new ATOM 711 N ALA A 47 -1.355 -26.057 -11.631 1.00 0.00 N ATOM 712 CA ALA A 47 -2.190 -27.277 -11.779 1.00 0.00 C ATOM 713 C ALA A 47 -1.789 -28.366 -10.772 1.00 0.00 C ATOM 714 O ALA A 47 -2.644 -28.959 -10.108 1.00 0.00 O ATOM 715 CB ALA A 47 -2.085 -27.825 -13.209 1.00 0.00 C ATOM 0 H ALA A 47 -0.832 -25.814 -12.472 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.222 -26.994 -11.574 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.702 -28.719 -13.302 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.431 -27.070 -13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.047 -28.076 -13.427 1.00 0.00 H new ATOM 721 N GLU A 48 -0.470 -28.586 -10.651 1.00 0.00 N ATOM 722 CA GLU A 48 0.099 -29.615 -9.758 1.00 0.00 C ATOM 723 C GLU A 48 -0.050 -29.197 -8.278 1.00 0.00 C ATOM 724 O GLU A 48 -0.215 -30.048 -7.398 1.00 0.00 O ATOM 725 CB GLU A 48 1.584 -29.865 -10.107 1.00 0.00 C ATOM 726 CG GLU A 48 1.853 -30.186 -11.586 1.00 0.00 C ATOM 727 CD GLU A 48 3.305 -30.624 -11.843 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.180 -29.753 -12.016 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.581 -31.845 -11.846 1.00 0.00 O ATOM 0 H GLU A 48 0.233 -28.058 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.453 -30.543 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.161 -28.983 -9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.952 -30.691 -9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.176 -30.976 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.630 -29.307 -12.191 1.00 0.00 H new ATOM 736 N ILE A 49 -0.001 -27.870 -8.029 1.00 0.00 N ATOM 737 CA ILE A 49 -0.224 -27.279 -6.687 1.00 0.00 C ATOM 738 C ILE A 49 -1.680 -27.509 -6.243 1.00 0.00 C ATOM 739 O ILE A 49 -1.940 -27.796 -5.065 1.00 0.00 O ATOM 740 CB ILE A 49 0.092 -25.731 -6.685 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.572 -25.480 -7.082 1.00 0.00 C ATOM 742 CG2 ILE A 49 -0.228 -25.065 -5.323 1.00 0.00 C ATOM 743 CD1 ILE A 49 1.971 -24.025 -7.201 1.00 0.00 C ATOM 0 H ILE A 49 0.194 -27.177 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 49 0.453 -27.770 -5.988 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.559 -25.268 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.215 -25.957 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.764 -25.972 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.007 -24.002 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.286 -25.193 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.370 -25.531 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.022 -23.958 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.360 -23.541 -7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.819 -23.527 -6.244 1.00 0.00 H new ATOM 755 N ARG A 50 -2.609 -27.392 -7.213 1.00 0.00 N ATOM 756 CA ARG A 50 -4.049 -27.550 -6.974 1.00 0.00 C ATOM 757 C ARG A 50 -4.347 -28.964 -6.485 1.00 0.00 C ATOM 758 O ARG A 50 -4.850 -29.134 -5.375 1.00 0.00 O ATOM 759 CB ARG A 50 -4.846 -27.284 -8.277 1.00 0.00 C ATOM 760 CG ARG A 50 -6.377 -27.323 -8.105 1.00 0.00 C ATOM 761 CD ARG A 50 -7.123 -27.106 -9.422 1.00 0.00 C ATOM 762 NE ARG A 50 -8.585 -27.076 -9.238 1.00 0.00 N ATOM 763 CZ ARG A 50 -9.479 -26.749 -10.185 1.00 0.00 C ATOM 764 NH1 ARG A 50 -9.080 -26.368 -11.397 1.00 0.00 N ATOM 765 NH2 ARG A 50 -10.771 -26.790 -9.899 1.00 0.00 N ATOM 0 H ARG A 50 -2.377 -27.185 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.351 -26.829 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.561 -26.308 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.557 -28.024 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.667 -28.285 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.678 -26.557 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.796 -26.168 -9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.863 -27.902 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.947 -27.324 -8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.085 -26.322 -11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.770 -26.122 -12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.078 -27.068 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.459 -26.544 -10.611 1.00 0.00 H new ATOM 779 N VAL A 51 -3.938 -29.952 -7.311 1.00 0.00 N ATOM 780 CA VAL A 51 -4.165 -31.392 -7.053 1.00 0.00 C ATOM 781 C VAL A 51 -3.603 -31.797 -5.681 1.00 0.00 C ATOM 782 O VAL A 51 -4.300 -32.403 -4.864 1.00 0.00 O ATOM 783 CB VAL A 51 -3.506 -32.302 -8.163 1.00 0.00 C ATOM 784 CG1 VAL A 51 -3.795 -33.802 -7.907 1.00 0.00 C ATOM 785 CG2 VAL A 51 -3.960 -31.890 -9.584 1.00 0.00 C ATOM 0 H VAL A 51 -3.438 -29.772 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.244 -31.545 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.428 -32.151 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.328 -34.401 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.389 -34.090 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.872 -33.972 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.485 -32.539 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.043 -31.984 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.672 -30.856 -9.773 1.00 0.00 H new ATOM 795 N ARG A 52 -2.350 -31.381 -5.439 1.00 0.00 N ATOM 796 CA ARG A 52 -1.600 -31.728 -4.224 1.00 0.00 C ATOM 797 C ARG A 52 -2.305 -31.196 -2.958 1.00 0.00 C ATOM 798 O ARG A 52 -2.315 -31.854 -1.911 1.00 0.00 O ATOM 799 CB ARG A 52 -0.148 -31.185 -4.325 1.00 0.00 C ATOM 800 CG ARG A 52 0.824 -31.813 -3.310 1.00 0.00 C ATOM 801 CD ARG A 52 2.285 -31.362 -3.487 1.00 0.00 C ATOM 802 NE ARG A 52 3.195 -32.244 -2.742 1.00 0.00 N ATOM 803 CZ ARG A 52 3.864 -31.939 -1.621 1.00 0.00 C ATOM 804 NH1 ARG A 52 3.830 -30.715 -1.093 1.00 0.00 N ATOM 805 NH2 ARG A 52 4.571 -32.878 -1.028 1.00 0.00 N ATOM 0 H ARG A 52 -1.827 -30.791 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.562 -32.814 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.228 -31.365 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.163 -30.105 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.495 -31.560 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.775 -32.898 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.548 -31.370 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.399 -30.336 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 52 3.331 -33.183 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.284 -29.980 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.350 -30.513 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.603 -33.818 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.087 -32.665 -0.174 1.00 0.00 H new ATOM 819 N HIS A 53 -2.889 -29.988 -3.071 1.00 0.00 N ATOM 820 CA HIS A 53 -3.647 -29.360 -1.976 1.00 0.00 C ATOM 821 C HIS A 53 -5.067 -29.943 -1.844 1.00 0.00 C ATOM 822 O HIS A 53 -5.603 -29.947 -0.748 1.00 0.00 O ATOM 823 CB HIS A 53 -3.668 -27.819 -2.119 1.00 0.00 C ATOM 824 CG HIS A 53 -2.377 -27.158 -1.714 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.649 -26.336 -2.543 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.711 -27.174 -0.531 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.597 -25.871 -1.889 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.609 -26.367 -0.669 1.00 0.00 N ATOM 0 H HIS A 53 -2.848 -29.424 -3.920 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.127 -29.596 -1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.889 -27.562 -3.155 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.479 -27.417 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.996 -27.721 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.147 -25.198 -2.289 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.086 -26.182 0.054 1.00 0.00 H new ATOM 837 N ILE A 54 -5.674 -30.441 -2.946 1.00 0.00 N ATOM 838 CA ILE A 54 -6.990 -31.126 -2.886 1.00 0.00 C ATOM 839 C ILE A 54 -6.864 -32.383 -1.999 1.00 0.00 C ATOM 840 O ILE A 54 -7.692 -32.622 -1.113 1.00 0.00 O ATOM 841 CB ILE A 54 -7.510 -31.513 -4.328 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.777 -30.234 -5.185 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.779 -32.403 -4.275 1.00 0.00 C ATOM 844 CD1 ILE A 54 -8.066 -30.505 -6.654 1.00 0.00 C ATOM 0 H ILE A 54 -5.277 -30.383 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.721 -30.442 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.722 -32.097 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.621 -29.695 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.910 -29.577 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.098 -32.642 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.555 -33.325 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.577 -31.868 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.239 -29.561 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.214 -31.015 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.952 -31.134 -6.741 1.00 0.00 H new ATOM 856 N GLU A 55 -5.768 -33.127 -2.223 1.00 0.00 N ATOM 857 CA GLU A 55 -5.413 -34.334 -1.449 1.00 0.00 C ATOM 858 C GLU A 55 -5.099 -33.975 0.026 1.00 0.00 C ATOM 859 O GLU A 55 -5.404 -34.742 0.944 1.00 0.00 O ATOM 860 CB GLU A 55 -4.196 -35.029 -2.121 1.00 0.00 C ATOM 861 CG GLU A 55 -4.418 -35.370 -3.610 1.00 0.00 C ATOM 862 CD GLU A 55 -3.149 -35.877 -4.321 1.00 0.00 C ATOM 863 OE1 GLU A 55 -2.201 -35.082 -4.508 1.00 0.00 O ATOM 864 OE2 GLU A 55 -3.089 -37.064 -4.705 1.00 0.00 O ATOM 0 H GLU A 55 -5.093 -32.906 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.261 -35.019 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.324 -34.380 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.968 -35.946 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.196 -36.129 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.784 -34.483 -4.127 1.00 0.00 H new ATOM 871 N ARG A 56 -4.503 -32.787 0.227 1.00 0.00 N ATOM 872 CA ARG A 56 -4.186 -32.256 1.573 1.00 0.00 C ATOM 873 C ARG A 56 -5.477 -31.834 2.321 1.00 0.00 C ATOM 874 O ARG A 56 -5.543 -31.916 3.549 1.00 0.00 O ATOM 875 CB ARG A 56 -3.192 -31.063 1.452 1.00 0.00 C ATOM 876 CG ARG A 56 -2.719 -30.442 2.792 1.00 0.00 C ATOM 877 CD ARG A 56 -2.051 -31.471 3.732 1.00 0.00 C ATOM 878 NE ARG A 56 -0.909 -32.162 3.100 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.392 -33.336 3.503 1.00 0.00 C ATOM 880 NH1 ARG A 56 -0.916 -34.000 4.524 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.639 -33.850 2.855 1.00 0.00 N ATOM 0 H ARG A 56 -4.226 -32.166 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.712 -33.044 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.315 -31.400 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.663 -30.281 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.014 -29.637 2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.573 -29.995 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.710 -30.964 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.791 -32.209 4.041 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.478 -31.712 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.724 -33.622 5.017 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.511 -34.889 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.036 -33.357 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.037 -34.740 3.154 1.00 0.00 H new ATOM 895 N PHE A 57 -6.500 -31.401 1.564 1.00 0.00 N ATOM 896 CA PHE A 57 -7.809 -30.987 2.129 1.00 0.00 C ATOM 897 C PHE A 57 -8.693 -32.217 2.463 1.00 0.00 C ATOM 898 O PHE A 57 -9.776 -32.061 3.031 1.00 0.00 O ATOM 899 CB PHE A 57 -8.536 -29.992 1.160 1.00 0.00 C ATOM 900 CG PHE A 57 -7.976 -28.552 1.123 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.643 -28.263 1.441 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.790 -27.483 0.752 1.00 0.00 C ATOM 903 CE1 PHE A 57 -6.157 -26.970 1.391 1.00 0.00 C ATOM 904 CE2 PHE A 57 -8.298 -26.186 0.707 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.985 -25.931 1.025 1.00 0.00 C ATOM 0 H PHE A 57 -6.450 -31.326 0.548 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.627 -30.463 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.495 -30.403 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.588 -29.945 1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.982 -29.066 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.823 -27.667 0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.125 -26.773 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.949 -25.373 0.421 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.604 -24.921 0.988 1.00 0.00 H new ATOM 915 N LYS A 58 -8.232 -33.434 2.101 1.00 0.00 N ATOM 916 CA LYS A 58 -8.892 -34.699 2.508 1.00 0.00 C ATOM 917 C LYS A 58 -8.467 -35.130 3.932 1.00 0.00 C ATOM 918 O LYS A 58 -9.035 -36.082 4.489 1.00 0.00 O ATOM 919 CB LYS A 58 -8.595 -35.831 1.482 1.00 0.00 C ATOM 920 CG LYS A 58 -8.893 -35.452 0.013 1.00 0.00 C ATOM 921 CD LYS A 58 -10.317 -34.883 -0.190 1.00 0.00 C ATOM 922 CE LYS A 58 -10.531 -34.332 -1.605 1.00 0.00 C ATOM 923 NZ LYS A 58 -11.861 -33.696 -1.758 1.00 0.00 N ATOM 0 H LYS A 58 -7.401 -33.570 1.525 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.967 -34.518 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.546 -36.116 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.185 -36.708 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.163 -34.715 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.767 -36.333 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.049 -35.666 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.495 -34.090 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.753 -33.604 -1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.431 -35.141 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.965 -33.337 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.605 -34.397 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.948 -32.907 -1.086 1.00 0.00 H new ATOM 937 N GLU A 59 -7.466 -34.436 4.508 1.00 0.00 N ATOM 938 CA GLU A 59 -7.050 -34.639 5.911 1.00 0.00 C ATOM 939 C GLU A 59 -8.148 -34.103 6.859 1.00 0.00 C ATOM 940 O GLU A 59 -8.448 -32.906 6.821 1.00 0.00 O ATOM 941 CB GLU A 59 -5.692 -33.926 6.190 1.00 0.00 C ATOM 942 CG GLU A 59 -4.504 -34.437 5.346 1.00 0.00 C ATOM 943 CD GLU A 59 -4.198 -35.924 5.580 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.522 -36.250 6.584 1.00 0.00 O ATOM 945 OE2 GLU A 59 -4.639 -36.777 4.781 1.00 0.00 O ATOM 0 H GLU A 59 -6.926 -33.723 4.018 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.913 -35.706 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.815 -32.858 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.446 -34.044 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.721 -34.278 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.618 -33.848 5.582 1.00 0.00 H new ATOM 952 N PRO A 60 -8.773 -34.967 7.727 1.00 0.00 N ATOM 953 CA PRO A 60 -9.892 -34.538 8.608 1.00 0.00 C ATOM 954 C PRO A 60 -9.429 -33.602 9.752 1.00 0.00 C ATOM 955 O PRO A 60 -10.225 -32.827 10.296 1.00 0.00 O ATOM 956 CB PRO A 60 -10.448 -35.882 9.143 1.00 0.00 C ATOM 957 CG PRO A 60 -9.266 -36.807 9.140 1.00 0.00 C ATOM 958 CD PRO A 60 -8.446 -36.413 7.924 1.00 0.00 C ATOM 0 HA PRO A 60 -10.637 -33.944 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.861 -35.769 10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.249 -36.260 8.509 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.684 -36.704 10.056 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.583 -37.848 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.380 -36.562 8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.715 -37.007 7.050 1.00 0.00 H new ATOM 966 N ASP A 61 -8.130 -33.676 10.083 1.00 0.00 N ATOM 967 CA ASP A 61 -7.505 -32.854 11.137 1.00 0.00 C ATOM 968 C ASP A 61 -6.915 -31.552 10.569 1.00 0.00 C ATOM 969 O ASP A 61 -6.489 -30.708 11.351 1.00 0.00 O ATOM 970 CB ASP A 61 -6.398 -33.670 11.874 1.00 0.00 C ATOM 971 CG ASP A 61 -6.969 -34.760 12.803 1.00 0.00 C ATOM 972 OD1 ASP A 61 -7.502 -35.775 12.294 1.00 0.00 O ATOM 973 OD2 ASP A 61 -6.894 -34.611 14.048 1.00 0.00 O ATOM 0 H ASP A 61 -7.477 -34.312 9.625 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.285 -32.582 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.745 -34.136 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.781 -32.988 12.460 1.00 0.00 H new ATOM 978 N LEU A 62 -6.902 -31.387 9.219 1.00 0.00 N ATOM 979 CA LEU A 62 -6.271 -30.216 8.568 1.00 0.00 C ATOM 980 C LEU A 62 -6.899 -28.895 9.061 1.00 0.00 C ATOM 981 O LEU A 62 -8.059 -28.600 8.771 1.00 0.00 O ATOM 982 CB LEU A 62 -6.389 -30.272 7.024 1.00 0.00 C ATOM 983 CG LEU A 62 -5.656 -29.112 6.269 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.129 -29.327 6.264 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.212 -28.906 4.846 1.00 0.00 C ATOM 0 H LEU A 62 -7.321 -32.050 8.566 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.217 -30.250 8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.987 -31.224 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.445 -30.254 6.753 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.855 -28.191 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.648 -28.506 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.763 -29.360 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.896 -30.268 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.674 -28.092 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.083 -29.822 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.272 -28.658 4.902 1.00 0.00 H new ATOM 997 N TYR A 63 -6.113 -28.115 9.799 1.00 0.00 N ATOM 998 CA TYR A 63 -6.533 -26.814 10.325 1.00 0.00 C ATOM 999 C TYR A 63 -5.313 -25.893 10.396 1.00 0.00 C ATOM 1000 O TYR A 63 -4.354 -26.175 11.117 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.195 -27.012 11.724 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.376 -25.738 12.563 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.234 -24.711 12.158 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -6.677 -25.562 13.766 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -8.386 -23.564 12.919 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -6.829 -24.421 14.524 1.00 0.00 C ATOM 1007 CZ TYR A 63 -7.680 -23.423 14.098 1.00 0.00 C ATOM 1008 OH TYR A 63 -7.826 -22.278 14.863 1.00 0.00 O ATOM 0 H TYR A 63 -5.158 -28.368 10.052 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.272 -26.351 9.671 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.173 -27.472 11.581 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.591 -27.718 12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.787 -24.814 11.236 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.006 -26.337 14.106 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.055 -22.782 12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.283 -24.309 15.449 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.128 -22.252 15.550 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.354 -24.805 9.630 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.353 -23.755 9.717 1.00 0.00 C ATOM 1020 C GLY A 64 -4.744 -22.736 10.766 1.00 0.00 C ATOM 1021 O GLY A 64 -5.874 -22.227 10.736 1.00 0.00 O ATOM 0 H GLY A 64 -6.081 -24.631 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.384 -24.188 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.245 -23.266 8.749 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.842 -22.457 11.712 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.051 -21.425 12.738 1.00 0.00 C ATOM 1027 C GLU A 65 -2.950 -20.380 12.589 1.00 0.00 C ATOM 1028 O GLU A 65 -1.823 -20.610 13.021 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.027 -22.070 14.154 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.363 -21.108 15.316 1.00 0.00 C ATOM 1031 CD GLU A 65 -4.457 -21.816 16.687 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -5.493 -22.462 16.960 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -3.506 -21.721 17.494 1.00 0.00 O ATOM 0 H GLU A 65 -2.946 -22.939 11.790 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.023 -20.948 12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.735 -22.898 14.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.038 -22.493 14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.600 -20.331 15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.310 -20.611 15.105 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.274 -19.243 11.957 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.298 -18.178 11.701 1.00 0.00 C ATOM 1042 C LEU A 66 -2.310 -17.181 12.857 1.00 0.00 C ATOM 1043 O LEU A 66 -3.336 -16.552 13.147 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.573 -17.484 10.334 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.479 -16.452 9.836 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.286 -16.522 8.308 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.823 -15.006 10.261 1.00 0.00 C ATOM 0 H LEU A 66 -4.212 -19.038 11.612 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.302 -18.615 11.638 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.684 -18.258 9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.528 -16.964 10.401 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.541 -16.736 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.528 -15.800 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.965 -17.525 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.228 -16.290 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.050 -14.327 9.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.784 -14.720 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.878 -14.950 11.348 1.00 0.00 H new ATOM 1059 N LEU A 67 -1.159 -17.078 13.528 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.910 -16.108 14.609 1.00 0.00 C ATOM 1061 C LEU A 67 -0.145 -14.888 14.044 1.00 0.00 C ATOM 1062 O LEU A 67 -0.507 -13.730 14.294 1.00 0.00 O ATOM 1063 CB LEU A 67 -0.161 -16.754 15.855 1.00 0.00 C ATOM 1064 CG LEU A 67 0.685 -18.079 15.697 1.00 0.00 C ATOM 1065 CD1 LEU A 67 -0.193 -19.330 15.494 1.00 0.00 C ATOM 1066 CD2 LEU A 67 1.778 -17.984 14.619 1.00 0.00 C ATOM 0 H LEU A 67 -0.356 -17.676 13.334 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.875 -15.774 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.509 -15.993 16.255 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.916 -16.946 16.617 1.00 0.00 H new ATOM 0 HG LEU A 67 1.199 -18.195 16.651 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.444 -20.209 15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.850 -19.457 16.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.794 -19.210 14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.319 -18.929 14.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.319 -17.773 13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.472 -17.183 14.874 1.00 0.00 H new ATOM 1078 N THR A 68 0.906 -15.172 13.265 1.00 0.00 N ATOM 1079 CA THR A 68 1.794 -14.146 12.686 1.00 0.00 C ATOM 1080 C THR A 68 1.831 -14.228 11.144 1.00 0.00 C ATOM 1081 O THR A 68 1.839 -15.318 10.578 1.00 0.00 O ATOM 1082 CB THR A 68 3.252 -14.326 13.235 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.229 -14.366 14.670 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.196 -13.196 12.767 1.00 0.00 C ATOM 0 H THR A 68 1.169 -16.125 13.015 1.00 0.00 H new ATOM 0 HA THR A 68 1.397 -13.173 12.974 1.00 0.00 H new ATOM 0 HB THR A 68 3.636 -15.265 12.837 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.141 -14.480 15.009 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.194 -13.364 13.172 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.243 -13.189 11.678 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.818 -12.237 13.120 1.00 0.00 H new ATOM 1092 N ARG A 69 1.826 -13.055 10.486 1.00 0.00 N ATOM 1093 CA ARG A 69 2.287 -12.902 9.095 1.00 0.00 C ATOM 1094 C ARG A 69 2.989 -11.537 8.937 1.00 0.00 C ATOM 1095 O ARG A 69 2.430 -10.492 9.293 1.00 0.00 O ATOM 1096 CB ARG A 69 1.146 -13.065 8.050 1.00 0.00 C ATOM 1097 CG ARG A 69 -0.074 -12.134 8.232 1.00 0.00 C ATOM 1098 CD ARG A 69 -1.017 -12.134 7.011 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.334 -13.498 6.530 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.433 -13.853 5.857 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -3.438 -13.009 5.680 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.521 -15.079 5.370 1.00 0.00 N ATOM 0 H ARG A 69 1.501 -12.184 10.906 1.00 0.00 H new ATOM 0 HA ARG A 69 2.992 -13.708 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.562 -12.896 7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.798 -14.098 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.632 -12.443 9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.275 -11.118 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.943 -11.622 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.557 -11.566 6.202 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.654 -14.231 6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.384 -12.064 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.266 -13.304 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.756 -15.739 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.353 -15.364 4.854 1.00 0.00 H new ATOM 1116 N VAL A 70 4.237 -11.568 8.447 1.00 0.00 N ATOM 1117 CA VAL A 70 5.028 -10.364 8.127 1.00 0.00 C ATOM 1118 C VAL A 70 5.189 -10.265 6.597 1.00 0.00 C ATOM 1119 O VAL A 70 5.154 -11.291 5.902 1.00 0.00 O ATOM 1120 CB VAL A 70 6.442 -10.402 8.833 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.287 -10.560 10.364 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.352 -11.514 8.261 1.00 0.00 C ATOM 0 H VAL A 70 4.734 -12.439 8.259 1.00 0.00 H new ATOM 0 HA VAL A 70 4.503 -9.484 8.500 1.00 0.00 H new ATOM 0 HB VAL A 70 6.928 -9.449 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.273 -10.584 10.829 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.719 -9.719 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.760 -11.489 10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.312 -11.500 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.876 -12.484 8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.510 -11.343 7.196 1.00 0.00 H new ATOM 1132 N ILE A 71 5.349 -9.044 6.075 1.00 0.00 N ATOM 1133 CA ILE A 71 5.464 -8.809 4.623 1.00 0.00 C ATOM 1134 C ILE A 71 6.555 -7.759 4.322 1.00 0.00 C ATOM 1135 O ILE A 71 6.764 -6.827 5.107 1.00 0.00 O ATOM 1136 CB ILE A 71 4.072 -8.402 4.008 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.159 -8.263 2.454 1.00 0.00 C ATOM 1138 CG2 ILE A 71 3.514 -7.113 4.668 1.00 0.00 C ATOM 1139 CD1 ILE A 71 2.820 -8.135 1.761 1.00 0.00 C ATOM 0 H ILE A 71 5.403 -8.195 6.637 1.00 0.00 H new ATOM 0 HA ILE A 71 5.769 -9.741 4.146 1.00 0.00 H new ATOM 0 HB ILE A 71 3.368 -9.205 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.764 -7.389 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.680 -9.132 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.553 -6.861 4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.383 -7.279 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.213 -6.292 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.974 -8.043 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.218 -9.020 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.302 -7.250 2.130 1.00 0.00 H new ATOM 1151 N VAL A 72 7.260 -7.951 3.196 1.00 0.00 N ATOM 1152 CA VAL A 72 8.369 -7.096 2.755 1.00 0.00 C ATOM 1153 C VAL A 72 8.422 -7.094 1.207 1.00 0.00 C ATOM 1154 O VAL A 72 8.868 -8.062 0.587 1.00 0.00 O ATOM 1155 CB VAL A 72 9.743 -7.563 3.400 1.00 0.00 C ATOM 1156 CG1 VAL A 72 9.939 -9.102 3.317 1.00 0.00 C ATOM 1157 CG2 VAL A 72 10.955 -6.810 2.788 1.00 0.00 C ATOM 0 H VAL A 72 7.070 -8.721 2.555 1.00 0.00 H new ATOM 0 HA VAL A 72 8.201 -6.075 3.097 1.00 0.00 H new ATOM 0 HB VAL A 72 9.692 -7.301 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.892 -9.372 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.129 -9.601 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.933 -9.414 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.875 -7.159 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.999 -7.002 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.843 -5.740 2.961 1.00 0.00 H new ATOM 1167 N GLY A 73 7.907 -6.011 0.595 1.00 0.00 N ATOM 1168 CA GLY A 73 7.910 -5.865 -0.863 1.00 0.00 C ATOM 1169 C GLY A 73 7.001 -6.876 -1.552 1.00 0.00 C ATOM 1170 O GLY A 73 5.807 -6.954 -1.229 1.00 0.00 O ATOM 0 H GLY A 73 7.485 -5.227 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.590 -4.856 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.928 -5.984 -1.235 1.00 0.00 H new ATOM 1174 N ASN A 74 7.569 -7.679 -2.484 1.00 0.00 N ATOM 1175 CA ASN A 74 6.795 -8.674 -3.269 1.00 0.00 C ATOM 1176 C ASN A 74 6.928 -10.093 -2.682 1.00 0.00 C ATOM 1177 O ASN A 74 6.633 -11.076 -3.358 1.00 0.00 O ATOM 1178 CB ASN A 74 7.197 -8.647 -4.780 1.00 0.00 C ATOM 1179 CG ASN A 74 8.582 -9.225 -5.094 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.524 -9.087 -4.315 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.702 -9.893 -6.237 1.00 0.00 N ATOM 0 H ASN A 74 8.563 -7.657 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 74 5.745 -8.391 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.451 -9.202 -5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.163 -7.616 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.597 -10.311 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.899 -9.988 -6.859 1.00 0.00 H new ATOM 1188 N VAL A 75 7.336 -10.193 -1.409 1.00 0.00 N ATOM 1189 CA VAL A 75 7.481 -11.489 -0.705 1.00 0.00 C ATOM 1190 C VAL A 75 6.877 -11.412 0.716 1.00 0.00 C ATOM 1191 O VAL A 75 7.019 -10.395 1.404 1.00 0.00 O ATOM 1192 CB VAL A 75 8.989 -11.970 -0.689 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.957 -10.874 -0.177 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.162 -13.278 0.116 1.00 0.00 C ATOM 0 H VAL A 75 7.576 -9.385 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 75 6.918 -12.242 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 75 9.255 -12.173 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.978 -11.257 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.891 -9.999 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.684 -10.594 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.210 -13.577 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.842 -13.117 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.556 -14.065 -0.333 1.00 0.00 H new ATOM 1204 N VAL A 76 6.176 -12.493 1.128 1.00 0.00 N ATOM 1205 CA VAL A 76 5.479 -12.581 2.429 1.00 0.00 C ATOM 1206 C VAL A 76 5.956 -13.824 3.204 1.00 0.00 C ATOM 1207 O VAL A 76 6.206 -14.867 2.602 1.00 0.00 O ATOM 1208 CB VAL A 76 3.912 -12.685 2.240 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.152 -12.522 3.583 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.404 -11.676 1.193 1.00 0.00 C ATOM 0 H VAL A 76 6.078 -13.335 0.561 1.00 0.00 H new ATOM 0 HA VAL A 76 5.713 -11.672 2.984 1.00 0.00 H new ATOM 0 HB VAL A 76 3.704 -13.689 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.079 -12.600 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.464 -13.305 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.378 -11.546 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.324 -11.774 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.647 -10.664 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.882 -11.875 0.234 1.00 0.00 H new ATOM 1220 N ILE A 77 6.096 -13.682 4.530 1.00 0.00 N ATOM 1221 CA ILE A 77 6.232 -14.803 5.470 1.00 0.00 C ATOM 1222 C ILE A 77 4.907 -14.919 6.253 1.00 0.00 C ATOM 1223 O ILE A 77 4.625 -14.081 7.111 1.00 0.00 O ATOM 1224 CB ILE A 77 7.433 -14.542 6.460 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.814 -14.586 5.732 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.417 -15.486 7.693 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.355 -15.976 5.479 1.00 0.00 C ATOM 0 H ILE A 77 6.118 -12.770 4.986 1.00 0.00 H new ATOM 0 HA ILE A 77 6.438 -15.729 4.933 1.00 0.00 H new ATOM 0 HB ILE A 77 7.290 -13.530 6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.722 -14.068 4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.540 -14.032 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.267 -15.258 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.491 -15.342 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.482 -16.522 7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.316 -15.905 4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.485 -16.494 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.654 -16.531 4.856 1.00 0.00 H new ATOM 1239 N ASP A 78 4.073 -15.913 5.922 1.00 0.00 N ATOM 1240 CA ASP A 78 2.882 -16.254 6.723 1.00 0.00 C ATOM 1241 C ASP A 78 3.206 -17.482 7.584 1.00 0.00 C ATOM 1242 O ASP A 78 3.497 -18.564 7.075 1.00 0.00 O ATOM 1243 CB ASP A 78 1.617 -16.465 5.831 1.00 0.00 C ATOM 1244 CG ASP A 78 1.796 -17.506 4.708 1.00 0.00 C ATOM 1245 OD1 ASP A 78 2.452 -17.171 3.698 1.00 0.00 O ATOM 1246 OD2 ASP A 78 1.275 -18.639 4.827 1.00 0.00 O ATOM 0 H ASP A 78 4.200 -16.502 5.099 1.00 0.00 H new ATOM 0 HA ASP A 78 2.635 -15.419 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.787 -16.773 6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.339 -15.510 5.384 1.00 0.00 H new ATOM 1251 N HIS A 79 3.227 -17.275 8.910 1.00 0.00 N ATOM 1252 CA HIS A 79 3.565 -18.320 9.884 1.00 0.00 C ATOM 1253 C HIS A 79 2.296 -18.790 10.606 1.00 0.00 C ATOM 1254 O HIS A 79 1.681 -18.034 11.369 1.00 0.00 O ATOM 1255 CB HIS A 79 4.612 -17.810 10.908 1.00 0.00 C ATOM 1256 CG HIS A 79 5.041 -18.866 11.904 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.744 -18.805 13.249 1.00 0.00 N ATOM 1258 CD2 HIS A 79 5.708 -20.030 11.731 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.202 -19.887 13.851 1.00 0.00 C ATOM 1260 NE2 HIS A 79 5.792 -20.645 12.953 1.00 0.00 N ATOM 0 H HIS A 79 3.009 -16.374 9.336 1.00 0.00 H new ATOM 0 HA HIS A 79 4.003 -19.162 9.348 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.489 -17.450 10.371 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.197 -16.959 11.448 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.247 -18.042 13.708 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.103 -20.407 10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.108 -20.112 14.903 1.00 0.00 H new ATOM 1269 N GLU A 80 1.908 -20.036 10.339 1.00 0.00 N ATOM 1270 CA GLU A 80 0.826 -20.711 11.058 1.00 0.00 C ATOM 1271 C GLU A 80 1.398 -21.804 11.974 1.00 0.00 C ATOM 1272 O GLU A 80 2.587 -22.148 11.901 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.176 -21.372 10.072 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.746 -20.449 8.982 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.987 -21.051 8.304 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.838 -21.823 7.333 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -3.115 -20.775 8.776 1.00 0.00 O ATOM 0 H GLU A 80 2.337 -20.610 9.613 1.00 0.00 H new ATOM 0 HA GLU A 80 0.306 -19.957 11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.321 -22.213 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.007 -21.781 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.005 -19.486 9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.021 -20.260 8.231 1.00 0.00 H new ATOM 1284 N THR A 81 0.548 -22.294 12.876 1.00 0.00 N ATOM 1285 CA THR A 81 0.664 -23.646 13.412 1.00 0.00 C ATOM 1286 C THR A 81 -0.362 -24.499 12.640 1.00 0.00 C ATOM 1287 O THR A 81 -1.570 -24.413 12.898 1.00 0.00 O ATOM 1288 CB THR A 81 0.375 -23.673 14.954 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.138 -22.639 15.593 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.739 -25.035 15.581 1.00 0.00 C ATOM 0 H THR A 81 -0.238 -21.765 13.254 1.00 0.00 H new ATOM 0 HA THR A 81 1.675 -24.033 13.287 1.00 0.00 H new ATOM 0 HB THR A 81 -0.693 -23.510 15.101 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.057 -22.950 15.734 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.524 -25.013 16.649 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.151 -25.822 15.109 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.800 -25.234 15.428 1.00 0.00 H new ATOM 1298 N VAL A 82 0.119 -25.268 11.644 1.00 0.00 N ATOM 1299 CA VAL A 82 -0.753 -26.108 10.802 1.00 0.00 C ATOM 1300 C VAL A 82 -0.958 -27.464 11.469 1.00 0.00 C ATOM 1301 O VAL A 82 -0.020 -28.050 12.008 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.199 -26.300 9.338 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.077 -24.940 8.611 1.00 0.00 C ATOM 1304 CG2 VAL A 82 1.146 -27.073 9.317 1.00 0.00 C ATOM 0 H VAL A 82 1.109 -25.324 11.403 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.706 -25.588 10.708 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.922 -26.911 8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.307 -25.099 7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.058 -24.468 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.606 -24.293 9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.488 -27.181 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.891 -26.522 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.005 -28.060 9.758 1.00 0.00 H new ATOM 1314 N THR A 83 -2.184 -27.965 11.423 1.00 0.00 N ATOM 1315 CA THR A 83 -2.562 -29.176 12.134 1.00 0.00 C ATOM 1316 C THR A 83 -2.480 -30.400 11.204 1.00 0.00 C ATOM 1317 O THR A 83 -3.134 -30.449 10.153 1.00 0.00 O ATOM 1318 CB THR A 83 -3.985 -29.012 12.732 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.035 -27.817 13.537 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.390 -30.214 13.589 1.00 0.00 C ATOM 0 H THR A 83 -2.945 -27.542 10.891 1.00 0.00 H new ATOM 0 HA THR A 83 -1.863 -29.342 12.954 1.00 0.00 H new ATOM 0 HB THR A 83 -4.686 -28.942 11.900 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.144 -27.035 12.956 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.392 -30.056 13.987 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.380 -31.116 12.978 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.686 -30.327 14.413 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.630 -31.359 11.599 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.467 -32.653 10.926 1.00 0.00 C ATOM 1330 C ARG A 84 -2.017 -33.740 11.868 1.00 0.00 C ATOM 1331 O ARG A 84 -2.763 -33.427 12.808 1.00 0.00 O ATOM 1332 CB ARG A 84 0.042 -32.880 10.614 1.00 0.00 C ATOM 1333 CG ARG A 84 0.683 -31.784 9.728 1.00 0.00 C ATOM 1334 CD ARG A 84 2.220 -31.901 9.633 1.00 0.00 C ATOM 1335 NE ARG A 84 2.686 -33.254 9.266 1.00 0.00 N ATOM 1336 CZ ARG A 84 2.530 -33.856 8.070 1.00 0.00 C ATOM 1337 NH1 ARG A 84 1.889 -33.261 7.064 1.00 0.00 N ATOM 1338 NH2 ARG A 84 3.027 -35.068 7.898 1.00 0.00 N ATOM 0 H ARG A 84 -1.024 -31.253 12.413 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.010 -32.686 9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.590 -32.937 11.554 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.157 -33.844 10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.258 -31.841 8.726 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.424 -30.804 10.129 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.586 -31.187 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.658 -31.622 10.591 1.00 0.00 H new ATOM 0 HE ARG A 84 3.173 -33.784 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.501 -32.326 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.786 -33.741 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.518 -35.531 8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.920 -35.541 7.001 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.661 -35.014 11.629 1.00 0.00 N ATOM 1353 CA ASN A 85 -1.996 -36.105 12.559 1.00 0.00 C ATOM 1354 C ASN A 85 -0.763 -36.982 12.825 1.00 0.00 C ATOM 1355 O ASN A 85 -0.285 -37.679 11.930 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.185 -36.953 12.046 1.00 0.00 C ATOM 1357 CG ASN A 85 -3.735 -37.920 13.108 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -3.750 -37.501 14.376 1.00 0.00 O flip ATOM 1359 ND2 ASN A 85 -4.173 -39.021 12.788 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.143 -35.312 10.802 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.308 -35.655 13.501 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.984 -36.288 11.719 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.868 -37.523 11.173 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.149 -39.315 11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.561 -39.642 13.498 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.233 -36.898 14.056 1.00 0.00 N ATOM 1367 CA PHE A 86 0.873 -37.747 14.550 1.00 0.00 C ATOM 1368 C PHE A 86 0.293 -38.805 15.519 1.00 0.00 C ATOM 1369 O PHE A 86 -0.625 -38.489 16.275 1.00 0.00 O ATOM 1370 CB PHE A 86 1.944 -36.885 15.290 1.00 0.00 C ATOM 1371 CG PHE A 86 2.739 -35.877 14.449 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.611 -35.798 13.061 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.627 -34.992 15.073 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.334 -34.874 12.330 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.350 -34.070 14.337 1.00 0.00 C ATOM 1376 CZ PHE A 86 4.204 -34.013 12.967 1.00 0.00 C ATOM 0 H PHE A 86 -0.564 -36.228 14.751 1.00 0.00 H new ATOM 0 HA PHE A 86 1.355 -38.236 13.703 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.443 -36.338 16.089 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.654 -37.563 15.764 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.937 -36.469 12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.749 -35.030 16.145 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.218 -34.826 11.257 1.00 0.00 H new ATOM 0 HE2 PHE A 86 5.029 -33.395 14.836 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.770 -33.295 12.393 1.00 0.00 H new ATOM 1386 N PRO A 87 0.822 -40.073 15.526 1.00 0.00 N ATOM 1387 CA PRO A 87 0.334 -41.141 16.438 1.00 0.00 C ATOM 1388 C PRO A 87 0.719 -40.916 17.925 1.00 0.00 C ATOM 1389 O PRO A 87 0.232 -41.638 18.802 1.00 0.00 O ATOM 1390 CB PRO A 87 0.988 -42.421 15.860 1.00 0.00 C ATOM 1391 CG PRO A 87 2.253 -41.934 15.225 1.00 0.00 C ATOM 1392 CD PRO A 87 1.908 -40.581 14.634 1.00 0.00 C ATOM 0 HA PRO A 87 -0.755 -41.181 16.469 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.191 -43.152 16.642 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.338 -42.906 15.132 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.055 -41.850 15.959 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.597 -42.624 14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.770 -39.913 14.632 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.570 -40.669 13.601 1.00 0.00 H new ATOM 1400 N GLU A 88 1.602 -39.927 18.197 1.00 0.00 N ATOM 1401 CA GLU A 88 1.972 -39.537 19.583 1.00 0.00 C ATOM 1402 C GLU A 88 0.981 -38.517 20.183 1.00 0.00 C ATOM 1403 O GLU A 88 1.006 -38.284 21.398 1.00 0.00 O ATOM 1404 CB GLU A 88 3.435 -38.986 19.665 1.00 0.00 C ATOM 1405 CG GLU A 88 3.797 -37.854 18.658 1.00 0.00 C ATOM 1406 CD GLU A 88 4.601 -38.350 17.435 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.081 -39.190 16.675 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.758 -37.919 17.235 1.00 0.00 O ATOM 0 H GLU A 88 2.074 -39.382 17.475 1.00 0.00 H new ATOM 0 HA GLU A 88 1.919 -40.448 20.179 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.606 -38.614 20.675 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.124 -39.816 19.510 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.879 -37.380 18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.375 -37.089 19.176 1.00 0.00 H new ATOM 1415 N GLY A 89 0.113 -37.917 19.343 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.862 -36.931 19.827 1.00 0.00 C ATOM 1417 C GLY A 89 -1.689 -36.318 18.711 1.00 0.00 C ATOM 1418 O GLY A 89 -2.291 -37.042 17.920 1.00 0.00 O ATOM 0 H GLY A 89 0.070 -38.098 18.340 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.528 -37.409 20.545 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.336 -36.139 20.359 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.767 -34.972 18.686 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.426 -34.231 17.619 1.00 0.00 C ATOM 1424 C LYS A 90 -1.557 -34.217 16.365 1.00 0.00 C ATOM 1425 O LYS A 90 -1.882 -34.888 15.396 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.760 -32.796 18.091 1.00 0.00 C ATOM 1427 CG LYS A 90 -3.347 -31.868 17.009 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.596 -32.442 16.306 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.726 -32.823 17.276 1.00 0.00 C ATOM 1430 NZ LYS A 90 -7.021 -33.044 16.577 1.00 0.00 N ATOM 0 H LYS A 90 -1.370 -34.377 19.413 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.363 -34.728 17.368 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.469 -32.858 18.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.852 -32.340 18.484 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.605 -30.912 17.465 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.580 -31.668 16.261 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.972 -31.707 15.594 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.308 -33.323 15.733 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.448 -33.728 17.816 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.846 -32.034 18.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.662 -33.581 17.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.452 -32.126 16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.856 -33.579 15.701 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.458 -33.449 16.393 1.00 0.00 N ATOM 1445 CA GLY A 91 0.470 -33.378 15.259 1.00 0.00 C ATOM 1446 C GLY A 91 0.549 -32.008 14.622 1.00 0.00 C ATOM 1447 O GLY A 91 0.917 -31.882 13.452 1.00 0.00 O ATOM 0 H GLY A 91 -0.192 -32.869 17.189 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.465 -33.670 15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.164 -34.103 14.504 1.00 0.00 H new ATOM 1451 N GLU A 92 0.270 -30.970 15.413 1.00 0.00 N ATOM 1452 CA GLU A 92 0.190 -29.588 14.914 1.00 0.00 C ATOM 1453 C GLU A 92 1.586 -28.943 15.021 1.00 0.00 C ATOM 1454 O GLU A 92 2.201 -28.946 16.078 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.932 -28.784 15.673 1.00 0.00 C ATOM 1456 CG GLU A 92 -0.606 -28.174 17.073 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.206 -29.156 18.204 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.519 -30.365 18.146 1.00 0.00 O ATOM 1459 OE2 GLU A 92 0.400 -28.692 19.192 1.00 0.00 O ATOM 0 H GLU A 92 0.093 -31.059 16.414 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.102 -29.576 13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.250 -27.968 15.024 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.789 -29.447 15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.205 -27.457 16.947 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.479 -27.613 17.407 1.00 0.00 H new ATOM 1466 N VAL A 93 2.121 -28.468 13.880 1.00 0.00 N ATOM 1467 CA VAL A 93 3.522 -28.035 13.760 1.00 0.00 C ATOM 1468 C VAL A 93 3.599 -26.580 13.265 1.00 0.00 C ATOM 1469 O VAL A 93 2.779 -26.149 12.443 1.00 0.00 O ATOM 1470 CB VAL A 93 4.329 -29.003 12.806 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.340 -30.446 13.362 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.776 -28.995 11.359 1.00 0.00 C ATOM 0 H VAL A 93 1.590 -28.374 13.014 1.00 0.00 H new ATOM 0 HA VAL A 93 3.981 -28.080 14.748 1.00 0.00 H new ATOM 0 HB VAL A 93 5.352 -28.628 12.772 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.902 -31.092 12.687 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.810 -30.453 14.346 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.317 -30.811 13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.363 -29.675 10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.735 -29.318 11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.841 -27.987 10.950 1.00 0.00 H new ATOM 1482 N ASP A 94 4.585 -25.826 13.783 1.00 0.00 N ATOM 1483 CA ASP A 94 4.786 -24.407 13.430 1.00 0.00 C ATOM 1484 C ASP A 94 5.503 -24.308 12.073 1.00 0.00 C ATOM 1485 O ASP A 94 6.683 -24.611 11.990 1.00 0.00 O ATOM 1486 CB ASP A 94 5.630 -23.690 14.518 1.00 0.00 C ATOM 1487 CG ASP A 94 5.047 -23.808 15.934 1.00 0.00 C ATOM 1488 OD1 ASP A 94 4.016 -23.158 16.215 1.00 0.00 O ATOM 1489 OD2 ASP A 94 5.626 -24.530 16.778 1.00 0.00 O ATOM 0 H ASP A 94 5.264 -26.181 14.456 1.00 0.00 H new ATOM 0 HA ASP A 94 3.812 -23.922 13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.638 -24.105 14.515 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.719 -22.635 14.259 1.00 0.00 H new ATOM 1494 N VAL A 95 4.785 -23.882 11.018 1.00 0.00 N ATOM 1495 CA VAL A 95 5.316 -23.803 9.635 1.00 0.00 C ATOM 1496 C VAL A 95 5.171 -22.371 9.095 1.00 0.00 C ATOM 1497 O VAL A 95 4.154 -21.715 9.335 1.00 0.00 O ATOM 1498 CB VAL A 95 4.573 -24.814 8.681 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.116 -24.781 7.230 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.630 -26.231 9.262 1.00 0.00 C ATOM 0 H VAL A 95 3.814 -23.580 11.096 1.00 0.00 H new ATOM 0 HA VAL A 95 6.372 -24.074 9.663 1.00 0.00 H new ATOM 0 HB VAL A 95 3.532 -24.497 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.566 -25.498 6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.990 -23.780 6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.174 -25.042 7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.113 -26.919 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.670 -26.540 9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.147 -26.243 10.239 1.00 0.00 H new ATOM 1510 N ALA A 96 6.205 -21.892 8.390 1.00 0.00 N ATOM 1511 CA ALA A 96 6.210 -20.569 7.756 1.00 0.00 C ATOM 1512 C ALA A 96 6.332 -20.733 6.236 1.00 0.00 C ATOM 1513 O ALA A 96 7.328 -21.277 5.748 1.00 0.00 O ATOM 1514 CB ALA A 96 7.358 -19.714 8.320 1.00 0.00 C ATOM 0 H ALA A 96 7.067 -22.417 8.243 1.00 0.00 H new ATOM 0 HA ALA A 96 5.275 -20.054 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.351 -18.735 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.228 -19.594 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.310 -20.207 8.123 1.00 0.00 H new ATOM 1520 N CYS A 97 5.315 -20.277 5.494 1.00 0.00 N ATOM 1521 CA CYS A 97 5.326 -20.285 4.033 1.00 0.00 C ATOM 1522 C CYS A 97 5.825 -18.923 3.541 1.00 0.00 C ATOM 1523 O CYS A 97 5.298 -17.879 3.930 1.00 0.00 O ATOM 1524 CB CYS A 97 3.913 -20.578 3.493 1.00 0.00 C ATOM 1525 SG CYS A 97 3.216 -22.137 4.082 1.00 0.00 S ATOM 0 H CYS A 97 4.460 -19.892 5.895 1.00 0.00 H new ATOM 0 HA CYS A 97 5.991 -21.068 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.249 -19.763 3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.947 -20.594 2.404 1.00 0.00 H new ATOM 0 HG CYS A 97 2.028 -22.298 3.580 1.00 0.00 H new ATOM 1531 N ILE A 98 6.894 -18.953 2.737 1.00 0.00 N ATOM 1532 CA ILE A 98 7.461 -17.761 2.105 1.00 0.00 C ATOM 1533 C ILE A 98 7.077 -17.743 0.606 1.00 0.00 C ATOM 1534 O ILE A 98 7.604 -18.515 -0.204 1.00 0.00 O ATOM 1535 CB ILE A 98 9.027 -17.690 2.341 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.666 -16.488 1.570 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.743 -19.029 2.031 1.00 0.00 C ATOM 1538 CD1 ILE A 98 11.146 -16.253 1.841 1.00 0.00 C ATOM 0 H ILE A 98 7.392 -19.813 2.506 1.00 0.00 H new ATOM 0 HA ILE A 98 7.044 -16.864 2.564 1.00 0.00 H new ATOM 0 HB ILE A 98 9.176 -17.512 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.531 -16.651 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.118 -15.581 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.813 -18.920 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.345 -19.812 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.576 -19.298 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.491 -15.399 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.294 -16.053 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.713 -17.139 1.556 1.00 0.00 H new ATOM 1550 N TYR A 99 6.119 -16.865 0.258 1.00 0.00 N ATOM 1551 CA TYR A 99 5.610 -16.714 -1.120 1.00 0.00 C ATOM 1552 C TYR A 99 6.274 -15.508 -1.795 1.00 0.00 C ATOM 1553 O TYR A 99 6.264 -14.416 -1.234 1.00 0.00 O ATOM 1554 CB TYR A 99 4.073 -16.481 -1.127 1.00 0.00 C ATOM 1555 CG TYR A 99 3.207 -17.577 -0.482 1.00 0.00 C ATOM 1556 CD1 TYR A 99 3.467 -18.931 -0.683 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.102 -17.244 0.303 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.657 -19.910 -0.126 1.00 0.00 C ATOM 1559 CE2 TYR A 99 1.285 -18.218 0.854 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.569 -19.546 0.642 1.00 0.00 C ATOM 1561 OH TYR A 99 0.758 -20.518 1.189 1.00 0.00 O ATOM 0 H TYR A 99 5.673 -16.237 0.927 1.00 0.00 H new ATOM 0 HA TYR A 99 5.842 -17.633 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.869 -15.540 -0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.752 -16.358 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.315 -19.224 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.879 -16.203 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.877 -20.954 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.428 -17.935 1.448 1.00 0.00 H new ATOM 0 HH TYR A 99 0.039 -20.093 1.702 1.00 0.00 H new ATOM 1571 N GLU A 100 6.846 -15.714 -2.992 1.00 0.00 N ATOM 1572 CA GLU A 100 7.291 -14.618 -3.868 1.00 0.00 C ATOM 1573 C GLU A 100 6.229 -14.394 -4.969 1.00 0.00 C ATOM 1574 O GLU A 100 5.996 -15.253 -5.831 1.00 0.00 O ATOM 1575 CB GLU A 100 8.675 -14.933 -4.487 1.00 0.00 C ATOM 1576 CG GLU A 100 9.315 -13.759 -5.257 1.00 0.00 C ATOM 1577 CD GLU A 100 10.666 -14.117 -5.910 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.673 -14.599 -7.064 1.00 0.00 O ATOM 1579 OE2 GLU A 100 11.724 -13.915 -5.278 1.00 0.00 O ATOM 0 H GLU A 100 7.013 -16.643 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 100 7.399 -13.706 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.353 -15.241 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.571 -15.781 -5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.624 -13.422 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.461 -12.923 -4.573 1.00 0.00 H new ATOM 1586 N VAL A 101 5.590 -13.229 -4.898 1.00 0.00 N ATOM 1587 CA VAL A 101 4.479 -12.821 -5.766 1.00 0.00 C ATOM 1588 C VAL A 101 4.995 -11.939 -6.929 1.00 0.00 C ATOM 1589 O VAL A 101 5.681 -10.935 -6.702 1.00 0.00 O ATOM 1590 CB VAL A 101 3.406 -12.033 -4.913 1.00 0.00 C ATOM 1591 CG1 VAL A 101 2.200 -11.575 -5.769 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.934 -12.880 -3.702 1.00 0.00 C ATOM 0 H VAL A 101 5.837 -12.516 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 101 4.016 -13.710 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 101 3.893 -11.133 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.490 -11.038 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.548 -10.917 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.712 -12.446 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.196 -12.317 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.486 -13.807 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.788 -13.111 -3.065 1.00 0.00 H new ATOM 1602 N GLU A 102 4.665 -12.337 -8.171 1.00 0.00 N ATOM 1603 CA GLU A 102 4.963 -11.565 -9.395 1.00 0.00 C ATOM 1604 C GLU A 102 3.702 -11.502 -10.290 1.00 0.00 C ATOM 1605 O GLU A 102 3.006 -12.508 -10.445 1.00 0.00 O ATOM 1606 CB GLU A 102 6.149 -12.210 -10.156 1.00 0.00 C ATOM 1607 CG GLU A 102 6.591 -11.479 -11.446 1.00 0.00 C ATOM 1608 CD GLU A 102 7.144 -10.059 -11.209 1.00 0.00 C ATOM 1609 OE1 GLU A 102 6.344 -9.106 -11.039 1.00 0.00 O ATOM 1610 OE2 GLU A 102 8.381 -9.889 -11.193 1.00 0.00 O ATOM 0 H GLU A 102 4.178 -13.214 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 102 5.247 -10.549 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.003 -12.267 -9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.878 -13.234 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.355 -12.076 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.741 -11.417 -12.125 1.00 0.00 H new ATOM 1617 N ASN A 103 3.445 -10.316 -10.896 1.00 0.00 N ATOM 1618 CA ASN A 103 2.213 -10.013 -11.688 1.00 0.00 C ATOM 1619 C ASN A 103 0.935 -10.078 -10.807 1.00 0.00 C ATOM 1620 O ASN A 103 -0.168 -10.347 -11.306 1.00 0.00 O ATOM 1621 CB ASN A 103 2.058 -10.968 -12.926 1.00 0.00 C ATOM 1622 CG ASN A 103 3.227 -10.903 -13.918 1.00 0.00 C ATOM 1623 OD1 ASN A 103 4.218 -11.769 -13.745 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 3.229 -10.094 -14.843 1.00 0.00 N flip ATOM 0 H ASN A 103 4.092 -9.529 -10.851 1.00 0.00 H new ATOM 0 HA ASN A 103 2.330 -8.994 -12.057 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.954 -11.993 -12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.136 -10.718 -13.451 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.453 -9.440 -14.951 1.00 0.00 H new ATOM 0 HD22 ASN A 103 4.006 -10.076 -15.503 1.00 0.00 H new ATOM 1631 N GLY A 104 1.101 -9.771 -9.504 1.00 0.00 N ATOM 1632 CA GLY A 104 0.004 -9.845 -8.525 1.00 0.00 C ATOM 1633 C GLY A 104 -0.438 -11.280 -8.192 1.00 0.00 C ATOM 1634 O GLY A 104 -1.445 -11.483 -7.503 1.00 0.00 O ATOM 0 H GLY A 104 1.990 -9.468 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.316 -9.349 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.852 -9.292 -8.911 1.00 0.00 H new ATOM 1638 N ARG A 105 0.328 -12.275 -8.684 1.00 0.00 N ATOM 1639 CA ARG A 105 0.050 -13.718 -8.511 1.00 0.00 C ATOM 1640 C ARG A 105 1.319 -14.395 -7.968 1.00 0.00 C ATOM 1641 O ARG A 105 2.415 -13.988 -8.321 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.341 -14.361 -9.876 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.534 -13.708 -10.609 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.864 -13.834 -9.847 1.00 0.00 C ATOM 1645 NE ARG A 105 -3.953 -13.119 -10.548 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.240 -13.505 -10.626 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.652 -14.626 -10.063 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.105 -12.756 -11.291 1.00 0.00 N ATOM 0 H ARG A 105 1.175 -12.096 -9.224 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.779 -13.851 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.527 -14.328 -10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.574 -15.412 -9.708 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.316 -12.653 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.642 -14.167 -11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -3.126 -14.887 -9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.749 -13.430 -8.841 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.704 -12.249 -11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.991 -15.216 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.632 -14.902 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.794 -11.894 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.082 -13.041 -11.355 1.00 0.00 H new ATOM 1662 N ILE A 106 1.181 -15.412 -7.110 1.00 0.00 N ATOM 1663 CA ILE A 106 2.346 -16.120 -6.536 1.00 0.00 C ATOM 1664 C ILE A 106 3.045 -16.944 -7.628 1.00 0.00 C ATOM 1665 O ILE A 106 2.570 -18.013 -7.994 1.00 0.00 O ATOM 1666 CB ILE A 106 1.927 -17.053 -5.344 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.175 -16.234 -4.257 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.155 -17.786 -4.741 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.702 -17.054 -3.082 1.00 0.00 C ATOM 0 H ILE A 106 0.279 -15.768 -6.794 1.00 0.00 H new ATOM 0 HA ILE A 106 3.035 -15.371 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 106 1.251 -17.816 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.832 -15.444 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.315 -15.747 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.831 -18.423 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.627 -18.398 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.871 -17.052 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.188 -16.408 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.017 -17.827 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.559 -17.520 -2.595 1.00 0.00 H new ATOM 1681 N ALA A 107 4.154 -16.413 -8.166 1.00 0.00 N ATOM 1682 CA ALA A 107 4.897 -17.061 -9.269 1.00 0.00 C ATOM 1683 C ALA A 107 5.941 -18.058 -8.740 1.00 0.00 C ATOM 1684 O ALA A 107 6.441 -18.894 -9.499 1.00 0.00 O ATOM 1685 CB ALA A 107 5.527 -16.001 -10.184 1.00 0.00 C ATOM 0 H ALA A 107 4.562 -15.531 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 107 4.190 -17.639 -9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.070 -16.493 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 107 4.743 -15.372 -10.605 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.216 -15.384 -9.606 1.00 0.00 H new ATOM 1691 N LYS A 108 6.250 -17.966 -7.435 1.00 0.00 N ATOM 1692 CA LYS A 108 7.146 -18.905 -6.732 1.00 0.00 C ATOM 1693 C LYS A 108 6.673 -19.016 -5.283 1.00 0.00 C ATOM 1694 O LYS A 108 6.461 -17.998 -4.631 1.00 0.00 O ATOM 1695 CB LYS A 108 8.634 -18.424 -6.770 1.00 0.00 C ATOM 1696 CG LYS A 108 9.320 -18.529 -8.153 1.00 0.00 C ATOM 1697 CD LYS A 108 10.725 -17.888 -8.188 1.00 0.00 C ATOM 1698 CE LYS A 108 11.361 -17.939 -9.588 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.674 -17.255 -9.624 1.00 0.00 N ATOM 0 H LYS A 108 5.882 -17.231 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 108 7.107 -19.874 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.673 -17.386 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.208 -19.009 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.400 -19.580 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.690 -18.048 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.656 -16.850 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.373 -18.403 -7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.485 -18.978 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.689 -17.473 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.069 -17.312 -10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.553 -16.257 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.324 -17.715 -8.955 1.00 0.00 H new ATOM 1713 N ALA A 109 6.499 -20.247 -4.790 1.00 0.00 N ATOM 1714 CA ALA A 109 6.081 -20.507 -3.403 1.00 0.00 C ATOM 1715 C ALA A 109 7.045 -21.499 -2.764 1.00 0.00 C ATOM 1716 O ALA A 109 7.364 -22.520 -3.358 1.00 0.00 O ATOM 1717 CB ALA A 109 4.654 -21.063 -3.384 1.00 0.00 C ATOM 0 H ALA A 109 6.644 -21.094 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 109 6.098 -19.576 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.351 -21.253 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.975 -20.339 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.619 -21.994 -3.950 1.00 0.00 H new ATOM 1723 N TRP A 110 7.497 -21.190 -1.545 1.00 0.00 N ATOM 1724 CA TRP A 110 8.429 -22.034 -0.776 1.00 0.00 C ATOM 1725 C TRP A 110 7.881 -22.131 0.666 1.00 0.00 C ATOM 1726 O TRP A 110 7.160 -21.228 1.100 1.00 0.00 O ATOM 1727 CB TRP A 110 9.870 -21.409 -0.792 1.00 0.00 C ATOM 1728 CG TRP A 110 10.321 -20.816 -2.125 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.505 -21.474 -3.307 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.664 -19.441 -2.391 1.00 0.00 C ATOM 1731 NE1 TRP A 110 10.916 -20.605 -4.283 1.00 0.00 N ATOM 1732 CE2 TRP A 110 11.023 -19.352 -3.747 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.699 -18.282 -1.611 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.420 -18.157 -4.339 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 11.083 -17.090 -2.201 1.00 0.00 C ATOM 1736 CH2 TRP A 110 11.436 -17.038 -3.555 1.00 0.00 C ATOM 0 H TRP A 110 7.225 -20.338 -1.055 1.00 0.00 H new ATOM 0 HA TRP A 110 8.505 -23.029 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 110 9.915 -20.627 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.583 -22.179 -0.498 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.348 -22.533 -3.452 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.111 -20.853 -5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 110 10.431 -18.316 -0.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.705 -18.115 -5.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 11.111 -16.187 -1.609 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.727 -16.093 -3.989 1.00 0.00 H new ATOM 1747 N PHE A 111 8.176 -23.222 1.401 1.00 0.00 N ATOM 1748 CA PHE A 111 7.765 -23.336 2.822 1.00 0.00 C ATOM 1749 C PHE A 111 8.833 -24.062 3.654 1.00 0.00 C ATOM 1750 O PHE A 111 9.550 -24.935 3.146 1.00 0.00 O ATOM 1751 CB PHE A 111 6.364 -24.014 2.983 1.00 0.00 C ATOM 1752 CG PHE A 111 6.332 -25.535 2.823 1.00 0.00 C ATOM 1753 CD1 PHE A 111 6.217 -26.129 1.568 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.405 -26.377 3.945 1.00 0.00 C ATOM 1755 CE1 PHE A 111 6.180 -27.505 1.438 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.371 -27.747 3.810 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.257 -28.312 2.558 1.00 0.00 C ATOM 0 H PHE A 111 8.690 -24.028 1.044 1.00 0.00 H new ATOM 0 HA PHE A 111 7.671 -22.320 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.973 -23.764 3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.685 -23.577 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.156 -25.508 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.489 -25.943 4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.091 -27.951 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.434 -28.378 4.684 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.228 -29.386 2.452 1.00 0.00 H new ATOM 1767 N LYS A 112 8.920 -23.671 4.935 1.00 0.00 N ATOM 1768 CA LYS A 112 9.810 -24.282 5.931 1.00 0.00 C ATOM 1769 C LYS A 112 8.980 -24.765 7.137 1.00 0.00 C ATOM 1770 O LYS A 112 8.159 -24.010 7.671 1.00 0.00 O ATOM 1771 CB LYS A 112 10.895 -23.256 6.382 1.00 0.00 C ATOM 1772 CG LYS A 112 10.338 -21.936 6.982 1.00 0.00 C ATOM 1773 CD LYS A 112 11.419 -20.887 7.380 1.00 0.00 C ATOM 1774 CE LYS A 112 12.153 -20.249 6.175 1.00 0.00 C ATOM 1775 NZ LYS A 112 13.119 -21.178 5.526 1.00 0.00 N ATOM 0 H LYS A 112 8.362 -22.906 5.314 1.00 0.00 H new ATOM 0 HA LYS A 112 10.316 -25.139 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.538 -23.731 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.522 -23.012 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.662 -21.482 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.745 -22.177 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.946 -20.097 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.154 -21.366 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.418 -19.925 5.438 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.683 -19.357 6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.980 -20.656 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.365 -21.941 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.688 -21.586 4.672 1.00 0.00 H new ATOM 1789 N ILE A 113 9.175 -26.027 7.552 1.00 0.00 N ATOM 1790 CA ILE A 113 8.583 -26.562 8.792 1.00 0.00 C ATOM 1791 C ILE A 113 9.569 -26.314 9.938 1.00 0.00 C ATOM 1792 O ILE A 113 10.754 -26.644 9.833 1.00 0.00 O ATOM 1793 CB ILE A 113 8.218 -28.099 8.682 1.00 0.00 C ATOM 1794 CG1 ILE A 113 7.012 -28.301 7.702 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.898 -28.728 10.075 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.649 -29.749 7.415 1.00 0.00 C ATOM 0 H ILE A 113 9.744 -26.703 7.042 1.00 0.00 H new ATOM 0 HA ILE A 113 7.641 -26.046 8.980 1.00 0.00 H new ATOM 0 HB ILE A 113 9.093 -28.615 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.138 -27.799 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.244 -27.807 6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.653 -29.783 9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.767 -28.632 10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.050 -28.209 10.522 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.804 -29.783 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.503 -30.256 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.380 -30.248 8.346 1.00 0.00 H new ATOM 1808 N GLY A 114 9.059 -25.698 11.007 1.00 0.00 N ATOM 1809 CA GLY A 114 9.864 -25.310 12.169 1.00 0.00 C ATOM 1810 C GLY A 114 10.231 -26.488 13.068 1.00 0.00 C ATOM 1811 O GLY A 114 11.375 -26.964 13.051 1.00 0.00 O ATOM 0 H GLY A 114 8.072 -25.453 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.778 -24.826 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.314 -24.573 12.754 1.00 0.00 H new ATOM 1815 N GLU A 115 9.238 -26.982 13.832 1.00 0.00 N ATOM 1816 CA GLU A 115 9.443 -28.054 14.827 1.00 0.00 C ATOM 1817 C GLU A 115 8.126 -28.857 15.002 1.00 0.00 C ATOM 1818 O GLU A 115 7.073 -28.402 14.537 1.00 0.00 O ATOM 1819 CB GLU A 115 9.884 -27.431 16.192 1.00 0.00 C ATOM 1820 CG GLU A 115 8.730 -26.813 17.005 1.00 0.00 C ATOM 1821 CD GLU A 115 9.179 -26.243 18.360 1.00 0.00 C ATOM 1822 OE1 GLU A 115 9.540 -27.037 19.254 1.00 0.00 O ATOM 1823 OE2 GLU A 115 9.148 -25.006 18.545 1.00 0.00 O ATOM 0 H GLU A 115 8.275 -26.651 13.778 1.00 0.00 H new ATOM 0 HA GLU A 115 10.226 -28.728 14.481 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.364 -28.203 16.793 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.633 -26.662 16.003 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.267 -26.018 16.420 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.966 -27.572 17.173 1.00 0.00 H new ATOM 1830 N PRO A 116 8.156 -30.052 15.676 1.00 0.00 N ATOM 1831 CA PRO A 116 6.926 -30.758 16.093 1.00 0.00 C ATOM 1832 C PRO A 116 6.360 -30.244 17.444 1.00 0.00 C ATOM 1833 O PRO A 116 7.113 -29.975 18.386 1.00 0.00 O ATOM 1834 CB PRO A 116 7.411 -32.217 16.194 1.00 0.00 C ATOM 1835 CG PRO A 116 8.824 -32.102 16.685 1.00 0.00 C ATOM 1836 CD PRO A 116 9.379 -30.847 16.028 1.00 0.00 C ATOM 0 HA PRO A 116 6.097 -30.612 15.400 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.795 -32.794 16.884 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.365 -32.720 15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 116 8.857 -32.024 17.772 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.408 -32.980 16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.032 -30.297 16.706 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.968 -31.087 15.143 1.00 0.00 H new ATOM 1844 N ARG A 117 5.024 -30.090 17.507 1.00 0.00 N ATOM 1845 CA ARG A 117 4.287 -29.744 18.747 1.00 0.00 C ATOM 1846 C ARG A 117 3.093 -30.713 18.914 1.00 0.00 C ATOM 1847 O ARG A 117 2.544 -31.211 17.921 1.00 0.00 O ATOM 1848 CB ARG A 117 3.783 -28.267 18.699 1.00 0.00 C ATOM 1849 CG ARG A 117 4.877 -27.180 18.770 1.00 0.00 C ATOM 1850 CD ARG A 117 5.582 -27.123 20.139 1.00 0.00 C ATOM 1851 NE ARG A 117 6.571 -26.025 20.205 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.058 -25.480 21.331 1.00 0.00 C ATOM 1853 NH1 ARG A 117 6.615 -25.856 22.521 1.00 0.00 N ATOM 1854 NH2 ARG A 117 7.985 -24.537 21.251 1.00 0.00 N ATOM 0 H ARG A 117 4.417 -30.202 16.695 1.00 0.00 H new ATOM 0 HA ARG A 117 4.959 -29.841 19.600 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.217 -28.126 17.778 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.090 -28.113 19.526 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.618 -27.367 17.993 1.00 0.00 H new ATOM 0 HG3 ARG A 117 4.431 -26.209 18.557 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.839 -26.990 20.925 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.081 -28.073 20.330 1.00 0.00 H new ATOM 0 HE ARG A 117 6.912 -25.650 19.320 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.891 -26.571 22.593 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.997 -25.430 23.365 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.323 -24.230 20.339 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.360 -24.118 22.102 1.00 0.00 H new ATOM 1868 N ILE A 118 2.716 -30.987 20.176 1.00 0.00 N ATOM 1869 CA ILE A 118 1.563 -31.851 20.529 1.00 0.00 C ATOM 1870 C ILE A 118 0.703 -31.119 21.584 1.00 0.00 C ATOM 1871 O ILE A 118 1.247 -30.594 22.564 1.00 0.00 O ATOM 1872 CB ILE A 118 2.043 -33.264 21.072 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.778 -34.085 19.955 1.00 0.00 C ATOM 1874 CG2 ILE A 118 0.876 -34.083 21.676 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.918 -34.444 18.750 1.00 0.00 C ATOM 0 H ILE A 118 3.204 -30.614 20.990 1.00 0.00 H new ATOM 0 HA ILE A 118 0.969 -32.040 19.635 1.00 0.00 H new ATOM 0 HB ILE A 118 2.754 -33.068 21.875 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.639 -33.512 19.611 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.163 -35.005 20.395 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.251 -35.042 22.034 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.437 -33.532 22.507 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.117 -34.253 20.912 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.513 -35.010 18.034 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.071 -35.048 19.075 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.554 -33.531 18.278 1.00 0.00 H new ATOM 1887 N VAL A 119 -0.631 -31.067 21.363 1.00 0.00 N ATOM 1888 CA VAL A 119 -1.580 -30.350 22.261 1.00 0.00 C ATOM 1889 C VAL A 119 -1.633 -30.996 23.670 1.00 0.00 C ATOM 1890 O VAL A 119 -1.726 -30.297 24.684 1.00 0.00 O ATOM 1891 CB VAL A 119 -3.044 -30.285 21.661 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -4.020 -29.514 22.596 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -3.049 -29.660 20.248 1.00 0.00 C ATOM 0 H VAL A 119 -1.082 -31.515 20.565 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.198 -29.333 22.348 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.396 -31.314 21.583 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.013 -29.493 22.147 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.069 -30.015 23.563 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.662 -28.494 22.734 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.070 -29.631 19.867 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.651 -28.646 20.297 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.430 -30.261 19.582 1.00 0.00 H new ATOM 1903 N SER A 120 -1.562 -32.334 23.714 1.00 0.00 N ATOM 1904 CA SER A 120 -1.654 -33.109 24.972 1.00 0.00 C ATOM 1905 C SER A 120 -0.345 -33.032 25.778 1.00 0.00 C ATOM 1906 O SER A 120 -0.335 -33.318 26.980 1.00 0.00 O ATOM 1907 CB SER A 120 -2.019 -34.572 24.651 1.00 0.00 C ATOM 1908 OG SER A 120 -3.262 -34.650 23.968 1.00 0.00 O ATOM 0 H SER A 120 -1.440 -32.914 22.884 1.00 0.00 H new ATOM 0 HA SER A 120 -2.438 -32.674 25.592 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.236 -35.020 24.040 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.071 -35.148 25.575 1.00 0.00 H new ATOM 0 HG SER A 120 -3.470 -35.588 23.774 1.00 0.00 H new ATOM 1914 N GLN A 121 0.753 -32.653 25.098 1.00 0.00 N ATOM 1915 CA GLN A 121 2.061 -32.424 25.728 1.00 0.00 C ATOM 1916 C GLN A 121 1.966 -31.196 26.657 1.00 0.00 C ATOM 1917 O GLN A 121 1.992 -30.049 26.196 1.00 0.00 O ATOM 1918 CB GLN A 121 3.131 -32.217 24.624 1.00 0.00 C ATOM 1919 CG GLN A 121 4.573 -32.034 25.124 1.00 0.00 C ATOM 1920 CD GLN A 121 5.538 -31.620 24.005 1.00 0.00 C ATOM 1921 OE1 GLN A 121 5.757 -30.435 23.775 1.00 0.00 O ATOM 1922 NE2 GLN A 121 6.093 -32.585 23.291 1.00 0.00 N ATOM 0 H GLN A 121 0.755 -32.497 24.090 1.00 0.00 H new ATOM 0 HA GLN A 121 2.353 -33.286 26.328 1.00 0.00 H new ATOM 0 HB2 GLN A 121 3.104 -33.075 23.952 1.00 0.00 H new ATOM 0 HB3 GLN A 121 2.856 -31.342 24.035 1.00 0.00 H new ATOM 0 HG2 GLN A 121 4.588 -31.278 25.910 1.00 0.00 H new ATOM 0 HG3 GLN A 121 4.919 -32.966 25.571 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.890 -33.561 23.508 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.724 -32.353 22.524 1.00 0.00 H new ATOM 1931 N LYS A 122 1.796 -31.446 27.963 1.00 0.00 N ATOM 1932 CA LYS A 122 1.590 -30.383 28.959 1.00 0.00 C ATOM 1933 C LYS A 122 2.189 -30.809 30.308 1.00 0.00 C ATOM 1934 O LYS A 122 1.718 -31.767 30.932 1.00 0.00 O ATOM 1935 CB LYS A 122 0.071 -30.051 29.101 1.00 0.00 C ATOM 1936 CG LYS A 122 -0.290 -28.883 30.075 1.00 0.00 C ATOM 1937 CD LYS A 122 -0.323 -27.452 29.439 1.00 0.00 C ATOM 1938 CE LYS A 122 1.048 -26.892 28.980 1.00 0.00 C ATOM 1939 NZ LYS A 122 1.446 -27.340 27.618 1.00 0.00 N ATOM 0 H LYS A 122 1.797 -32.386 28.358 1.00 0.00 H new ATOM 0 HA LYS A 122 2.099 -29.479 28.624 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.321 -29.807 28.113 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -0.447 -30.950 29.436 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.267 -29.088 30.512 1.00 0.00 H new ATOM 0 HG3 LYS A 122 0.431 -28.880 30.892 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.994 -27.471 28.580 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.753 -26.761 30.164 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.012 -25.803 28.999 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.814 -27.198 29.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.428 -27.680 27.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.819 -28.110 27.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.369 -26.543 26.954 1.00 0.00 H new ATOM 1953 N SER A 123 3.252 -30.102 30.727 1.00 0.00 N ATOM 1954 CA SER A 123 3.907 -30.324 32.019 1.00 0.00 C ATOM 1955 C SER A 123 3.253 -29.389 33.075 1.00 0.00 C ATOM 1956 O SER A 123 2.281 -29.816 33.745 1.00 0.00 O ATOM 1957 CB SER A 123 5.440 -30.090 31.873 1.00 0.00 C ATOM 1958 OG SER A 123 6.140 -30.389 33.073 1.00 0.00 O ATOM 1959 OXT SER A 123 3.672 -28.218 33.204 1.00 0.00 O ATOM 0 H SER A 123 3.680 -29.359 30.174 1.00 0.00 H new ATOM 0 HA SER A 123 3.774 -31.352 32.356 1.00 0.00 H new ATOM 0 HB2 SER A 123 5.826 -30.710 31.064 1.00 0.00 H new ATOM 0 HB3 SER A 123 5.624 -29.052 31.595 1.00 0.00 H new ATOM 0 HG SER A 123 7.098 -30.231 32.941 1.00 0.00 H new TER 1965 SER A 123