USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 760 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 70 GLN : amide:sc= -1.81 X(o=-3.3,f=-3.1!) USER MOD Set 1.2: B 102 THR OG1 : rot -100:sc= -1.49 USER MOD Set 2.1: A 20 SER OG : rot -76:sc= 0.0429 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 147:sc= -0.867 (180deg=-2.74!) USER MOD Set 2.3: B 101 SER OG : rot -176:sc= 0.0655 USER MOD Set 3.1: A 17 MET CE :methyl 165:sc= -1.3 (180deg=-0.842) USER MOD Set 3.2: A 77 MET CE :methyl -104:sc= -8.87! (180deg=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= 0.0149 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.00382 K(o=-0.0038,f=-0.93) USER MOD Single : A 15 ASN : amide:sc=-0.00901 X(o=-0.009,f=0.24) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.085) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 1.01 (180deg=-0.0538) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 39:sc= 0.688 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.702 (180deg=-1.16) USER MOD Single : A 56 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 41:sc= 0.0348 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -59:sc= -0.141 USER MOD Single : A 80 THR OG1 : rot -161:sc= 0.14 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 69:sc= 0.776 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.516 12.526 -20.001 1.00 0.00 N ATOM 2 CA MET A 1 -7.700 11.063 -20.209 1.00 0.00 C ATOM 3 C MET A 1 -6.900 10.252 -19.190 1.00 0.00 C ATOM 4 O MET A 1 -6.205 10.819 -18.345 1.00 0.00 O ATOM 5 CB MET A 1 -7.262 10.708 -21.635 1.00 0.00 C ATOM 6 CG MET A 1 -8.235 9.794 -22.364 1.00 0.00 C ATOM 7 SD MET A 1 -7.471 8.931 -23.749 1.00 0.00 S ATOM 8 CE MET A 1 -7.304 10.268 -24.929 1.00 0.00 C ATOM 0 H1 MET A 1 -8.368 13.031 -20.317 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.355 12.716 -18.991 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.696 12.854 -20.549 1.00 0.00 H new ATOM 0 HA MET A 1 -8.752 10.814 -20.070 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.142 11.627 -22.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.285 10.227 -21.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.636 9.063 -21.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.077 10.382 -22.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.845 9.891 -25.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.288 10.676 -25.159 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.677 11.052 -24.504 1.00 0.00 H new ATOM 20 N LYS A 2 -7.009 8.923 -19.277 1.00 0.00 N ATOM 21 CA LYS A 2 -6.306 8.021 -18.365 1.00 0.00 C ATOM 22 C LYS A 2 -6.790 8.217 -16.926 1.00 0.00 C ATOM 23 O LYS A 2 -6.167 8.934 -16.141 1.00 0.00 O ATOM 24 CB LYS A 2 -4.788 8.231 -18.453 1.00 0.00 C ATOM 25 CG LYS A 2 -4.025 6.972 -18.832 1.00 0.00 C ATOM 26 CD LYS A 2 -2.566 7.272 -19.140 1.00 0.00 C ATOM 27 CE LYS A 2 -1.787 6.000 -19.449 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.438 5.244 -18.213 1.00 0.00 N ATOM 0 H LYS A 2 -7.581 8.448 -19.975 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.529 6.997 -18.666 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.578 9.009 -19.187 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.422 8.593 -17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.084 6.251 -18.017 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.493 6.510 -19.701 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.505 7.952 -19.989 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.111 7.781 -18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.378 5.364 -20.108 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.874 6.256 -19.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.909 4.386 -18.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.852 5.841 -17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.309 4.977 -17.712 1.00 0.00 H new ATOM 42 N GLU A 3 -7.913 7.578 -16.593 1.00 0.00 N ATOM 43 CA GLU A 3 -8.492 7.681 -15.255 1.00 0.00 C ATOM 44 C GLU A 3 -8.605 6.305 -14.600 1.00 0.00 C ATOM 45 O GLU A 3 -9.627 5.627 -14.737 1.00 0.00 O ATOM 46 CB GLU A 3 -9.872 8.343 -15.325 1.00 0.00 C ATOM 47 CG GLU A 3 -10.009 9.555 -14.419 1.00 0.00 C ATOM 48 CD GLU A 3 -10.632 9.217 -13.078 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.876 9.125 -13.007 1.00 0.00 O ATOM 50 OE2 GLU A 3 -9.876 9.046 -12.098 1.00 0.00 O ATOM 0 H GLU A 3 -8.439 6.983 -17.233 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.831 8.297 -14.646 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.070 8.644 -16.354 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.632 7.610 -15.055 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.025 9.995 -14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.618 10.309 -14.918 1.00 0.00 H new ATOM 57 N PRO A 4 -7.547 5.870 -13.881 1.00 0.00 N ATOM 58 CA PRO A 4 -7.525 4.566 -13.201 1.00 0.00 C ATOM 59 C PRO A 4 -8.599 4.444 -12.117 1.00 0.00 C ATOM 60 O PRO A 4 -9.465 5.311 -11.983 1.00 0.00 O ATOM 61 CB PRO A 4 -6.126 4.508 -12.570 1.00 0.00 C ATOM 62 CG PRO A 4 -5.323 5.526 -13.302 1.00 0.00 C ATOM 63 CD PRO A 4 -6.290 6.610 -13.681 1.00 0.00 C ATOM 0 HA PRO A 4 -7.731 3.752 -13.896 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.166 4.731 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.689 3.515 -12.672 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.522 5.918 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.854 5.093 -14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.383 7.361 -12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.979 7.131 -14.586 1.00 0.00 H new ATOM 71 N GLU A 5 -8.528 3.362 -11.340 1.00 0.00 N ATOM 72 CA GLU A 5 -9.484 3.120 -10.265 1.00 0.00 C ATOM 73 C GLU A 5 -8.800 3.211 -8.906 1.00 0.00 C ATOM 74 O GLU A 5 -8.260 2.226 -8.395 1.00 0.00 O ATOM 75 CB GLU A 5 -10.145 1.751 -10.435 1.00 0.00 C ATOM 76 CG GLU A 5 -11.273 1.489 -9.446 1.00 0.00 C ATOM 77 CD GLU A 5 -12.125 0.294 -9.830 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.627 -0.847 -9.733 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.291 0.500 -10.227 1.00 0.00 O ATOM 0 H GLU A 5 -7.815 2.639 -11.438 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.255 3.888 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.537 1.670 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.388 0.975 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.850 1.325 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.905 2.374 -9.380 1.00 0.00 H new ATOM 86 N ILE A 6 -8.830 4.406 -8.330 1.00 0.00 N ATOM 87 CA ILE A 6 -8.221 4.654 -7.029 1.00 0.00 C ATOM 88 C ILE A 6 -9.260 4.541 -5.915 1.00 0.00 C ATOM 89 O ILE A 6 -10.343 5.124 -6.005 1.00 0.00 O ATOM 90 CB ILE A 6 -7.567 6.051 -6.979 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.613 6.248 -8.165 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.833 6.253 -5.660 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.519 5.204 -8.260 1.00 0.00 C ATOM 0 H ILE A 6 -9.273 5.225 -8.747 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.450 3.898 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.357 6.799 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.192 6.237 -9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.154 7.234 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.379 7.244 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.538 6.164 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.056 5.496 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.889 5.415 -9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.913 5.228 -7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.967 4.216 -8.370 1.00 0.00 H new ATOM 105 N ILE A 7 -8.924 3.788 -4.866 1.00 0.00 N ATOM 106 CA ILE A 7 -9.832 3.596 -3.735 1.00 0.00 C ATOM 107 C ILE A 7 -9.061 3.422 -2.428 1.00 0.00 C ATOM 108 O ILE A 7 -7.984 2.824 -2.407 1.00 0.00 O ATOM 109 CB ILE A 7 -10.753 2.369 -3.935 1.00 0.00 C ATOM 110 CG1 ILE A 7 -9.923 1.102 -4.176 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.721 2.602 -5.087 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.024 0.091 -3.054 1.00 0.00 C ATOM 0 H ILE A 7 -8.032 3.302 -4.777 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.446 4.495 -3.681 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.335 2.230 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.249 0.635 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.878 1.382 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.359 1.726 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.339 3.474 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.159 2.773 -6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.412 -0.779 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.670 0.541 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.063 -0.218 -2.935 1.00 0.00 H new ATOM 124 N THR A 8 -9.627 3.942 -1.339 1.00 0.00 N ATOM 125 CA THR A 8 -8.998 3.840 -0.024 1.00 0.00 C ATOM 126 C THR A 8 -9.830 2.962 0.910 1.00 0.00 C ATOM 127 O THR A 8 -11.026 3.196 1.093 1.00 0.00 O ATOM 128 CB THR A 8 -8.812 5.230 0.598 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.592 6.215 -0.399 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.656 5.295 1.573 1.00 0.00 C ATOM 0 H THR A 8 -10.519 4.437 -1.342 1.00 0.00 H new ATOM 0 HA THR A 8 -8.019 3.380 -0.158 1.00 0.00 H new ATOM 0 HB THR A 8 -9.739 5.426 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.479 7.091 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.578 6.304 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.826 4.590 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.731 5.038 1.058 1.00 0.00 H new ATOM 138 N VAL A 9 -9.186 1.956 1.499 1.00 0.00 N ATOM 139 CA VAL A 9 -9.862 1.044 2.420 1.00 0.00 C ATOM 140 C VAL A 9 -9.585 1.428 3.871 1.00 0.00 C ATOM 141 O VAL A 9 -8.448 1.339 4.337 1.00 0.00 O ATOM 142 CB VAL A 9 -9.435 -0.426 2.196 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.081 -0.981 0.936 1.00 0.00 C ATOM 144 CG2 VAL A 9 -7.916 -0.554 2.129 1.00 0.00 C ATOM 0 H VAL A 9 -8.197 1.752 1.355 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.929 1.131 2.216 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.780 -1.013 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.770 -2.016 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.166 -0.938 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.771 -0.387 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.645 -1.598 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.536 0.048 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.480 -0.204 3.064 1.00 0.00 H new ATOM 154 N THR A 10 -10.628 1.856 4.576 1.00 0.00 N ATOM 155 CA THR A 10 -10.499 2.256 5.974 1.00 0.00 C ATOM 156 C THR A 10 -10.962 1.129 6.898 1.00 0.00 C ATOM 157 O THR A 10 -12.147 1.024 7.220 1.00 0.00 O ATOM 158 CB THR A 10 -11.308 3.530 6.244 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.355 4.353 5.091 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.749 4.361 7.379 1.00 0.00 C ATOM 0 H THR A 10 -11.574 1.935 4.202 1.00 0.00 H new ATOM 0 HA THR A 10 -9.448 2.462 6.177 1.00 0.00 H new ATOM 0 HB THR A 10 -12.304 3.185 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.877 5.159 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.367 5.248 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.748 3.771 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.729 4.663 7.141 1.00 0.00 H new ATOM 168 N LEU A 11 -10.020 0.283 7.313 1.00 0.00 N ATOM 169 CA LEU A 11 -10.330 -0.843 8.192 1.00 0.00 C ATOM 170 C LEU A 11 -9.631 -0.698 9.545 1.00 0.00 C ATOM 171 O LEU A 11 -8.827 0.216 9.744 1.00 0.00 O ATOM 172 CB LEU A 11 -9.917 -2.159 7.526 1.00 0.00 C ATOM 173 CG LEU A 11 -10.780 -2.582 6.334 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.120 -3.723 5.574 1.00 0.00 C ATOM 175 CD2 LEU A 11 -12.174 -2.980 6.798 1.00 0.00 C ATOM 0 H LEU A 11 -9.036 0.356 7.054 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.406 -0.850 8.366 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.883 -2.071 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.945 -2.951 8.274 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.874 -1.732 5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.748 -4.010 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.145 -3.400 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.993 -4.577 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.773 -3.278 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.101 -3.815 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.648 -2.133 7.294 1.00 0.00 H new ATOM 187 N LYS A 12 -9.944 -1.606 10.473 1.00 0.00 N ATOM 188 CA LYS A 12 -9.346 -1.580 11.806 1.00 0.00 C ATOM 189 C LYS A 12 -8.242 -2.632 11.933 1.00 0.00 C ATOM 190 O LYS A 12 -8.164 -3.564 11.130 1.00 0.00 O ATOM 191 CB LYS A 12 -10.418 -1.807 12.877 1.00 0.00 C ATOM 192 CG LYS A 12 -10.736 -0.562 13.693 1.00 0.00 C ATOM 193 CD LYS A 12 -11.306 0.550 12.822 1.00 0.00 C ATOM 194 CE LYS A 12 -12.814 0.421 12.660 1.00 0.00 C ATOM 195 NZ LYS A 12 -13.551 0.954 13.840 1.00 0.00 N ATOM 0 H LYS A 12 -10.607 -2.366 10.324 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.900 -0.597 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.331 -2.160 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.086 -2.598 13.550 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.450 -0.813 14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.831 -0.210 14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.069 1.517 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.831 0.524 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.129 0.956 11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.074 -0.627 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.574 0.846 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.270 0.427 14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.324 1.961 13.965 1.00 0.00 H new ATOM 209 N LYS A 13 -7.386 -2.471 12.945 1.00 0.00 N ATOM 210 CA LYS A 13 -6.282 -3.400 13.174 1.00 0.00 C ATOM 211 C LYS A 13 -6.657 -4.476 14.193 1.00 0.00 C ATOM 212 O LYS A 13 -6.860 -4.184 15.374 1.00 0.00 O ATOM 213 CB LYS A 13 -5.039 -2.640 13.648 1.00 0.00 C ATOM 214 CG LYS A 13 -3.727 -3.331 13.303 1.00 0.00 C ATOM 215 CD LYS A 13 -2.937 -3.695 14.552 1.00 0.00 C ATOM 216 CE LYS A 13 -1.843 -2.676 14.842 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.956 -3.109 15.960 1.00 0.00 N ATOM 0 H LYS A 13 -7.438 -1.706 13.617 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.063 -3.894 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.042 -1.645 13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.096 -2.507 14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.931 -4.233 12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.127 -2.677 12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.613 -3.757 15.405 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.491 -4.682 14.426 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.245 -2.521 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.298 -1.717 15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.226 -2.387 16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.521 -3.232 16.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.501 -4.011 15.713 1.00 0.00 H new ATOM 231 N GLN A 14 -6.731 -5.722 13.728 1.00 0.00 N ATOM 232 CA GLN A 14 -7.062 -6.854 14.593 1.00 0.00 C ATOM 233 C GLN A 14 -5.800 -7.633 14.957 1.00 0.00 C ATOM 234 O GLN A 14 -5.624 -8.050 16.103 1.00 0.00 O ATOM 235 CB GLN A 14 -8.069 -7.778 13.905 1.00 0.00 C ATOM 236 CG GLN A 14 -9.516 -7.428 14.210 1.00 0.00 C ATOM 237 CD GLN A 14 -10.000 -6.219 13.431 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.247 -5.157 14.003 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.137 -6.372 12.118 1.00 0.00 N ATOM 0 H GLN A 14 -6.566 -5.974 12.754 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.511 -6.467 15.507 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.912 -7.736 12.827 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.878 -8.806 14.215 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.150 -8.284 13.977 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.622 -7.234 15.277 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.921 -7.269 11.684 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.458 -5.592 11.544 1.00 0.00 H new ATOM 248 N ASN A 15 -4.924 -7.819 13.969 1.00 0.00 N ATOM 249 CA ASN A 15 -3.669 -8.536 14.170 1.00 0.00 C ATOM 250 C ASN A 15 -2.699 -8.256 13.017 1.00 0.00 C ATOM 251 O ASN A 15 -2.066 -9.169 12.483 1.00 0.00 O ATOM 252 CB ASN A 15 -3.928 -10.042 14.296 1.00 0.00 C ATOM 253 CG ASN A 15 -2.807 -10.761 15.028 1.00 0.00 C ATOM 254 OD1 ASN A 15 -1.792 -11.120 14.432 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.981 -10.971 16.329 1.00 0.00 N ATOM 0 H ASN A 15 -5.064 -7.480 13.017 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.215 -8.183 15.096 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.867 -10.204 14.825 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.044 -10.473 13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.258 -11.445 16.870 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.837 -10.658 16.786 1.00 0.00 H new ATOM 262 N GLY A 16 -2.596 -6.981 12.633 1.00 0.00 N ATOM 263 CA GLY A 16 -1.713 -6.597 11.544 1.00 0.00 C ATOM 264 C GLY A 16 -2.402 -6.657 10.193 1.00 0.00 C ATOM 265 O GLY A 16 -3.356 -7.417 10.013 1.00 0.00 O ATOM 0 H GLY A 16 -3.110 -6.209 13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.346 -5.585 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.844 -7.255 11.535 1.00 0.00 H new ATOM 269 N MET A 17 -1.921 -5.856 9.241 1.00 0.00 N ATOM 270 CA MET A 17 -2.502 -5.828 7.899 1.00 0.00 C ATOM 271 C MET A 17 -2.387 -7.193 7.223 1.00 0.00 C ATOM 272 O MET A 17 -3.367 -7.706 6.679 1.00 0.00 O ATOM 273 CB MET A 17 -1.820 -4.761 7.038 1.00 0.00 C ATOM 274 CG MET A 17 -2.508 -3.406 7.088 1.00 0.00 C ATOM 275 SD MET A 17 -1.520 -2.158 7.934 1.00 0.00 S ATOM 276 CE MET A 17 -0.175 -1.942 6.771 1.00 0.00 C ATOM 0 H MET A 17 -1.134 -5.221 9.374 1.00 0.00 H new ATOM 0 HA MET A 17 -3.559 -5.579 7.999 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.787 -4.647 7.367 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.789 -5.105 6.004 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.717 -3.071 6.072 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.468 -3.508 7.594 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.371 -1.030 7.011 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.500 -2.796 6.833 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.576 -1.869 5.760 1.00 0.00 H new ATOM 286 N GLY A 18 -1.188 -7.777 7.264 1.00 0.00 N ATOM 287 CA GLY A 18 -0.972 -9.077 6.656 1.00 0.00 C ATOM 288 C GLY A 18 -0.849 -9.007 5.146 1.00 0.00 C ATOM 289 O GLY A 18 -1.733 -9.465 4.426 1.00 0.00 O ATOM 0 H GLY A 18 -0.365 -7.370 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.066 -9.520 7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.798 -9.737 6.918 1.00 0.00 H new ATOM 293 N LEU A 19 0.250 -8.428 4.670 1.00 0.00 N ATOM 294 CA LEU A 19 0.505 -8.300 3.234 1.00 0.00 C ATOM 295 C LEU A 19 1.991 -8.050 2.972 1.00 0.00 C ATOM 296 O LEU A 19 2.778 -7.933 3.908 1.00 0.00 O ATOM 297 CB LEU A 19 -0.339 -7.168 2.638 1.00 0.00 C ATOM 298 CG LEU A 19 0.027 -5.771 3.133 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.981 -5.092 2.162 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.222 -4.927 3.341 1.00 0.00 C ATOM 0 H LEU A 19 0.984 -8.037 5.261 1.00 0.00 H new ATOM 0 HA LEU A 19 0.222 -9.235 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.240 -7.192 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.388 -7.356 2.866 1.00 0.00 H new ATOM 0 HG LEU A 19 0.531 -5.871 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.230 -4.098 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.892 -5.684 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.506 -5.007 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.937 -3.936 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.760 -4.835 2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.865 -5.404 4.081 1.00 0.00 H new ATOM 312 N SER A 20 2.367 -7.966 1.699 1.00 0.00 N ATOM 313 CA SER A 20 3.757 -7.727 1.323 1.00 0.00 C ATOM 314 C SER A 20 3.840 -6.730 0.171 1.00 0.00 C ATOM 315 O SER A 20 3.094 -6.837 -0.803 1.00 0.00 O ATOM 316 CB SER A 20 4.427 -9.044 0.932 1.00 0.00 C ATOM 317 OG SER A 20 4.766 -9.807 2.077 1.00 0.00 O ATOM 0 H SER A 20 1.728 -8.060 0.910 1.00 0.00 H new ATOM 0 HA SER A 20 4.280 -7.304 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.757 -9.620 0.293 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.325 -8.839 0.349 1.00 0.00 H new ATOM 0 HG SER A 20 5.565 -9.427 2.499 1.00 0.00 H new ATOM 323 N ILE A 21 4.743 -5.754 0.291 1.00 0.00 N ATOM 324 CA ILE A 21 4.904 -4.731 -0.744 1.00 0.00 C ATOM 325 C ILE A 21 6.318 -4.708 -1.322 1.00 0.00 C ATOM 326 O ILE A 21 7.245 -5.282 -0.749 1.00 0.00 O ATOM 327 CB ILE A 21 4.566 -3.323 -0.202 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.606 -2.867 0.831 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.169 -3.312 0.402 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.822 -2.197 0.222 1.00 0.00 C ATOM 0 H ILE A 21 5.370 -5.651 1.089 1.00 0.00 H new ATOM 0 HA ILE A 21 4.206 -4.996 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 21 4.591 -2.621 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.133 -2.175 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.931 -3.731 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.944 -2.315 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.440 -3.584 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.121 -4.030 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.511 -1.903 1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.321 -2.893 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.510 -1.313 -0.334 1.00 0.00 H new ATOM 342 N VAL A 22 6.468 -4.022 -2.458 1.00 0.00 N ATOM 343 CA VAL A 22 7.760 -3.890 -3.129 1.00 0.00 C ATOM 344 C VAL A 22 7.838 -2.562 -3.885 1.00 0.00 C ATOM 345 O VAL A 22 6.880 -2.158 -4.549 1.00 0.00 O ATOM 346 CB VAL A 22 8.017 -5.049 -4.123 1.00 0.00 C ATOM 347 CG1 VAL A 22 9.398 -4.930 -4.756 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.861 -6.399 -3.439 1.00 0.00 C ATOM 0 H VAL A 22 5.702 -3.546 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 22 8.525 -3.923 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 22 7.271 -4.978 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.553 -5.756 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.471 -3.985 -5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.159 -4.963 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.047 -7.196 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.576 -6.477 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.848 -6.493 -3.047 1.00 0.00 H new ATOM 358 N ALA A 23 8.984 -1.892 -3.782 1.00 0.00 N ATOM 359 CA ALA A 23 9.191 -0.614 -4.458 1.00 0.00 C ATOM 360 C ALA A 23 9.746 -0.826 -5.865 1.00 0.00 C ATOM 361 O ALA A 23 10.785 -1.465 -6.038 1.00 0.00 O ATOM 362 CB ALA A 23 10.126 0.269 -3.642 1.00 0.00 C ATOM 0 H ALA A 23 9.784 -2.214 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 23 8.227 -0.113 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.272 1.218 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.689 0.452 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.087 -0.231 -3.524 1.00 0.00 H new ATOM 368 N ALA A 24 9.046 -0.290 -6.867 1.00 0.00 N ATOM 369 CA ALA A 24 9.472 -0.429 -8.260 1.00 0.00 C ATOM 370 C ALA A 24 9.277 0.871 -9.042 1.00 0.00 C ATOM 371 O ALA A 24 8.468 1.722 -8.663 1.00 0.00 O ATOM 372 CB ALA A 24 8.713 -1.567 -8.929 1.00 0.00 C ATOM 0 H ALA A 24 8.185 0.242 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 24 10.538 -0.659 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.038 -1.661 -9.965 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.913 -2.499 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.644 -1.357 -8.902 1.00 0.00 H new ATOM 378 N LYS A 25 10.026 1.011 -10.139 1.00 0.00 N ATOM 379 CA LYS A 25 9.944 2.200 -10.988 1.00 0.00 C ATOM 380 C LYS A 25 9.595 1.822 -12.429 1.00 0.00 C ATOM 381 O LYS A 25 9.431 0.642 -12.750 1.00 0.00 O ATOM 382 CB LYS A 25 11.272 2.967 -10.953 1.00 0.00 C ATOM 383 CG LYS A 25 11.112 4.450 -10.658 1.00 0.00 C ATOM 384 CD LYS A 25 12.458 5.151 -10.563 1.00 0.00 C ATOM 385 CE LYS A 25 12.391 6.367 -9.651 1.00 0.00 C ATOM 386 NZ LYS A 25 13.650 6.555 -8.876 1.00 0.00 N ATOM 0 H LYS A 25 10.697 0.313 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 25 9.151 2.840 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.919 2.522 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.776 2.848 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.514 4.915 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.567 4.579 -9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.207 4.454 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.780 5.458 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.197 7.258 -10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.554 6.257 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.561 7.394 -8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.823 5.716 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.446 6.686 -9.533 1.00 0.00 H new ATOM 400 N GLY A 26 9.487 2.832 -13.295 1.00 0.00 N ATOM 401 CA GLY A 26 9.163 2.594 -14.688 1.00 0.00 C ATOM 402 C GLY A 26 9.418 3.816 -15.540 1.00 0.00 C ATOM 403 O GLY A 26 10.396 4.536 -15.322 1.00 0.00 O ATOM 0 H GLY A 26 9.620 3.813 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.757 1.760 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.116 2.303 -14.773 1.00 0.00 H new ATOM 407 N ALA A 27 8.536 4.062 -16.500 1.00 0.00 N ATOM 408 CA ALA A 27 8.673 5.219 -17.371 1.00 0.00 C ATOM 409 C ALA A 27 7.622 6.273 -17.040 1.00 0.00 C ATOM 410 O ALA A 27 6.508 5.942 -16.626 1.00 0.00 O ATOM 411 CB ALA A 27 8.578 4.810 -18.834 1.00 0.00 C ATOM 0 H ALA A 27 7.722 3.478 -16.694 1.00 0.00 H new ATOM 0 HA ALA A 27 9.658 5.653 -17.202 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.683 5.692 -19.466 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.372 4.101 -19.066 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.610 4.344 -19.019 1.00 0.00 H new ATOM 417 N GLY A 28 7.988 7.544 -17.212 1.00 0.00 N ATOM 418 CA GLY A 28 7.068 8.628 -16.908 1.00 0.00 C ATOM 419 C GLY A 28 6.647 8.617 -15.451 1.00 0.00 C ATOM 420 O GLY A 28 5.493 8.900 -15.125 1.00 0.00 O ATOM 0 H GLY A 28 8.902 7.840 -17.555 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.540 9.582 -17.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.185 8.544 -17.542 1.00 0.00 H new ATOM 424 N GLN A 29 7.592 8.271 -14.575 1.00 0.00 N ATOM 425 CA GLN A 29 7.330 8.202 -13.147 1.00 0.00 C ATOM 426 C GLN A 29 8.399 8.952 -12.363 1.00 0.00 C ATOM 427 O GLN A 29 9.528 8.474 -12.223 1.00 0.00 O ATOM 428 CB GLN A 29 7.284 6.744 -12.693 1.00 0.00 C ATOM 429 CG GLN A 29 6.428 6.520 -11.457 1.00 0.00 C ATOM 430 CD GLN A 29 5.233 5.628 -11.730 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.110 5.939 -11.331 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.465 4.511 -12.413 1.00 0.00 N ATOM 0 H GLN A 29 8.549 8.034 -14.837 1.00 0.00 H new ATOM 0 HA GLN A 29 6.365 8.671 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.899 6.130 -13.508 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.299 6.403 -12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.039 6.073 -10.673 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.080 7.482 -11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.411 4.291 -12.725 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.697 3.874 -12.625 1.00 0.00 H new ATOM 441 N ASP A 30 8.037 10.121 -11.841 1.00 0.00 N ATOM 442 CA ASP A 30 8.966 10.928 -11.056 1.00 0.00 C ATOM 443 C ASP A 30 8.897 10.570 -9.567 1.00 0.00 C ATOM 444 O ASP A 30 9.351 11.333 -8.713 1.00 0.00 O ATOM 445 CB ASP A 30 8.672 12.418 -11.256 1.00 0.00 C ATOM 446 CG ASP A 30 9.785 13.305 -10.738 1.00 0.00 C ATOM 447 OD1 ASP A 30 10.910 13.218 -11.271 1.00 0.00 O ATOM 448 OD2 ASP A 30 9.531 14.085 -9.795 1.00 0.00 O ATOM 0 H ASP A 30 7.109 10.530 -11.947 1.00 0.00 H new ATOM 0 HA ASP A 30 9.976 10.713 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.519 12.615 -12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.742 12.673 -10.747 1.00 0.00 H new ATOM 453 N LYS A 31 8.334 9.400 -9.265 1.00 0.00 N ATOM 454 CA LYS A 31 8.206 8.932 -7.888 1.00 0.00 C ATOM 455 C LYS A 31 8.367 7.412 -7.818 1.00 0.00 C ATOM 456 O LYS A 31 8.731 6.770 -8.807 1.00 0.00 O ATOM 457 CB LYS A 31 6.841 9.342 -7.311 1.00 0.00 C ATOM 458 CG LYS A 31 6.513 10.820 -7.483 1.00 0.00 C ATOM 459 CD LYS A 31 7.295 11.692 -6.510 1.00 0.00 C ATOM 460 CE LYS A 31 6.729 13.104 -6.445 1.00 0.00 C ATOM 461 NZ LYS A 31 5.674 13.238 -5.400 1.00 0.00 N ATOM 0 H LYS A 31 7.958 8.757 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 31 8.995 9.393 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.062 8.749 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.819 9.097 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.737 11.125 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.445 10.975 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.270 11.243 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.341 11.732 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.535 13.808 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.313 13.372 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.776 13.514 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.552 12.328 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.957 13.965 -4.712 1.00 0.00 H new ATOM 475 N LEU A 32 8.089 6.841 -6.646 1.00 0.00 N ATOM 476 CA LEU A 32 8.192 5.399 -6.448 1.00 0.00 C ATOM 477 C LEU A 32 6.869 4.833 -5.945 1.00 0.00 C ATOM 478 O LEU A 32 6.202 5.444 -5.105 1.00 0.00 O ATOM 479 CB LEU A 32 9.316 5.068 -5.462 1.00 0.00 C ATOM 480 CG LEU A 32 10.190 3.868 -5.847 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.745 4.030 -7.257 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.321 3.693 -4.843 1.00 0.00 C ATOM 0 H LEU A 32 7.790 7.358 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 32 8.426 4.940 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.956 5.944 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.875 4.877 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 32 9.568 2.973 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.361 3.166 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.921 4.105 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.351 4.935 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.933 2.838 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.938 4.592 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.903 3.524 -3.850 1.00 0.00 H new ATOM 494 N GLY A 33 6.491 3.668 -6.468 1.00 0.00 N ATOM 495 CA GLY A 33 5.244 3.044 -6.068 1.00 0.00 C ATOM 496 C GLY A 33 5.446 1.842 -5.163 1.00 0.00 C ATOM 497 O GLY A 33 6.275 0.975 -5.447 1.00 0.00 O ATOM 0 H GLY A 33 7.027 3.147 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.625 3.779 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.697 2.734 -6.958 1.00 0.00 H new ATOM 501 N ILE A 34 4.680 1.790 -4.072 1.00 0.00 N ATOM 502 CA ILE A 34 4.766 0.685 -3.119 1.00 0.00 C ATOM 503 C ILE A 34 3.760 -0.410 -3.476 1.00 0.00 C ATOM 504 O ILE A 34 2.755 -0.600 -2.790 1.00 0.00 O ATOM 505 CB ILE A 34 4.515 1.172 -1.671 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.362 2.410 -1.370 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.816 0.067 -0.668 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.852 2.183 -1.528 1.00 0.00 C ATOM 0 H ILE A 34 3.992 2.502 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 34 5.775 0.278 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 34 3.462 1.439 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.055 3.219 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.160 2.738 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.632 0.433 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.172 -0.790 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.859 -0.234 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.387 3.104 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.175 1.396 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.068 1.885 -2.554 1.00 0.00 H new ATOM 520 N TYR A 35 4.038 -1.120 -4.567 1.00 0.00 N ATOM 521 CA TYR A 35 3.160 -2.190 -5.037 1.00 0.00 C ATOM 522 C TYR A 35 3.066 -3.331 -4.026 1.00 0.00 C ATOM 523 O TYR A 35 3.849 -3.402 -3.080 1.00 0.00 O ATOM 524 CB TYR A 35 3.650 -2.733 -6.379 1.00 0.00 C ATOM 525 CG TYR A 35 3.883 -1.666 -7.422 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.817 -1.050 -8.061 1.00 0.00 C ATOM 527 CD2 TYR A 35 5.171 -1.274 -7.766 1.00 0.00 C ATOM 528 CE1 TYR A 35 3.025 -0.078 -9.016 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.387 -0.302 -8.722 1.00 0.00 C ATOM 530 CZ TYR A 35 4.311 0.295 -9.343 1.00 0.00 C ATOM 531 OH TYR A 35 4.525 1.263 -10.300 1.00 0.00 O ATOM 0 H TYR A 35 4.866 -0.973 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 35 2.165 -1.761 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.578 -3.282 -6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.919 -3.446 -6.760 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.807 -1.337 -7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.016 -1.737 -7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.184 0.389 -9.506 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.394 -0.011 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 35 5.488 1.408 -10.409 1.00 0.00 H new ATOM 541 N VAL A 36 2.102 -4.225 -4.244 1.00 0.00 N ATOM 542 CA VAL A 36 1.897 -5.372 -3.361 1.00 0.00 C ATOM 543 C VAL A 36 2.240 -6.681 -4.071 1.00 0.00 C ATOM 544 O VAL A 36 1.710 -6.974 -5.144 1.00 0.00 O ATOM 545 CB VAL A 36 0.443 -5.437 -2.848 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.261 -6.593 -1.874 1.00 0.00 C ATOM 547 CG2 VAL A 36 0.048 -4.121 -2.194 1.00 0.00 C ATOM 0 H VAL A 36 1.450 -4.176 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 36 2.565 -5.240 -2.510 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.210 -5.608 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.772 -6.617 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.498 -7.532 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.927 -6.459 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.980 -4.186 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.711 -3.919 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.130 -3.314 -2.922 1.00 0.00 H new ATOM 557 N LYS A 37 3.130 -7.462 -3.461 1.00 0.00 N ATOM 558 CA LYS A 37 3.553 -8.743 -4.026 1.00 0.00 C ATOM 559 C LYS A 37 2.619 -9.880 -3.605 1.00 0.00 C ATOM 560 O LYS A 37 2.357 -10.792 -4.391 1.00 0.00 O ATOM 561 CB LYS A 37 4.994 -9.062 -3.611 1.00 0.00 C ATOM 562 CG LYS A 37 5.171 -9.297 -2.118 1.00 0.00 C ATOM 563 CD LYS A 37 6.640 -9.289 -1.723 1.00 0.00 C ATOM 564 CE LYS A 37 6.979 -10.439 -0.781 1.00 0.00 C ATOM 565 NZ LYS A 37 7.643 -9.970 0.470 1.00 0.00 N ATOM 0 H LYS A 37 3.574 -7.229 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 37 3.506 -8.656 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.329 -9.948 -4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.640 -8.240 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.639 -8.525 -1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.724 -10.253 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.258 -9.358 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.882 -8.341 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.066 -10.977 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.632 -11.145 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.368 -10.586 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.675 -10.003 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.349 -8.993 0.674 1.00 0.00 H new ATOM 579 N SER A 38 2.123 -9.828 -2.365 1.00 0.00 N ATOM 580 CA SER A 38 1.224 -10.863 -1.855 1.00 0.00 C ATOM 581 C SER A 38 0.488 -10.383 -0.605 1.00 0.00 C ATOM 582 O SER A 38 0.937 -9.455 0.067 1.00 0.00 O ATOM 583 CB SER A 38 2.007 -12.143 -1.538 1.00 0.00 C ATOM 584 OG SER A 38 2.036 -13.017 -2.655 1.00 0.00 O ATOM 0 H SER A 38 2.329 -9.083 -1.700 1.00 0.00 H new ATOM 0 HA SER A 38 0.487 -11.077 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.026 -11.887 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.551 -12.650 -0.688 1.00 0.00 H new ATOM 0 HG SER A 38 2.145 -12.494 -3.477 1.00 0.00 H new ATOM 590 N VAL A 39 -0.637 -11.028 -0.295 1.00 0.00 N ATOM 591 CA VAL A 39 -1.426 -10.670 0.881 1.00 0.00 C ATOM 592 C VAL A 39 -1.504 -11.841 1.858 1.00 0.00 C ATOM 593 O VAL A 39 -1.949 -12.933 1.501 1.00 0.00 O ATOM 594 CB VAL A 39 -2.857 -10.227 0.507 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.565 -9.634 1.718 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.832 -9.226 -0.640 1.00 0.00 C ATOM 0 H VAL A 39 -1.021 -11.799 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.918 -9.829 1.354 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.411 -11.106 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.572 -9.327 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.621 -10.382 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.009 -8.768 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.851 -8.929 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.259 -8.347 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.367 -9.684 -1.513 1.00 0.00 H new ATOM 606 N VAL A 40 -1.065 -11.601 3.091 1.00 0.00 N ATOM 607 CA VAL A 40 -1.076 -12.627 4.129 1.00 0.00 C ATOM 608 C VAL A 40 -2.479 -12.827 4.700 1.00 0.00 C ATOM 609 O VAL A 40 -3.169 -11.860 5.029 1.00 0.00 O ATOM 610 CB VAL A 40 -0.113 -12.269 5.283 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.014 -13.427 6.261 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.254 -11.868 4.741 1.00 0.00 C ATOM 0 H VAL A 40 -0.696 -10.700 3.396 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.745 -13.552 3.658 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.530 -11.417 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.697 -13.151 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.965 -13.658 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.401 -14.303 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.916 -11.620 5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.678 -12.697 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.147 -11.000 4.090 1.00 0.00 H new ATOM 622 N LYS A 41 -2.889 -14.088 4.826 1.00 0.00 N ATOM 623 CA LYS A 41 -4.205 -14.420 5.369 1.00 0.00 C ATOM 624 C LYS A 41 -4.259 -14.135 6.868 1.00 0.00 C ATOM 625 O LYS A 41 -3.231 -14.146 7.549 1.00 0.00 O ATOM 626 CB LYS A 41 -4.530 -15.896 5.118 1.00 0.00 C ATOM 627 CG LYS A 41 -5.318 -16.146 3.840 1.00 0.00 C ATOM 628 CD LYS A 41 -4.399 -16.298 2.636 1.00 0.00 C ATOM 629 CE LYS A 41 -3.999 -17.751 2.414 1.00 0.00 C ATOM 630 NZ LYS A 41 -3.110 -18.260 3.498 1.00 0.00 N ATOM 0 H LYS A 41 -2.328 -14.897 4.559 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.944 -13.798 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.599 -16.461 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.098 -16.282 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.921 -17.047 3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.008 -15.320 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.900 -15.918 1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.505 -15.692 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.895 -18.369 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.490 -17.844 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.660 -19.146 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.376 -17.553 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.673 -18.436 4.355 1.00 0.00 H new ATOM 644 N GLY A 42 -5.464 -13.882 7.376 1.00 0.00 N ATOM 645 CA GLY A 42 -5.630 -13.601 8.794 1.00 0.00 C ATOM 646 C GLY A 42 -5.694 -12.116 9.108 1.00 0.00 C ATOM 647 O GLY A 42 -6.215 -11.727 10.156 1.00 0.00 O ATOM 0 H GLY A 42 -6.327 -13.867 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.543 -14.080 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.802 -14.047 9.345 1.00 0.00 H new ATOM 651 N GLY A 43 -5.169 -11.283 8.206 1.00 0.00 N ATOM 652 CA GLY A 43 -5.190 -9.847 8.421 1.00 0.00 C ATOM 653 C GLY A 43 -6.589 -9.258 8.301 1.00 0.00 C ATOM 654 O GLY A 43 -7.582 -9.983 8.352 1.00 0.00 O ATOM 0 H GLY A 43 -4.731 -11.579 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.790 -9.625 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.533 -9.365 7.697 1.00 0.00 H new ATOM 658 N ALA A 44 -6.669 -7.938 8.148 1.00 0.00 N ATOM 659 CA ALA A 44 -7.958 -7.254 8.028 1.00 0.00 C ATOM 660 C ALA A 44 -8.341 -7.007 6.569 1.00 0.00 C ATOM 661 O ALA A 44 -9.522 -7.045 6.218 1.00 0.00 O ATOM 662 CB ALA A 44 -7.930 -5.937 8.792 1.00 0.00 C ATOM 0 H ALA A 44 -5.859 -7.320 8.104 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.715 -7.907 8.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.895 -5.439 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.727 -6.132 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.148 -5.296 8.384 1.00 0.00 H new ATOM 668 N ALA A 45 -7.344 -6.748 5.723 1.00 0.00 N ATOM 669 CA ALA A 45 -7.590 -6.490 4.306 1.00 0.00 C ATOM 670 C ALA A 45 -7.944 -7.770 3.555 1.00 0.00 C ATOM 671 O ALA A 45 -8.904 -7.798 2.781 1.00 0.00 O ATOM 672 CB ALA A 45 -6.379 -5.825 3.669 1.00 0.00 C ATOM 0 H ALA A 45 -6.361 -6.712 5.994 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.444 -5.816 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.579 -5.640 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.177 -4.879 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.512 -6.479 3.765 1.00 0.00 H new ATOM 678 N ASP A 46 -7.162 -8.826 3.780 1.00 0.00 N ATOM 679 CA ASP A 46 -7.393 -10.108 3.114 1.00 0.00 C ATOM 680 C ASP A 46 -8.780 -10.662 3.435 1.00 0.00 C ATOM 681 O ASP A 46 -9.436 -11.242 2.569 1.00 0.00 O ATOM 682 CB ASP A 46 -6.317 -11.125 3.511 1.00 0.00 C ATOM 683 CG ASP A 46 -5.916 -12.037 2.363 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.982 -11.599 1.193 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.532 -13.192 2.633 1.00 0.00 O ATOM 0 H ASP A 46 -6.365 -8.819 4.417 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.337 -9.934 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.436 -10.593 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.684 -11.731 4.339 1.00 0.00 H new ATOM 690 N VAL A 47 -9.223 -10.479 4.679 1.00 0.00 N ATOM 691 CA VAL A 47 -10.536 -10.960 5.101 1.00 0.00 C ATOM 692 C VAL A 47 -11.656 -10.094 4.522 1.00 0.00 C ATOM 693 O VAL A 47 -12.743 -10.593 4.229 1.00 0.00 O ATOM 694 CB VAL A 47 -10.661 -10.992 6.639 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.997 -11.593 7.059 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.506 -11.769 7.252 1.00 0.00 C ATOM 0 H VAL A 47 -8.693 -10.003 5.409 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.636 -11.976 4.719 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.619 -9.967 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.064 -11.606 8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.810 -10.992 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.073 -12.612 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.611 -11.781 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.515 -12.792 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.563 -11.292 6.984 1.00 0.00 H new ATOM 706 N ASP A 48 -11.385 -8.797 4.357 1.00 0.00 N ATOM 707 CA ASP A 48 -12.374 -7.872 3.807 1.00 0.00 C ATOM 708 C ASP A 48 -12.642 -8.167 2.331 1.00 0.00 C ATOM 709 O ASP A 48 -13.790 -8.137 1.883 1.00 0.00 O ATOM 710 CB ASP A 48 -11.900 -6.425 3.973 1.00 0.00 C ATOM 711 CG ASP A 48 -13.033 -5.476 4.316 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.719 -5.711 5.334 1.00 0.00 O ATOM 713 OD2 ASP A 48 -13.231 -4.495 3.570 1.00 0.00 O ATOM 0 H ASP A 48 -10.492 -8.366 4.596 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.304 -8.008 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.145 -6.382 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.421 -6.095 3.051 1.00 0.00 H new ATOM 718 N GLY A 49 -11.576 -8.453 1.581 1.00 0.00 N ATOM 719 CA GLY A 49 -11.715 -8.752 0.166 1.00 0.00 C ATOM 720 C GLY A 49 -11.990 -7.516 -0.672 1.00 0.00 C ATOM 721 O GLY A 49 -12.918 -7.505 -1.482 1.00 0.00 O ATOM 0 H GLY A 49 -10.618 -8.482 1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.804 -9.232 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.526 -9.467 0.028 1.00 0.00 H new ATOM 725 N ARG A 50 -11.182 -6.472 -0.481 1.00 0.00 N ATOM 726 CA ARG A 50 -11.347 -5.226 -1.231 1.00 0.00 C ATOM 727 C ARG A 50 -10.268 -5.076 -2.307 1.00 0.00 C ATOM 728 O ARG A 50 -10.534 -4.559 -3.394 1.00 0.00 O ATOM 729 CB ARG A 50 -11.312 -4.021 -0.286 1.00 0.00 C ATOM 730 CG ARG A 50 -12.574 -3.860 0.549 1.00 0.00 C ATOM 731 CD ARG A 50 -13.520 -2.833 -0.058 1.00 0.00 C ATOM 732 NE ARG A 50 -14.439 -2.274 0.935 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.500 -1.519 0.633 1.00 0.00 C ATOM 734 NH1 ARG A 50 -15.788 -1.231 -0.634 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.278 -1.052 1.603 1.00 0.00 N ATOM 0 H ARG A 50 -10.409 -6.464 0.185 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.318 -5.265 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.456 -4.119 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.157 -3.115 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.082 -4.821 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.305 -3.555 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.939 -2.027 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.093 -3.298 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.258 -2.473 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.197 -1.587 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.600 -0.654 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.065 -1.270 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.088 -0.476 1.374 1.00 0.00 H new ATOM 749 N LEU A 51 -9.049 -5.529 -1.999 1.00 0.00 N ATOM 750 CA LEU A 51 -7.937 -5.440 -2.943 1.00 0.00 C ATOM 751 C LEU A 51 -7.310 -6.814 -3.194 1.00 0.00 C ATOM 752 O LEU A 51 -7.669 -7.799 -2.546 1.00 0.00 O ATOM 753 CB LEU A 51 -6.873 -4.468 -2.421 1.00 0.00 C ATOM 754 CG LEU A 51 -6.240 -4.856 -1.082 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.729 -4.967 -1.214 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.614 -3.847 -0.006 1.00 0.00 C ATOM 0 H LEU A 51 -8.810 -5.959 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.331 -5.067 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.083 -4.383 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.324 -3.481 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.627 -5.832 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.299 -5.244 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.483 -5.729 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.320 -4.008 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.156 -4.137 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.256 -2.858 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.698 -3.822 0.108 1.00 0.00 H new ATOM 768 N ALA A 52 -6.369 -6.865 -4.141 1.00 0.00 N ATOM 769 CA ALA A 52 -5.682 -8.107 -4.486 1.00 0.00 C ATOM 770 C ALA A 52 -4.199 -7.860 -4.759 1.00 0.00 C ATOM 771 O ALA A 52 -3.776 -6.718 -4.939 1.00 0.00 O ATOM 772 CB ALA A 52 -6.341 -8.756 -5.697 1.00 0.00 C ATOM 0 H ALA A 52 -6.067 -6.055 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.760 -8.784 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.819 -9.681 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.384 -8.978 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.292 -8.075 -6.546 1.00 0.00 H new ATOM 778 N ALA A 53 -3.416 -8.940 -4.792 1.00 0.00 N ATOM 779 CA ALA A 53 -1.977 -8.847 -5.044 1.00 0.00 C ATOM 780 C ALA A 53 -1.684 -8.155 -6.375 1.00 0.00 C ATOM 781 O ALA A 53 -2.226 -8.536 -7.415 1.00 0.00 O ATOM 782 CB ALA A 53 -1.347 -10.233 -5.025 1.00 0.00 C ATOM 0 H ALA A 53 -3.755 -9.891 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.540 -8.243 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.277 -10.149 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.508 -10.693 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.804 -10.851 -5.798 1.00 0.00 H new ATOM 788 N GLY A 54 -0.819 -7.142 -6.333 1.00 0.00 N ATOM 789 CA GLY A 54 -0.457 -6.412 -7.538 1.00 0.00 C ATOM 790 C GLY A 54 -1.110 -5.044 -7.622 1.00 0.00 C ATOM 791 O GLY A 54 -1.517 -4.612 -8.702 1.00 0.00 O ATOM 0 H GLY A 54 -0.361 -6.813 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.626 -6.294 -7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.742 -6.999 -8.411 1.00 0.00 H new ATOM 795 N ASP A 55 -1.204 -4.359 -6.483 1.00 0.00 N ATOM 796 CA ASP A 55 -1.808 -3.031 -6.433 1.00 0.00 C ATOM 797 C ASP A 55 -0.779 -1.983 -6.008 1.00 0.00 C ATOM 798 O ASP A 55 0.063 -2.242 -5.145 1.00 0.00 O ATOM 799 CB ASP A 55 -3.007 -3.022 -5.477 1.00 0.00 C ATOM 800 CG ASP A 55 -2.621 -3.332 -4.043 1.00 0.00 C ATOM 801 OD1 ASP A 55 -2.234 -2.393 -3.315 1.00 0.00 O ATOM 802 OD2 ASP A 55 -2.707 -4.511 -3.648 1.00 0.00 O ATOM 0 H ASP A 55 -0.869 -4.703 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.160 -2.779 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.488 -2.045 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.741 -3.753 -5.816 1.00 0.00 H new ATOM 807 N GLN A 56 -0.852 -0.800 -6.621 1.00 0.00 N ATOM 808 CA GLN A 56 0.073 0.289 -6.310 1.00 0.00 C ATOM 809 C GLN A 56 -0.423 1.108 -5.117 1.00 0.00 C ATOM 810 O GLN A 56 -1.626 1.324 -4.958 1.00 0.00 O ATOM 811 CB GLN A 56 0.253 1.198 -7.530 1.00 0.00 C ATOM 812 CG GLN A 56 1.365 2.227 -7.372 1.00 0.00 C ATOM 813 CD GLN A 56 0.853 3.657 -7.376 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.277 3.928 -7.786 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.685 4.585 -6.916 1.00 0.00 N ATOM 0 H GLN A 56 -1.543 -0.573 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 56 1.035 -0.151 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.464 0.581 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.685 1.718 -7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.897 2.040 -6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.086 2.102 -8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.613 4.320 -6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.396 5.563 -6.893 1.00 0.00 H new ATOM 824 N LEU A 57 0.516 1.563 -4.286 1.00 0.00 N ATOM 825 CA LEU A 57 0.181 2.362 -3.107 1.00 0.00 C ATOM 826 C LEU A 57 0.397 3.852 -3.366 1.00 0.00 C ATOM 827 O LEU A 57 1.339 4.240 -4.061 1.00 0.00 O ATOM 828 CB LEU A 57 1.019 1.918 -1.903 1.00 0.00 C ATOM 829 CG LEU A 57 0.220 1.539 -0.652 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.557 2.739 -0.129 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.718 0.376 -0.949 1.00 0.00 C ATOM 0 H LEU A 57 1.514 1.392 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.875 2.201 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.626 1.062 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.707 2.722 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 57 0.920 1.224 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.118 2.450 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.138 3.540 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.248 3.088 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.277 0.121 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.413 0.661 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.136 -0.487 -1.272 1.00 0.00 H new ATOM 843 N LEU A 58 -0.479 4.679 -2.795 1.00 0.00 N ATOM 844 CA LEU A 58 -0.392 6.129 -2.955 1.00 0.00 C ATOM 845 C LEU A 58 -0.280 6.827 -1.598 1.00 0.00 C ATOM 846 O LEU A 58 0.687 7.551 -1.343 1.00 0.00 O ATOM 847 CB LEU A 58 -1.617 6.654 -3.711 1.00 0.00 C ATOM 848 CG LEU A 58 -1.363 7.875 -4.602 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.362 7.916 -5.749 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.438 9.158 -3.786 1.00 0.00 C ATOM 0 H LEU A 58 -1.259 4.367 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 58 0.507 6.350 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.014 5.849 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.390 6.909 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.360 7.791 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.166 8.790 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.262 7.013 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.374 7.975 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.255 10.014 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.428 9.247 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.685 9.133 -2.998 1.00 0.00 H new ATOM 862 N SER A 59 -1.278 6.616 -0.736 1.00 0.00 N ATOM 863 CA SER A 59 -1.294 7.236 0.587 1.00 0.00 C ATOM 864 C SER A 59 -1.816 6.276 1.658 1.00 0.00 C ATOM 865 O SER A 59 -2.586 5.356 1.366 1.00 0.00 O ATOM 866 CB SER A 59 -2.151 8.506 0.565 1.00 0.00 C ATOM 867 OG SER A 59 -3.403 8.272 -0.058 1.00 0.00 O ATOM 0 H SER A 59 -2.083 6.021 -0.932 1.00 0.00 H new ATOM 0 HA SER A 59 -0.266 7.494 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.310 8.858 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.620 9.296 0.034 1.00 0.00 H new ATOM 0 HG SER A 59 -3.929 9.099 -0.056 1.00 0.00 H new ATOM 873 N VAL A 60 -1.392 6.509 2.903 1.00 0.00 N ATOM 874 CA VAL A 60 -1.810 5.685 4.034 1.00 0.00 C ATOM 875 C VAL A 60 -2.190 6.564 5.222 1.00 0.00 C ATOM 876 O VAL A 60 -1.337 7.237 5.805 1.00 0.00 O ATOM 877 CB VAL A 60 -0.705 4.698 4.468 1.00 0.00 C ATOM 878 CG1 VAL A 60 -1.230 3.732 5.523 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.160 3.939 3.267 1.00 0.00 C ATOM 0 H VAL A 60 -0.756 7.267 3.151 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.675 5.109 3.706 1.00 0.00 H new ATOM 0 HB VAL A 60 0.111 5.272 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.436 3.045 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.564 4.293 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.067 3.166 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.617 3.249 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.967 3.379 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.260 4.645 2.551 1.00 0.00 H new ATOM 889 N ASP A 61 -3.479 6.558 5.569 1.00 0.00 N ATOM 890 CA ASP A 61 -3.991 7.360 6.682 1.00 0.00 C ATOM 891 C ASP A 61 -3.671 8.848 6.488 1.00 0.00 C ATOM 892 O ASP A 61 -3.417 9.570 7.455 1.00 0.00 O ATOM 893 CB ASP A 61 -3.415 6.863 8.017 1.00 0.00 C ATOM 894 CG ASP A 61 -4.212 5.714 8.609 1.00 0.00 C ATOM 895 OD1 ASP A 61 -5.460 5.790 8.612 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.587 4.736 9.069 1.00 0.00 O ATOM 0 H ASP A 61 -4.190 6.004 5.092 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.075 7.245 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.384 6.544 7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.393 7.689 8.728 1.00 0.00 H new ATOM 901 N GLY A 62 -3.684 9.298 5.230 1.00 0.00 N ATOM 902 CA GLY A 62 -3.393 10.692 4.929 1.00 0.00 C ATOM 903 C GLY A 62 -1.938 10.938 4.552 1.00 0.00 C ATOM 904 O GLY A 62 -1.625 11.950 3.925 1.00 0.00 O ATOM 0 H GLY A 62 -3.891 8.720 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.033 11.021 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.645 11.303 5.796 1.00 0.00 H new ATOM 908 N ARG A 63 -1.044 10.019 4.929 1.00 0.00 N ATOM 909 CA ARG A 63 0.375 10.167 4.615 1.00 0.00 C ATOM 910 C ARG A 63 0.631 9.966 3.122 1.00 0.00 C ATOM 911 O ARG A 63 -0.100 9.239 2.450 1.00 0.00 O ATOM 912 CB ARG A 63 1.217 9.182 5.431 1.00 0.00 C ATOM 913 CG ARG A 63 1.506 9.657 6.847 1.00 0.00 C ATOM 914 CD ARG A 63 0.586 8.994 7.862 1.00 0.00 C ATOM 915 NE ARG A 63 0.698 9.602 9.189 1.00 0.00 N ATOM 916 CZ ARG A 63 -0.060 9.263 10.236 1.00 0.00 C ATOM 917 NH1 ARG A 63 -0.985 8.314 10.121 1.00 0.00 N ATOM 918 NH2 ARG A 63 0.109 9.873 11.404 1.00 0.00 N ATOM 0 H ARG A 63 -1.278 9.172 5.448 1.00 0.00 H new ATOM 0 HA ARG A 63 0.669 11.182 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.699 8.224 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.161 9.009 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.544 9.439 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.386 10.739 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.445 9.066 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.826 7.933 7.929 1.00 0.00 H new ATOM 0 HE ARG A 63 1.399 10.331 9.323 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.120 7.839 9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.559 8.061 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.817 10.600 11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.470 9.614 12.203 1.00 0.00 H new ATOM 932 N SER A 64 1.674 10.617 2.613 1.00 0.00 N ATOM 933 CA SER A 64 2.031 10.519 1.200 1.00 0.00 C ATOM 934 C SER A 64 3.288 9.676 1.012 1.00 0.00 C ATOM 935 O SER A 64 4.355 10.015 1.527 1.00 0.00 O ATOM 936 CB SER A 64 2.246 11.916 0.604 1.00 0.00 C ATOM 937 OG SER A 64 3.012 12.735 1.473 1.00 0.00 O ATOM 0 H SER A 64 2.289 11.220 3.160 1.00 0.00 H new ATOM 0 HA SER A 64 1.207 10.032 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.752 11.830 -0.358 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.281 12.386 0.415 1.00 0.00 H new ATOM 0 HG SER A 64 3.741 12.208 1.861 1.00 0.00 H new ATOM 943 N LEU A 65 3.156 8.579 0.270 1.00 0.00 N ATOM 944 CA LEU A 65 4.287 7.688 0.011 1.00 0.00 C ATOM 945 C LEU A 65 4.738 7.754 -1.452 1.00 0.00 C ATOM 946 O LEU A 65 5.782 7.200 -1.805 1.00 0.00 O ATOM 947 CB LEU A 65 3.928 6.247 0.376 1.00 0.00 C ATOM 948 CG LEU A 65 3.277 6.066 1.747 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.542 4.737 1.808 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.322 6.158 2.851 1.00 0.00 C ATOM 0 H LEU A 65 2.280 8.285 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 65 5.114 8.024 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.253 5.854 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.835 5.643 0.339 1.00 0.00 H new ATOM 0 HG LEU A 65 2.553 6.867 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.083 4.620 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.769 4.713 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.247 3.923 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.840 6.027 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.070 5.378 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.804 7.135 2.815 1.00 0.00 H new ATOM 962 N VAL A 66 3.954 8.432 -2.300 1.00 0.00 N ATOM 963 CA VAL A 66 4.286 8.562 -3.714 1.00 0.00 C ATOM 964 C VAL A 66 5.520 9.450 -3.902 1.00 0.00 C ATOM 965 O VAL A 66 5.420 10.656 -4.149 1.00 0.00 O ATOM 966 CB VAL A 66 3.094 9.124 -4.520 1.00 0.00 C ATOM 967 CG1 VAL A 66 2.698 10.496 -4.001 1.00 0.00 C ATOM 968 CG2 VAL A 66 3.424 9.173 -6.005 1.00 0.00 C ATOM 0 H VAL A 66 3.088 8.896 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 66 4.512 7.565 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 66 2.243 8.456 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.857 10.876 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.410 10.419 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.542 11.179 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.571 9.572 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.290 9.815 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.647 8.167 -6.362 1.00 0.00 H new ATOM 978 N GLY A 67 6.687 8.836 -3.763 1.00 0.00 N ATOM 979 CA GLY A 67 7.942 9.555 -3.899 1.00 0.00 C ATOM 980 C GLY A 67 8.987 9.106 -2.889 1.00 0.00 C ATOM 981 O GLY A 67 10.186 9.270 -3.118 1.00 0.00 O ATOM 0 H GLY A 67 6.789 7.842 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.331 9.411 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.760 10.623 -3.777 1.00 0.00 H new ATOM 985 N LEU A 68 8.531 8.536 -1.770 1.00 0.00 N ATOM 986 CA LEU A 68 9.431 8.062 -0.723 1.00 0.00 C ATOM 987 C LEU A 68 9.976 6.671 -1.049 1.00 0.00 C ATOM 988 O LEU A 68 9.497 6.002 -1.968 1.00 0.00 O ATOM 989 CB LEU A 68 8.704 8.017 0.625 1.00 0.00 C ATOM 990 CG LEU A 68 8.159 9.356 1.128 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.428 9.165 2.450 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.284 10.371 1.279 1.00 0.00 C ATOM 0 H LEU A 68 7.541 8.393 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 68 10.266 8.760 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.875 7.314 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.389 7.620 1.374 1.00 0.00 H new ATOM 0 HG LEU A 68 7.452 9.740 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.046 10.125 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.598 8.473 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.117 8.760 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.876 11.316 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.017 9.998 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.766 10.527 0.314 1.00 0.00 H new ATOM 1004 N SER A 69 10.974 6.238 -0.278 1.00 0.00 N ATOM 1005 CA SER A 69 11.582 4.923 -0.468 1.00 0.00 C ATOM 1006 C SER A 69 10.803 3.852 0.291 1.00 0.00 C ATOM 1007 O SER A 69 9.969 4.165 1.146 1.00 0.00 O ATOM 1008 CB SER A 69 13.040 4.933 0.002 1.00 0.00 C ATOM 1009 OG SER A 69 13.777 5.964 -0.634 1.00 0.00 O ATOM 0 H SER A 69 11.378 6.781 0.485 1.00 0.00 H new ATOM 0 HA SER A 69 11.553 4.690 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.075 5.071 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.500 3.968 -0.212 1.00 0.00 H new ATOM 0 HG SER A 69 14.703 5.949 -0.315 1.00 0.00 H new ATOM 1015 N GLN A 70 11.083 2.586 -0.021 1.00 0.00 N ATOM 1016 CA GLN A 70 10.412 1.462 0.633 1.00 0.00 C ATOM 1017 C GLN A 70 10.610 1.499 2.150 1.00 0.00 C ATOM 1018 O GLN A 70 9.760 1.019 2.898 1.00 0.00 O ATOM 1019 CB GLN A 70 10.929 0.133 0.076 1.00 0.00 C ATOM 1020 CG GLN A 70 10.177 -1.086 0.599 1.00 0.00 C ATOM 1021 CD GLN A 70 11.102 -2.219 1.007 1.00 0.00 C ATOM 1022 OE1 GLN A 70 12.266 -1.998 1.352 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.591 -3.443 0.974 1.00 0.00 N ATOM 0 H GLN A 70 11.771 2.313 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 70 9.346 1.549 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.858 0.153 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.985 0.031 0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.570 -0.793 1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.492 -1.442 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.624 -3.584 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.165 -4.243 1.240 1.00 0.00 H new ATOM 1032 N GLU A 71 11.730 2.070 2.598 1.00 0.00 N ATOM 1033 CA GLU A 71 12.024 2.165 4.025 1.00 0.00 C ATOM 1034 C GLU A 71 11.008 3.059 4.728 1.00 0.00 C ATOM 1035 O GLU A 71 10.467 2.694 5.770 1.00 0.00 O ATOM 1036 CB GLU A 71 13.437 2.711 4.245 1.00 0.00 C ATOM 1037 CG GLU A 71 14.527 1.883 3.581 1.00 0.00 C ATOM 1038 CD GLU A 71 15.778 1.775 4.430 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.760 1.015 5.421 1.00 0.00 O ATOM 1040 OE2 GLU A 71 16.777 2.451 4.105 1.00 0.00 O ATOM 0 H GLU A 71 12.446 2.472 1.993 1.00 0.00 H new ATOM 0 HA GLU A 71 11.961 1.163 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.486 3.731 3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.634 2.762 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.144 0.883 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.782 2.330 2.620 1.00 0.00 H new ATOM 1047 N ARG A 72 10.750 4.228 4.144 1.00 0.00 N ATOM 1048 CA ARG A 72 9.795 5.173 4.713 1.00 0.00 C ATOM 1049 C ARG A 72 8.383 4.597 4.693 1.00 0.00 C ATOM 1050 O ARG A 72 7.717 4.538 5.728 1.00 0.00 O ATOM 1051 CB ARG A 72 9.836 6.499 3.948 1.00 0.00 C ATOM 1052 CG ARG A 72 10.560 7.606 4.695 1.00 0.00 C ATOM 1053 CD ARG A 72 12.005 7.233 4.996 1.00 0.00 C ATOM 1054 NE ARG A 72 12.922 8.341 4.735 1.00 0.00 N ATOM 1055 CZ ARG A 72 13.337 8.695 3.515 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.921 8.027 2.440 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.170 9.719 3.371 1.00 0.00 N ATOM 0 H ARG A 72 11.189 4.542 3.278 1.00 0.00 H new ATOM 0 HA ARG A 72 10.076 5.356 5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.325 6.340 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.816 6.820 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.536 8.520 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.037 7.817 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.091 6.929 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.292 6.374 4.389 1.00 0.00 H new ATOM 0 HE ARG A 72 13.266 8.876 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.281 7.239 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.242 8.303 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.492 10.234 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.488 9.991 2.441 1.00 0.00 H new ATOM 1071 N ALA A 73 7.935 4.163 3.514 1.00 0.00 N ATOM 1072 CA ALA A 73 6.602 3.582 3.371 1.00 0.00 C ATOM 1073 C ALA A 73 6.431 2.385 4.301 1.00 0.00 C ATOM 1074 O ALA A 73 5.459 2.312 5.053 1.00 0.00 O ATOM 1075 CB ALA A 73 6.344 3.178 1.927 1.00 0.00 C ATOM 0 H ALA A 73 8.474 4.203 2.649 1.00 0.00 H new ATOM 0 HA ALA A 73 5.870 4.339 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.346 2.748 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.416 4.056 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.085 2.441 1.618 1.00 0.00 H new ATOM 1081 N ALA A 74 7.388 1.456 4.255 1.00 0.00 N ATOM 1082 CA ALA A 74 7.345 0.271 5.107 1.00 0.00 C ATOM 1083 C ALA A 74 7.256 0.663 6.581 1.00 0.00 C ATOM 1084 O ALA A 74 6.271 0.357 7.244 1.00 0.00 O ATOM 1085 CB ALA A 74 8.569 -0.604 4.872 1.00 0.00 C ATOM 0 H ALA A 74 8.199 1.503 3.638 1.00 0.00 H new ATOM 0 HA ALA A 74 6.452 -0.297 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.518 -1.482 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.595 -0.920 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.471 -0.037 5.102 1.00 0.00 H new ATOM 1091 N GLU A 75 8.295 1.342 7.076 1.00 0.00 N ATOM 1092 CA GLU A 75 8.356 1.785 8.473 1.00 0.00 C ATOM 1093 C GLU A 75 7.050 2.441 8.927 1.00 0.00 C ATOM 1094 O GLU A 75 6.527 2.118 9.995 1.00 0.00 O ATOM 1095 CB GLU A 75 9.515 2.761 8.673 1.00 0.00 C ATOM 1096 CG GLU A 75 10.856 2.077 8.870 1.00 0.00 C ATOM 1097 CD GLU A 75 10.962 1.383 10.214 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.479 0.236 10.329 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.522 1.987 11.152 1.00 0.00 O ATOM 0 H GLU A 75 9.113 1.599 6.524 1.00 0.00 H new ATOM 0 HA GLU A 75 8.515 0.896 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.577 3.422 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.306 3.389 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.008 1.347 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.653 2.815 8.782 1.00 0.00 H new ATOM 1106 N LEU A 76 6.533 3.364 8.120 1.00 0.00 N ATOM 1107 CA LEU A 76 5.291 4.061 8.449 1.00 0.00 C ATOM 1108 C LEU A 76 4.085 3.117 8.399 1.00 0.00 C ATOM 1109 O LEU A 76 3.093 3.334 9.096 1.00 0.00 O ATOM 1110 CB LEU A 76 5.083 5.238 7.491 1.00 0.00 C ATOM 1111 CG LEU A 76 6.009 6.437 7.720 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.642 7.578 6.783 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.946 6.894 9.171 1.00 0.00 C ATOM 0 H LEU A 76 6.953 3.647 7.235 1.00 0.00 H new ATOM 0 HA LEU A 76 5.375 4.436 9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.220 4.883 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.050 5.576 7.575 1.00 0.00 H new ATOM 0 HG LEU A 76 7.032 6.128 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.309 8.422 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.741 7.246 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.613 7.885 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.610 7.746 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.925 7.185 9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.258 6.078 9.823 1.00 0.00 H new ATOM 1125 N MET A 77 4.175 2.073 7.573 1.00 0.00 N ATOM 1126 CA MET A 77 3.092 1.101 7.435 1.00 0.00 C ATOM 1127 C MET A 77 3.179 -0.010 8.486 1.00 0.00 C ATOM 1128 O MET A 77 2.186 -0.688 8.754 1.00 0.00 O ATOM 1129 CB MET A 77 3.110 0.490 6.034 1.00 0.00 C ATOM 1130 CG MET A 77 2.452 1.366 4.980 1.00 0.00 C ATOM 1131 SD MET A 77 2.402 0.581 3.357 1.00 0.00 S ATOM 1132 CE MET A 77 1.234 -0.745 3.653 1.00 0.00 C ATOM 0 H MET A 77 4.989 1.880 6.989 1.00 0.00 H new ATOM 0 HA MET A 77 2.154 1.634 7.593 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.143 0.299 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.603 -0.475 6.061 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.436 1.606 5.295 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.994 2.309 4.907 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.771 -1.689 3.745 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.686 -0.548 4.574 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.533 -0.805 2.820 1.00 0.00 H new ATOM 1142 N THR A 78 4.360 -0.200 9.076 1.00 0.00 N ATOM 1143 CA THR A 78 4.557 -1.223 10.084 1.00 0.00 C ATOM 1144 C THR A 78 3.880 -0.825 11.393 1.00 0.00 C ATOM 1145 O THR A 78 3.233 -1.646 12.043 1.00 0.00 O ATOM 1146 CB THR A 78 6.053 -1.438 10.318 1.00 0.00 C ATOM 1147 OG1 THR A 78 6.828 -0.525 9.568 1.00 0.00 O ATOM 1148 CG2 THR A 78 6.532 -2.823 9.961 1.00 0.00 C ATOM 0 H THR A 78 5.194 0.348 8.866 1.00 0.00 H new ATOM 0 HA THR A 78 4.109 -2.151 9.730 1.00 0.00 H new ATOM 0 HB THR A 78 6.184 -1.285 11.389 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.632 -0.636 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.602 -2.899 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.001 -3.559 10.565 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.339 -3.014 8.905 1.00 0.00 H new ATOM 1156 N ARG A 79 4.041 0.443 11.773 1.00 0.00 N ATOM 1157 CA ARG A 79 3.455 0.959 13.005 1.00 0.00 C ATOM 1158 C ARG A 79 2.113 1.640 12.729 1.00 0.00 C ATOM 1159 O ARG A 79 1.971 2.852 12.907 1.00 0.00 O ATOM 1160 CB ARG A 79 4.421 1.946 13.670 1.00 0.00 C ATOM 1161 CG ARG A 79 5.828 1.397 13.851 1.00 0.00 C ATOM 1162 CD ARG A 79 6.856 2.515 13.940 1.00 0.00 C ATOM 1163 NE ARG A 79 7.092 3.155 12.645 1.00 0.00 N ATOM 1164 CZ ARG A 79 7.651 4.360 12.500 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.038 5.056 13.565 1.00 0.00 N ATOM 1166 NH2 ARG A 79 7.826 4.870 11.287 1.00 0.00 N ATOM 0 H ARG A 79 4.574 1.131 11.242 1.00 0.00 H new ATOM 0 HA ARG A 79 3.278 0.121 13.679 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.469 2.854 13.069 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.023 2.230 14.644 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.869 0.791 14.756 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.074 0.741 13.016 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.515 3.263 14.656 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.795 2.113 14.321 1.00 0.00 H new ATOM 0 HE ARG A 79 6.813 2.651 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.909 4.671 14.501 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.464 5.975 13.446 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.534 4.342 10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.253 5.790 11.177 1.00 0.00 H new ATOM 1180 N THR A 80 1.127 0.855 12.293 1.00 0.00 N ATOM 1181 CA THR A 80 -0.201 1.390 11.994 1.00 0.00 C ATOM 1182 C THR A 80 -1.050 1.490 13.259 1.00 0.00 C ATOM 1183 O THR A 80 -0.921 0.672 14.172 1.00 0.00 O ATOM 1184 CB THR A 80 -0.917 0.517 10.958 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.631 -0.856 11.168 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.541 0.852 9.530 1.00 0.00 C ATOM 0 H THR A 80 1.222 -0.149 12.140 1.00 0.00 H new ATOM 0 HA THR A 80 -0.068 2.391 11.583 1.00 0.00 H new ATOM 0 HB THR A 80 -1.979 0.722 11.096 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.830 -1.360 10.351 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.083 0.197 8.848 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.800 1.890 9.320 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.531 0.711 9.393 1.00 0.00 H new ATOM 1194 N SER A 81 -1.923 2.495 13.303 1.00 0.00 N ATOM 1195 CA SER A 81 -2.799 2.701 14.452 1.00 0.00 C ATOM 1196 C SER A 81 -4.057 1.837 14.337 1.00 0.00 C ATOM 1197 O SER A 81 -4.127 0.935 13.498 1.00 0.00 O ATOM 1198 CB SER A 81 -3.175 4.184 14.570 1.00 0.00 C ATOM 1199 OG SER A 81 -2.894 4.681 15.868 1.00 0.00 O ATOM 0 H SER A 81 -2.042 3.179 12.555 1.00 0.00 H new ATOM 0 HA SER A 81 -2.264 2.402 15.353 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.623 4.762 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.235 4.312 14.350 1.00 0.00 H new ATOM 0 HG SER A 81 -3.141 5.628 15.916 1.00 0.00 H new ATOM 1205 N SER A 82 -5.050 2.119 15.183 1.00 0.00 N ATOM 1206 CA SER A 82 -6.307 1.373 15.174 1.00 0.00 C ATOM 1207 C SER A 82 -6.960 1.420 13.792 1.00 0.00 C ATOM 1208 O SER A 82 -7.437 0.403 13.289 1.00 0.00 O ATOM 1209 CB SER A 82 -7.267 1.932 16.228 1.00 0.00 C ATOM 1210 OG SER A 82 -7.142 1.232 17.453 1.00 0.00 O ATOM 0 H SER A 82 -5.006 2.860 15.883 1.00 0.00 H new ATOM 0 HA SER A 82 -6.084 0.333 15.414 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.061 2.990 16.388 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.293 1.858 15.866 1.00 0.00 H new ATOM 0 HG SER A 82 -7.764 1.609 18.110 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.969 2.607 13.181 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.553 2.780 11.855 1.00 0.00 C ATOM 1218 C VAL A 83 -6.469 2.795 10.780 1.00 0.00 C ATOM 1219 O VAL A 83 -5.370 3.307 11.003 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.377 4.084 11.753 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.136 4.136 10.434 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.336 4.210 12.929 1.00 0.00 C ATOM 0 H VAL A 83 -6.579 3.459 13.585 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.219 1.932 11.695 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.687 4.927 11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.710 5.061 10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.429 4.100 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.813 3.284 10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.905 5.135 12.837 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.020 3.361 12.933 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.770 4.224 13.860 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.788 2.232 9.617 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.847 2.181 8.503 1.00 0.00 C ATOM 1234 C VAL A 84 -6.547 2.503 7.188 1.00 0.00 C ATOM 1235 O VAL A 84 -7.404 1.746 6.732 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.167 0.800 8.386 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.033 0.850 7.371 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.655 0.335 9.743 1.00 0.00 C ATOM 0 H VAL A 84 -7.693 1.804 9.422 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.081 2.929 8.705 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.908 0.080 8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.564 -0.132 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.430 1.134 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.292 1.584 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.179 -0.640 9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.929 1.054 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.490 0.258 10.440 1.00 0.00 H new ATOM 1248 N THR A 85 -6.178 3.633 6.586 1.00 0.00 N ATOM 1249 CA THR A 85 -6.771 4.062 5.323 1.00 0.00 C ATOM 1250 C THR A 85 -5.748 3.979 4.192 1.00 0.00 C ATOM 1251 O THR A 85 -5.060 4.957 3.887 1.00 0.00 O ATOM 1252 CB THR A 85 -7.320 5.489 5.442 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.604 5.817 6.793 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.590 5.704 4.646 1.00 0.00 C ATOM 0 H THR A 85 -5.470 4.268 6.955 1.00 0.00 H new ATOM 0 HA THR A 85 -7.598 3.391 5.090 1.00 0.00 H new ATOM 0 HB THR A 85 -6.536 6.131 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.765 5.895 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.928 6.733 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.395 5.512 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.362 5.022 5.002 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.648 2.800 3.579 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.705 2.575 2.485 1.00 0.00 C ATOM 1264 C LEU A 86 -5.369 2.792 1.127 1.00 0.00 C ATOM 1265 O LEU A 86 -6.381 2.161 0.813 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.140 1.154 2.558 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.065 0.935 3.626 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.345 -0.337 4.414 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -1.685 0.879 2.987 1.00 0.00 C ATOM 0 H LEU A 86 -6.210 1.984 3.822 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.894 3.296 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.962 0.462 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.721 0.896 1.585 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.089 1.777 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.570 -0.476 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.316 -0.256 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.349 -1.191 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.932 0.723 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.648 0.056 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.485 1.818 2.470 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.784 3.679 0.322 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.306 3.973 -1.010 1.00 0.00 C ATOM 1283 C GLU A 87 -4.524 3.200 -2.067 1.00 0.00 C ATOM 1284 O GLU A 87 -3.304 3.345 -2.179 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.236 5.476 -1.294 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.806 5.880 -2.645 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.695 7.372 -2.896 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -4.629 7.816 -3.369 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -6.673 8.097 -2.618 1.00 0.00 O ATOM 0 H GLU A 87 -3.947 4.206 0.571 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.350 3.661 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.775 6.008 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.196 5.797 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.281 5.341 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.853 5.582 -2.698 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.233 2.376 -2.834 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.603 1.572 -3.876 1.00 0.00 C ATOM 1298 C VAL A 88 -5.130 1.932 -5.265 1.00 0.00 C ATOM 1299 O VAL A 88 -6.125 2.649 -5.401 1.00 0.00 O ATOM 1300 CB VAL A 88 -4.819 0.064 -3.633 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.199 -0.360 -2.310 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.299 -0.283 -3.672 1.00 0.00 C ATOM 0 H VAL A 88 -6.242 2.248 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.537 1.794 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.323 -0.485 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.362 -1.427 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.129 -0.155 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.662 0.198 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.427 -1.351 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.824 0.276 -2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.708 -0.023 -4.648 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.452 1.420 -6.292 1.00 0.00 N ATOM 1313 CA ALA A 89 -4.837 1.672 -7.677 1.00 0.00 C ATOM 1314 C ALA A 89 -4.965 0.364 -8.456 1.00 0.00 C ATOM 1315 O ALA A 89 -3.966 -0.312 -8.713 1.00 0.00 O ATOM 1316 CB ALA A 89 -3.823 2.588 -8.351 1.00 0.00 C ATOM 0 H ALA A 89 -3.630 0.826 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.810 2.164 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.124 2.767 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.778 3.537 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.840 2.117 -8.336 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.197 0.014 -8.831 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.450 -1.215 -9.586 1.00 0.00 C ATOM 1324 C LYS A 90 -5.802 -1.138 -10.967 1.00 0.00 C ATOM 1325 O LYS A 90 -6.237 -0.365 -11.823 1.00 0.00 O ATOM 1326 CB LYS A 90 -7.956 -1.465 -9.727 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.671 -1.664 -8.399 1.00 0.00 C ATOM 1328 CD LYS A 90 -8.273 -2.975 -7.737 1.00 0.00 C ATOM 1329 CE LYS A 90 -9.392 -3.520 -6.862 1.00 0.00 C ATOM 1330 NZ LYS A 90 -9.622 -4.973 -7.093 1.00 0.00 N ATOM 0 H LYS A 90 -7.032 0.562 -8.625 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.009 -2.046 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.408 -0.622 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.112 -2.346 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.438 -0.834 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.749 -1.650 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.019 -3.708 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.379 -2.822 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.146 -3.354 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.311 -2.970 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.392 -5.305 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.882 -5.129 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.753 -5.501 -6.875 1.00 0.00 H new ATOM 1344 N GLN A 91 -4.751 -1.935 -11.171 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.028 -1.950 -12.444 1.00 0.00 C ATOM 1346 C GLN A 91 -3.211 -3.236 -12.601 1.00 0.00 C ATOM 1347 O GLN A 91 -3.247 -4.115 -11.737 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.104 -0.729 -12.537 1.00 0.00 C ATOM 1349 CG GLN A 91 -2.215 -0.539 -11.312 1.00 0.00 C ATOM 1350 CD GLN A 91 -0.736 -0.474 -11.653 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -0.356 -0.194 -12.790 1.00 0.00 O ATOM 1352 NE2 GLN A 91 0.112 -0.732 -10.662 1.00 0.00 N ATOM 0 H GLN A 91 -4.382 -2.578 -10.471 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.761 -1.912 -13.250 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.474 -0.828 -13.421 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.711 0.165 -12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.504 0.378 -10.799 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.385 -1.360 -10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.243 -0.960 -9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.118 -0.702 -10.830 1.00 0.00 H new ATOM 1361 N GLY A 92 -2.471 -3.332 -13.709 1.00 0.00 N ATOM 1362 CA GLY A 92 -1.650 -4.501 -13.962 1.00 0.00 C ATOM 1363 C GLY A 92 -1.151 -4.560 -15.391 1.00 0.00 C ATOM 1364 O GLY A 92 -1.899 -4.288 -16.332 1.00 0.00 O ATOM 0 H GLY A 92 -2.429 -2.617 -14.435 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.798 -4.497 -13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.226 -5.400 -13.744 1.00 0.00 H new ATOM 1368 N ALA A 93 0.120 -4.916 -15.546 1.00 0.00 N ATOM 1369 CA ALA A 93 0.743 -5.017 -16.863 1.00 0.00 C ATOM 1370 C ALA A 93 1.458 -6.356 -17.032 1.00 0.00 C ATOM 1371 O ALA A 93 1.183 -7.048 -18.034 1.00 0.00 O ATOM 1372 CB ALA A 93 1.715 -3.864 -17.081 1.00 0.00 C ATOM 1373 OXT ALA A 93 2.288 -6.701 -16.162 1.00 0.00 O ATOM 0 H ALA A 93 0.743 -5.141 -14.771 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.045 -4.958 -17.614 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.171 -3.954 -18.067 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.178 -2.918 -17.014 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.493 -3.894 -16.318 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 14.441 -1.230 -4.029 1.00 0.00 N ATOM 1381 CA LEU B 99 13.707 -2.315 -4.734 1.00 0.00 C ATOM 1382 C LEU B 99 13.690 -3.603 -3.902 1.00 0.00 C ATOM 1383 O LEU B 99 14.192 -4.644 -4.332 1.00 0.00 O ATOM 1384 CB LEU B 99 14.374 -2.552 -6.097 1.00 0.00 C ATOM 1385 CG LEU B 99 13.416 -2.903 -7.238 1.00 0.00 C ATOM 1386 CD1 LEU B 99 14.108 -2.759 -8.586 1.00 0.00 C ATOM 1387 CD2 LEU B 99 12.869 -4.313 -7.064 1.00 0.00 C ATOM 0 HA LEU B 99 12.669 -2.015 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.929 -1.656 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU B 99 15.101 -3.358 -5.993 1.00 0.00 H new ATOM 0 HG LEU B 99 12.580 -2.205 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU B 99 13.409 -3.013 -9.383 1.00 0.00 H new ATOM 0 HD12 LEU B 99 14.445 -1.730 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU B 99 14.966 -3.430 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU B 99 12.190 -4.544 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU B 99 13.694 -5.026 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU B 99 12.331 -4.380 -6.118 1.00 0.00 H new ATOM 1401 N PHE B 100 13.106 -3.520 -2.705 1.00 0.00 N ATOM 1402 CA PHE B 100 13.015 -4.670 -1.807 1.00 0.00 C ATOM 1403 C PHE B 100 11.553 -4.980 -1.481 1.00 0.00 C ATOM 1404 O PHE B 100 10.650 -4.259 -1.910 1.00 0.00 O ATOM 1405 CB PHE B 100 13.810 -4.407 -0.521 1.00 0.00 C ATOM 1406 CG PHE B 100 15.244 -4.005 -0.761 1.00 0.00 C ATOM 1407 CD1 PHE B 100 16.118 -4.852 -1.428 1.00 0.00 C ATOM 1408 CD2 PHE B 100 15.717 -2.780 -0.315 1.00 0.00 C ATOM 1409 CE1 PHE B 100 17.433 -4.483 -1.647 1.00 0.00 C ATOM 1410 CE2 PHE B 100 17.031 -2.407 -0.531 1.00 0.00 C ATOM 1411 CZ PHE B 100 17.889 -3.259 -1.197 1.00 0.00 C ATOM 0 H PHE B 100 12.689 -2.666 -2.336 1.00 0.00 H new ATOM 0 HA PHE B 100 13.446 -5.537 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.313 -3.621 0.048 1.00 0.00 H new ATOM 0 HB3 PHE B 100 13.793 -5.306 0.095 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.767 -5.811 -1.780 1.00 0.00 H new ATOM 0 HD2 PHE B 100 15.051 -2.109 0.207 1.00 0.00 H new ATOM 0 HE1 PHE B 100 18.102 -5.151 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE B 100 17.386 -1.450 -0.179 1.00 0.00 H new ATOM 0 HZ PHE B 100 18.916 -2.969 -1.366 1.00 0.00 H new ATOM 1421 N SER B 101 11.321 -6.059 -0.729 1.00 0.00 N ATOM 1422 CA SER B 101 9.962 -6.458 -0.366 1.00 0.00 C ATOM 1423 C SER B 101 9.751 -6.443 1.151 1.00 0.00 C ATOM 1424 O SER B 101 10.578 -6.955 1.907 1.00 0.00 O ATOM 1425 CB SER B 101 9.654 -7.847 -0.933 1.00 0.00 C ATOM 1426 OG SER B 101 10.479 -8.842 -0.352 1.00 0.00 O ATOM 0 H SER B 101 12.053 -6.668 -0.362 1.00 0.00 H new ATOM 0 HA SER B 101 9.275 -5.731 -0.799 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.607 -8.090 -0.752 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.798 -7.840 -2.013 1.00 0.00 H new ATOM 0 HG SER B 101 10.300 -9.706 -0.780 1.00 0.00 H new ATOM 1432 N THR B 102 8.633 -5.849 1.584 1.00 0.00 N ATOM 1433 CA THR B 102 8.301 -5.761 3.009 1.00 0.00 C ATOM 1434 C THR B 102 7.298 -6.858 3.403 1.00 0.00 C ATOM 1435 O THR B 102 7.268 -7.925 2.782 1.00 0.00 O ATOM 1436 CB THR B 102 7.753 -4.363 3.343 1.00 0.00 C ATOM 1437 OG1 THR B 102 8.303 -3.385 2.477 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.051 -3.923 4.762 1.00 0.00 C ATOM 0 H THR B 102 7.943 -5.422 0.966 1.00 0.00 H new ATOM 0 HA THR B 102 9.210 -5.918 3.589 1.00 0.00 H new ATOM 0 HB THR B 102 6.673 -4.445 3.219 1.00 0.00 H new ATOM 0 HG1 THR B 102 9.031 -2.915 2.935 1.00 0.00 H new ATOM 0 HG21 THR B 102 7.636 -2.929 4.929 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.602 -4.626 5.463 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.130 -3.897 4.916 1.00 0.00 H new ATOM 1446 N GLU B 103 6.477 -6.598 4.431 1.00 0.00 N ATOM 1447 CA GLU B 103 5.487 -7.564 4.896 1.00 0.00 C ATOM 1448 C GLU B 103 4.621 -6.923 5.970 1.00 0.00 C ATOM 1449 O GLU B 103 4.352 -7.510 7.020 1.00 0.00 O ATOM 1450 CB GLU B 103 6.164 -8.827 5.440 1.00 0.00 C ATOM 1451 CG GLU B 103 7.328 -8.550 6.383 1.00 0.00 C ATOM 1452 CD GLU B 103 6.918 -8.551 7.844 1.00 0.00 C ATOM 1453 OE1 GLU B 103 6.500 -9.617 8.344 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.016 -7.485 8.489 1.00 0.00 O ATOM 0 H GLU B 103 6.484 -5.722 4.954 1.00 0.00 H new ATOM 0 HA GLU B 103 4.862 -7.858 4.053 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.421 -9.428 5.964 1.00 0.00 H new ATOM 0 HB3 GLU B 103 6.523 -9.424 4.602 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.102 -9.302 6.228 1.00 0.00 H new ATOM 0 HG3 GLU B 103 7.768 -7.584 6.135 1.00 0.00 H new ATOM 1461 N VAL B 104 4.205 -5.696 5.690 1.00 0.00 N ATOM 1462 CA VAL B 104 3.387 -4.924 6.604 1.00 0.00 C ATOM 1463 C VAL B 104 2.068 -5.634 6.936 1.00 0.00 C ATOM 1464 O VAL B 104 1.550 -5.422 8.052 1.00 0.00 O ATOM 1465 CB VAL B 104 3.095 -3.533 6.015 1.00 0.00 C ATOM 1466 CG1 VAL B 104 4.382 -2.751 5.797 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.311 -3.644 4.714 1.00 0.00 C ATOM 1468 OXT VAL B 104 1.569 -6.400 6.085 1.00 0.00 O ATOM 0 H VAL B 104 4.427 -5.211 4.821 1.00 0.00 H new ATOM 0 HA VAL B 104 3.951 -4.818 7.531 1.00 0.00 H new ATOM 0 HB VAL B 104 2.484 -2.990 6.736 1.00 0.00 H new ATOM 0 HG11 VAL B 104 4.147 -1.772 5.380 1.00 0.00 H new ATOM 0 HG12 VAL B 104 4.897 -2.626 6.749 1.00 0.00 H new ATOM 0 HG13 VAL B 104 5.025 -3.295 5.105 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.118 -2.646 4.319 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.889 -4.216 3.988 1.00 0.00 H new ATOM 0 HG23 VAL B 104 1.364 -4.149 4.902 1.00 0.00 H new TER 1478 VAL B 104