USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= 0.3 K(o=0.99,f=-6.2!) USER MOD Set 1.2: A 86 THR OG1 : rot -92:sc= 0.686 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 42:sc= 0.11 USER MOD Set 3.2: A 24 ASN : amide:sc= -1.59 K(o=-1.5,f=-2.5!) USER MOD Set 4.1: A 2 GLN :FLIP amide:sc= -0.74 F(o=-1.8!,f=-0.54) USER MOD Set 4.2: A 31 HIS :FLIP no HD1:sc= 0.197 F(o=-1.6,f=-0.54) USER MOD Single : A 1 ILE N :NH3+ 149:sc= -0.477 (180deg=-1.12) USER MOD Single : A 4 THR OG1 : rot 24:sc= 0.518 USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 0.512 (180deg=0.276) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 11 SER OG : rot 61:sc= 0.113 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.158 F(o=-1.8,f=-0.16) USER MOD Single : A 17 ASN : amide:sc= -3.62! C(o=-3.6!,f=-7.1!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.00626 (180deg=-0.139) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.03 F(o=-2,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.529 USER MOD Single : A 33 SER OG : rot 0:sc= 0.381 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= -0.904 (180deg=-1.06) USER MOD Single : A 42 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.029) USER MOD Single : A 52 SER OG : rot 180:sc= 0.4 USER MOD Single : A 55 SER OG : rot -140:sc= 0.551 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc=-0.00742 USER MOD Single : A 68 THR OG1 : rot 83:sc= 0.413 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0414) USER MOD Single : A 78 TYR OH : rot 81:sc= 1.04 USER MOD Single : A 83 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.05 F(o=-2.9!,f=-2.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -106:sc= -0.626 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -20.284 -10.064 -6.397 1.00 0.00 N ATOM 2 CA ILE A 1 -20.726 -9.376 -5.162 1.00 0.00 C ATOM 3 C ILE A 1 -19.646 -8.423 -4.673 1.00 0.00 C ATOM 4 O ILE A 1 -18.457 -8.698 -4.842 1.00 0.00 O ATOM 5 CB ILE A 1 -21.107 -10.386 -4.046 1.00 0.00 C ATOM 6 CG1 ILE A 1 -20.047 -11.493 -3.888 1.00 0.00 C ATOM 7 CG2 ILE A 1 -22.470 -11.002 -4.335 1.00 0.00 C ATOM 8 CD1 ILE A 1 -18.874 -11.123 -3.000 1.00 0.00 C ATOM 0 H1 ILE A 1 -20.709 -11.013 -6.437 1.00 0.00 H new ATOM 0 H2 ILE A 1 -20.585 -9.515 -7.227 1.00 0.00 H new ATOM 0 H3 ILE A 1 -19.247 -10.149 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.621 -8.803 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 1 -21.152 -9.835 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -20.528 -12.382 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -19.669 -11.759 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -22.725 -11.708 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.224 -10.215 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -22.438 -11.524 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -18.179 -11.961 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -18.363 -10.254 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -19.236 -10.887 -1.999 1.00 0.00 H new ATOM 19 N GLN A 2 -20.062 -7.297 -4.081 1.00 0.00 N ATOM 20 CA GLN A 2 -19.128 -6.270 -3.606 1.00 0.00 C ATOM 21 C GLN A 2 -18.250 -5.767 -4.772 1.00 0.00 C ATOM 22 O GLN A 2 -18.446 -6.157 -5.926 1.00 0.00 O ATOM 23 CB GLN A 2 -18.267 -6.846 -2.459 1.00 0.00 C ATOM 24 CG GLN A 2 -17.576 -5.798 -1.593 1.00 0.00 C ATOM 25 CD GLN A 2 -18.543 -5.072 -0.676 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.149 -4.007 -1.172 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -18.755 -5.477 0.466 1.00 0.00 N flip ATOM 0 H GLN A 2 -21.044 -7.074 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.687 -5.417 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -18.900 -7.464 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.509 -7.502 -2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.803 -6.279 -0.993 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.076 -5.073 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.267 -6.303 0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.418 -4.987 1.066 1.00 0.00 H new ATOM 36 N ARG A 3 -17.311 -4.883 -4.483 1.00 0.00 N ATOM 37 CA ARG A 3 -16.409 -4.371 -5.505 1.00 0.00 C ATOM 38 C ARG A 3 -14.967 -4.702 -5.146 1.00 0.00 C ATOM 39 O ARG A 3 -14.579 -4.610 -3.979 1.00 0.00 O ATOM 40 CB ARG A 3 -16.575 -2.858 -5.674 1.00 0.00 C ATOM 41 CG ARG A 3 -15.537 -2.257 -6.629 1.00 0.00 C ATOM 42 CD ARG A 3 -16.137 -1.239 -7.639 1.00 0.00 C ATOM 43 NE ARG A 3 -17.312 -1.786 -8.322 1.00 0.00 N ATOM 44 CZ ARG A 3 -18.318 -1.042 -8.791 1.00 0.00 C ATOM 45 NH1 ARG A 3 -18.239 0.285 -8.757 1.00 0.00 N ATOM 46 NH2 ARG A 3 -19.392 -1.625 -9.308 1.00 0.00 N ATOM 0 H ARG A 3 -17.152 -4.504 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.660 -4.850 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.576 -2.645 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.491 -2.375 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.761 -1.762 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.054 -3.063 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -16.413 -0.325 -7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.381 -0.968 -8.376 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.365 -2.797 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.409 0.737 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.008 0.851 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.451 -2.643 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.159 -1.056 -9.666 1.00 0.00 H new ATOM 60 N THR A 4 -14.183 -5.094 -6.145 1.00 0.00 N ATOM 61 CA THR A 4 -12.812 -5.511 -5.912 1.00 0.00 C ATOM 62 C THR A 4 -11.879 -4.316 -5.716 1.00 0.00 C ATOM 63 O THR A 4 -11.766 -3.461 -6.597 1.00 0.00 O ATOM 64 CB THR A 4 -12.272 -6.379 -7.073 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.214 -5.605 -8.280 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.146 -7.603 -7.306 1.00 0.00 C ATOM 0 H THR A 4 -14.476 -5.130 -7.121 1.00 0.00 H new ATOM 0 HA THR A 4 -12.830 -6.104 -4.998 1.00 0.00 H new ATOM 0 HB THR A 4 -11.272 -6.714 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.161 -4.653 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.738 -8.190 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.169 -8.211 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.158 -7.285 -7.555 1.00 0.00 H new ATOM 74 N PRO A 5 -11.206 -4.234 -4.556 1.00 0.00 N ATOM 75 CA PRO A 5 -10.181 -3.228 -4.318 1.00 0.00 C ATOM 76 C PRO A 5 -8.904 -3.572 -5.080 1.00 0.00 C ATOM 77 O PRO A 5 -8.363 -4.674 -4.944 1.00 0.00 O ATOM 78 CB PRO A 5 -9.938 -3.279 -2.799 1.00 0.00 C ATOM 79 CG PRO A 5 -10.934 -4.254 -2.243 1.00 0.00 C ATOM 80 CD PRO A 5 -11.388 -5.107 -3.395 1.00 0.00 C ATOM 0 HA PRO A 5 -10.484 -2.237 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.919 -3.597 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.068 -2.294 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.483 -4.866 -1.462 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.777 -3.732 -1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.794 -6.017 -3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.428 -5.414 -3.282 1.00 0.00 H new ATOM 88 N LYS A 6 -8.436 -2.643 -5.893 1.00 0.00 N ATOM 89 CA LYS A 6 -7.241 -2.872 -6.691 1.00 0.00 C ATOM 90 C LYS A 6 -6.017 -2.310 -5.984 1.00 0.00 C ATOM 91 O LYS A 6 -6.119 -1.363 -5.203 1.00 0.00 O ATOM 92 CB LYS A 6 -7.389 -2.230 -8.077 1.00 0.00 C ATOM 93 CG LYS A 6 -6.135 -2.338 -8.933 1.00 0.00 C ATOM 94 CD LYS A 6 -6.256 -1.569 -10.238 1.00 0.00 C ATOM 95 CE LYS A 6 -4.939 -1.576 -11.004 1.00 0.00 C ATOM 96 NZ LYS A 6 -3.855 -0.880 -10.257 1.00 0.00 N ATOM 0 H LYS A 6 -8.862 -1.725 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.112 -3.947 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.219 -2.703 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.647 -1.178 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.281 -1.961 -8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.936 -3.387 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.040 -2.011 -10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.555 -0.541 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.640 -2.605 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.080 -1.094 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.055 -0.698 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.214 0.023 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.538 -1.478 -9.467 1.00 0.00 H new ATOM 110 N ILE A 7 -4.864 -2.895 -6.269 1.00 0.00 N ATOM 111 CA ILE A 7 -3.630 -2.508 -5.616 1.00 0.00 C ATOM 112 C ILE A 7 -2.880 -1.493 -6.458 1.00 0.00 C ATOM 113 O ILE A 7 -2.731 -1.661 -7.674 1.00 0.00 O ATOM 114 CB ILE A 7 -2.701 -3.717 -5.387 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.515 -4.962 -5.031 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.691 -3.406 -4.287 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.424 -4.769 -3.846 1.00 0.00 C ATOM 0 H ILE A 7 -4.760 -3.644 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.905 -2.078 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.159 -3.917 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.114 -5.254 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.832 -5.786 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.041 -4.268 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.089 -2.545 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.220 -3.183 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.970 -5.692 -3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.830 -4.507 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.132 -3.967 -4.057 1.00 0.00 H new ATOM 129 N GLN A 8 -2.423 -0.435 -5.814 1.00 0.00 N ATOM 130 CA GLN A 8 -1.541 0.535 -6.459 1.00 0.00 C ATOM 131 C GLN A 8 -0.494 0.967 -5.423 1.00 0.00 C ATOM 132 O GLN A 8 -0.834 1.532 -4.381 1.00 0.00 O ATOM 133 CB GLN A 8 -2.336 1.777 -6.985 1.00 0.00 C ATOM 134 CG GLN A 8 -3.837 1.534 -7.051 1.00 0.00 C ATOM 135 CD GLN A 8 -4.650 2.812 -7.170 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.054 3.850 -7.740 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.806 2.868 -6.742 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.646 -0.220 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.064 0.078 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.139 2.630 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.972 2.042 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.057 0.892 -7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.150 0.995 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.230 2.047 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.338 3.735 -6.821 1.00 0.00 H new ATOM 146 N VAL A 9 0.762 0.674 -5.708 1.00 0.00 N ATOM 147 CA VAL A 9 1.860 0.971 -4.799 1.00 0.00 C ATOM 148 C VAL A 9 3.023 1.603 -5.554 1.00 0.00 C ATOM 149 O VAL A 9 3.458 1.100 -6.593 1.00 0.00 O ATOM 150 CB VAL A 9 2.319 -0.296 -4.017 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.365 -1.521 -4.913 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.672 -0.072 -3.353 1.00 0.00 C ATOM 0 H VAL A 9 1.052 0.223 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 9 1.498 1.689 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 9 1.579 -0.478 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.689 -2.385 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.372 -1.710 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.066 -1.349 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.967 -0.973 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.418 0.156 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.601 0.761 -2.654 1.00 0.00 H new ATOM 162 N TYR A 10 3.503 2.717 -5.022 1.00 0.00 N ATOM 163 CA TYR A 10 4.552 3.494 -5.657 1.00 0.00 C ATOM 164 C TYR A 10 5.309 4.298 -4.605 1.00 0.00 C ATOM 165 O TYR A 10 4.877 4.399 -3.454 1.00 0.00 O ATOM 166 CB TYR A 10 3.955 4.439 -6.719 1.00 0.00 C ATOM 167 CG TYR A 10 3.058 5.533 -6.162 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.684 5.346 -6.045 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.587 6.750 -5.750 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.870 6.341 -5.534 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.781 7.748 -5.241 1.00 0.00 C ATOM 172 CZ TYR A 10 1.423 7.538 -5.132 1.00 0.00 C ATOM 173 OH TYR A 10 0.618 8.528 -4.619 1.00 0.00 O ATOM 0 H TYR A 10 3.175 3.106 -4.138 1.00 0.00 H new ATOM 0 HA TYR A 10 5.244 2.812 -6.151 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.771 4.904 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.382 3.846 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.246 4.410 -6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.651 6.918 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.195 6.181 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.212 8.688 -4.930 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.047 8.131 -4.018 1.00 0.00 H new ATOM 183 N SER A 11 6.446 4.849 -4.998 1.00 0.00 N ATOM 184 CA SER A 11 7.226 5.723 -4.136 1.00 0.00 C ATOM 185 C SER A 11 6.687 7.146 -4.235 1.00 0.00 C ATOM 186 O SER A 11 6.501 7.666 -5.336 1.00 0.00 O ATOM 187 CB SER A 11 8.689 5.671 -4.600 1.00 0.00 C ATOM 188 OG SER A 11 8.760 5.243 -5.952 1.00 0.00 O ATOM 0 H SER A 11 6.854 4.704 -5.922 1.00 0.00 H new ATOM 0 HA SER A 11 7.158 5.400 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.146 6.656 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.255 4.990 -3.965 1.00 0.00 H new ATOM 0 HG SER A 11 8.278 5.878 -6.522 1.00 0.00 H new ATOM 194 N ARG A 12 6.431 7.774 -3.083 1.00 0.00 N ATOM 195 CA ARG A 12 5.808 9.105 -3.071 1.00 0.00 C ATOM 196 C ARG A 12 6.756 10.131 -3.681 1.00 0.00 C ATOM 197 O ARG A 12 6.333 11.009 -4.431 1.00 0.00 O ATOM 198 CB ARG A 12 5.387 9.519 -1.635 1.00 0.00 C ATOM 199 CG ARG A 12 4.585 10.830 -1.526 1.00 0.00 C ATOM 200 CD ARG A 12 5.477 12.034 -1.248 1.00 0.00 C ATOM 201 NE ARG A 12 5.976 12.031 0.127 1.00 0.00 N ATOM 202 CZ ARG A 12 6.894 12.879 0.594 1.00 0.00 C ATOM 203 NH1 ARG A 12 7.460 13.764 -0.215 1.00 0.00 N ATOM 204 NH2 ARG A 12 7.241 12.840 1.873 1.00 0.00 N ATOM 0 H ARG A 12 6.640 7.392 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 12 4.902 9.065 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.792 8.714 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.286 9.613 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.035 10.995 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.847 10.736 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.319 12.031 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.917 12.951 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 12 5.598 11.336 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.194 13.799 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.161 14.410 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.806 12.162 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.943 13.488 2.231 1.00 0.00 H new ATOM 218 N HIS A 13 8.034 10.016 -3.352 1.00 0.00 N ATOM 219 CA HIS A 13 9.065 10.820 -3.990 1.00 0.00 C ATOM 220 C HIS A 13 10.145 9.889 -4.556 1.00 0.00 C ATOM 221 O HIS A 13 10.078 8.686 -4.301 1.00 0.00 O ATOM 222 CB HIS A 13 9.669 11.817 -2.991 1.00 0.00 C ATOM 223 CG HIS A 13 9.068 13.188 -3.057 1.00 0.00 C ATOM 224 ND1 HIS A 13 7.855 13.577 -3.514 1.00 0.00 N flip ATOM 225 CD2 HIS A 13 9.752 14.290 -2.608 1.00 0.00 C flip ATOM 226 CE1 HIS A 13 7.783 14.935 -3.347 1.00 0.00 C flip ATOM 227 NE2 HIS A 13 8.945 15.320 -2.800 1.00 0.00 N flip ATOM 0 H HIS A 13 8.383 9.370 -2.643 1.00 0.00 H new ATOM 0 HA HIS A 13 8.626 11.396 -4.804 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.543 11.425 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.741 11.893 -3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.132 12.974 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.745 14.312 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.951 15.573 -3.606 1.00 0.00 H new ATOM 235 N PRO A 14 11.153 10.393 -5.323 1.00 0.00 N ATOM 236 CA PRO A 14 12.188 9.527 -5.912 1.00 0.00 C ATOM 237 C PRO A 14 12.876 8.655 -4.865 1.00 0.00 C ATOM 238 O PRO A 14 13.253 9.130 -3.791 1.00 0.00 O ATOM 239 CB PRO A 14 13.201 10.499 -6.539 1.00 0.00 C ATOM 240 CG PRO A 14 12.854 11.859 -5.992 1.00 0.00 C ATOM 241 CD PRO A 14 11.377 11.812 -5.675 1.00 0.00 C ATOM 0 HA PRO A 14 11.755 8.835 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.222 10.221 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.134 10.486 -7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.438 12.082 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.073 12.640 -6.720 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.121 12.477 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.772 12.116 -6.529 1.00 0.00 H new ATOM 249 N ALA A 15 13.031 7.379 -5.186 1.00 0.00 N ATOM 250 CA ALA A 15 13.623 6.429 -4.273 1.00 0.00 C ATOM 251 C ALA A 15 15.126 6.380 -4.459 1.00 0.00 C ATOM 252 O ALA A 15 15.625 6.375 -5.588 1.00 0.00 O ATOM 253 CB ALA A 15 13.025 5.054 -4.489 1.00 0.00 C ATOM 0 H ALA A 15 12.750 6.981 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 15 13.410 6.750 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.479 4.347 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.950 5.093 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.215 4.731 -5.513 1.00 0.00 H new ATOM 259 N GLU A 16 15.850 6.352 -3.360 1.00 0.00 N ATOM 260 CA GLU A 16 17.292 6.283 -3.414 1.00 0.00 C ATOM 261 C GLU A 16 17.829 5.246 -2.430 1.00 0.00 C ATOM 262 O GLU A 16 17.419 5.199 -1.272 1.00 0.00 O ATOM 263 CB GLU A 16 17.891 7.657 -3.129 1.00 0.00 C ATOM 264 CG GLU A 16 19.355 7.740 -3.507 1.00 0.00 C ATOM 265 CD GLU A 16 19.578 7.361 -4.957 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.534 8.253 -5.827 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.757 6.157 -5.235 1.00 0.00 O ATOM 0 H GLU A 16 15.461 6.376 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 16 17.585 5.972 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.333 8.414 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.779 7.886 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.719 8.753 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.936 7.079 -2.864 1.00 0.00 H new ATOM 274 N ASN A 17 18.742 4.415 -2.910 1.00 0.00 N ATOM 275 CA ASN A 17 19.348 3.366 -2.095 1.00 0.00 C ATOM 276 C ASN A 17 20.396 3.954 -1.162 1.00 0.00 C ATOM 277 O ASN A 17 21.284 4.698 -1.582 1.00 0.00 O ATOM 278 CB ASN A 17 19.943 2.265 -2.994 1.00 0.00 C ATOM 279 CG ASN A 17 21.031 1.431 -2.324 1.00 0.00 C ATOM 280 OD1 ASN A 17 21.023 1.205 -1.113 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.974 0.950 -3.117 1.00 0.00 N ATOM 0 H ASN A 17 19.084 4.446 -3.870 1.00 0.00 H new ATOM 0 HA ASN A 17 18.575 2.909 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.140 1.602 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.356 2.727 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.722 0.374 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.954 1.155 -4.116 1.00 0.00 H new ATOM 288 N GLY A 18 20.272 3.620 0.113 1.00 0.00 N ATOM 289 CA GLY A 18 21.133 4.189 1.123 1.00 0.00 C ATOM 290 C GLY A 18 20.612 5.536 1.535 1.00 0.00 C ATOM 291 O GLY A 18 21.341 6.370 2.072 1.00 0.00 O ATOM 0 H GLY A 18 19.582 2.958 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 18 21.181 3.527 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 18 22.148 4.284 0.737 1.00 0.00 H new ATOM 295 N LYS A 19 19.337 5.750 1.257 1.00 0.00 N ATOM 296 CA LYS A 19 18.703 7.021 1.499 1.00 0.00 C ATOM 297 C LYS A 19 17.263 6.808 1.922 1.00 0.00 C ATOM 298 O LYS A 19 16.635 5.818 1.551 1.00 0.00 O ATOM 299 CB LYS A 19 18.775 7.837 0.221 1.00 0.00 C ATOM 300 CG LYS A 19 18.456 9.303 0.404 1.00 0.00 C ATOM 301 CD LYS A 19 19.333 9.946 1.449 1.00 0.00 C ATOM 302 CE LYS A 19 19.146 11.457 1.510 1.00 0.00 C ATOM 303 NZ LYS A 19 19.673 12.129 0.296 1.00 0.00 N ATOM 0 H LYS A 19 18.719 5.044 0.858 1.00 0.00 H new ATOM 0 HA LYS A 19 19.211 7.554 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.776 7.744 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.082 7.414 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.583 9.823 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.410 9.413 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.108 9.515 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.377 9.720 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.087 11.688 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.652 11.850 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.731 13.154 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.621 11.760 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.037 11.945 -0.506 1.00 0.00 H new ATOM 317 N SER A 20 16.756 7.728 2.716 1.00 0.00 N ATOM 318 CA SER A 20 15.406 7.629 3.222 1.00 0.00 C ATOM 319 C SER A 20 14.393 8.000 2.144 1.00 0.00 C ATOM 320 O SER A 20 14.601 8.937 1.374 1.00 0.00 O ATOM 321 CB SER A 20 15.249 8.537 4.433 1.00 0.00 C ATOM 322 OG SER A 20 16.101 8.122 5.489 1.00 0.00 O ATOM 0 H SER A 20 17.263 8.557 3.025 1.00 0.00 H new ATOM 0 HA SER A 20 15.217 6.597 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.482 9.565 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.213 8.525 4.770 1.00 0.00 H new ATOM 0 HG SER A 20 15.986 8.720 6.257 1.00 0.00 H new ATOM 328 N ASN A 21 13.308 7.247 2.099 1.00 0.00 N ATOM 329 CA ASN A 21 12.259 7.450 1.111 1.00 0.00 C ATOM 330 C ASN A 21 10.904 7.325 1.799 1.00 0.00 C ATOM 331 O ASN A 21 10.835 6.958 2.975 1.00 0.00 O ATOM 332 CB ASN A 21 12.376 6.386 0.000 1.00 0.00 C ATOM 333 CG ASN A 21 11.617 6.746 -1.273 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.511 8.031 -1.599 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.121 5.864 -1.969 1.00 0.00 N flip ATOM 0 H ASN A 21 13.128 6.478 2.745 1.00 0.00 H new ATOM 0 HA ASN A 21 12.359 8.440 0.666 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.429 6.241 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.003 5.435 0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.216 4.886 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.614 6.110 -2.819 1.00 0.00 H new ATOM 342 N PHE A 22 9.835 7.615 1.073 1.00 0.00 N ATOM 343 CA PHE A 22 8.489 7.492 1.611 1.00 0.00 C ATOM 344 C PHE A 22 7.654 6.609 0.695 1.00 0.00 C ATOM 345 O PHE A 22 7.501 6.904 -0.494 1.00 0.00 O ATOM 346 CB PHE A 22 7.816 8.863 1.752 1.00 0.00 C ATOM 347 CG PHE A 22 8.361 9.727 2.855 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.646 10.240 2.791 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.575 10.037 3.953 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.139 11.039 3.802 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.061 10.837 4.966 1.00 0.00 C ATOM 352 CZ PHE A 22 9.343 11.340 4.892 1.00 0.00 C ATOM 0 H PHE A 22 9.874 7.938 0.106 1.00 0.00 H new ATOM 0 HA PHE A 22 8.559 7.043 2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.916 9.399 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.750 8.712 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.270 10.012 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.570 9.648 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.145 11.429 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.438 11.069 5.817 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.724 11.968 5.684 1.00 0.00 H new ATOM 362 N LEU A 23 7.123 5.529 1.246 1.00 0.00 N ATOM 363 CA LEU A 23 6.304 4.605 0.475 1.00 0.00 C ATOM 364 C LEU A 23 4.874 5.090 0.479 1.00 0.00 C ATOM 365 O LEU A 23 4.450 5.753 1.416 1.00 0.00 O ATOM 366 CB LEU A 23 6.349 3.213 1.097 1.00 0.00 C ATOM 367 CG LEU A 23 6.633 2.025 0.154 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.496 0.710 0.911 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.713 2.013 -1.060 1.00 0.00 C ATOM 0 H LEU A 23 7.244 5.270 2.225 1.00 0.00 H new ATOM 0 HA LEU A 23 6.689 4.558 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.112 3.216 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.393 3.032 1.589 1.00 0.00 H new ATOM 0 HG LEU A 23 7.654 2.143 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.699 -0.121 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.208 0.689 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.483 0.620 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.954 1.158 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.677 1.940 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.849 2.933 -1.629 1.00 0.00 H new ATOM 381 N ASN A 24 4.142 4.747 -0.554 1.00 0.00 N ATOM 382 CA ASN A 24 2.720 5.061 -0.624 1.00 0.00 C ATOM 383 C ASN A 24 1.963 3.851 -1.148 1.00 0.00 C ATOM 384 O ASN A 24 2.271 3.337 -2.225 1.00 0.00 O ATOM 385 CB ASN A 24 2.438 6.277 -1.530 1.00 0.00 C ATOM 386 CG ASN A 24 2.496 7.616 -0.815 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.235 7.806 0.145 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.705 8.569 -1.294 1.00 0.00 N ATOM 0 H ASN A 24 4.503 4.247 -1.366 1.00 0.00 H new ATOM 0 HA ASN A 24 2.385 5.314 0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.160 6.283 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.451 6.160 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.700 9.493 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.102 8.377 -2.094 1.00 0.00 H new ATOM 395 N CYS A 25 0.982 3.393 -0.387 1.00 0.00 N ATOM 396 CA CYS A 25 0.171 2.262 -0.789 1.00 0.00 C ATOM 397 C CYS A 25 -1.290 2.687 -0.780 1.00 0.00 C ATOM 398 O CYS A 25 -1.820 3.125 0.248 1.00 0.00 O ATOM 399 CB CYS A 25 0.409 1.078 0.146 1.00 0.00 C ATOM 400 SG CYS A 25 -0.056 -0.536 -0.556 1.00 0.00 S ATOM 0 H CYS A 25 0.729 3.792 0.517 1.00 0.00 H new ATOM 0 HA CYS A 25 0.445 1.942 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.464 1.052 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.154 1.237 1.065 1.00 0.00 H new ATOM 405 N TYR A 26 -1.927 2.574 -1.931 1.00 0.00 N ATOM 406 CA TYR A 26 -3.271 3.088 -2.128 1.00 0.00 C ATOM 407 C TYR A 26 -4.210 1.958 -2.505 1.00 0.00 C ATOM 408 O TYR A 26 -4.068 1.346 -3.564 1.00 0.00 O ATOM 409 CB TYR A 26 -3.288 4.144 -3.238 1.00 0.00 C ATOM 410 CG TYR A 26 -3.202 5.589 -2.769 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.350 6.291 -2.413 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.986 6.263 -2.726 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.290 7.614 -2.027 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.920 7.589 -2.334 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.075 8.259 -1.988 1.00 0.00 C ATOM 416 OH TYR A 26 -3.015 9.575 -1.593 1.00 0.00 O ATOM 0 H TYR A 26 -1.528 2.124 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.600 3.545 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.455 3.949 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.203 4.022 -3.817 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.306 5.790 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.080 5.744 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.193 8.141 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.968 8.097 -2.299 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.085 9.882 -1.619 1.00 0.00 H new ATOM 426 N VAL A 27 -5.149 1.666 -1.627 1.00 0.00 N ATOM 427 CA VAL A 27 -6.169 0.677 -1.916 1.00 0.00 C ATOM 428 C VAL A 27 -7.540 1.327 -1.772 1.00 0.00 C ATOM 429 O VAL A 27 -7.965 1.644 -0.663 1.00 0.00 O ATOM 430 CB VAL A 27 -6.073 -0.548 -0.980 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.748 -1.749 -1.611 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.626 -0.877 -0.643 1.00 0.00 C ATOM 0 H VAL A 27 -5.227 2.100 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.017 0.320 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.587 -0.298 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.672 -2.604 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.799 -1.522 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.260 -1.986 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.594 -1.744 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.080 -1.099 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.166 -0.024 -0.144 1.00 0.00 H new ATOM 442 N SER A 28 -8.205 1.582 -2.891 1.00 0.00 N ATOM 443 CA SER A 28 -9.489 2.276 -2.870 1.00 0.00 C ATOM 444 C SER A 28 -10.435 1.750 -3.950 1.00 0.00 C ATOM 445 O SER A 28 -10.031 0.972 -4.813 1.00 0.00 O ATOM 446 CB SER A 28 -9.260 3.777 -3.054 1.00 0.00 C ATOM 447 OG SER A 28 -8.347 4.267 -2.084 1.00 0.00 O ATOM 0 H SER A 28 -7.880 1.321 -3.822 1.00 0.00 H new ATOM 0 HA SER A 28 -9.960 2.090 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.874 3.971 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.208 4.308 -2.969 1.00 0.00 H new ATOM 0 HG SER A 28 -8.212 5.228 -2.218 1.00 0.00 H new ATOM 453 N GLY A 29 -11.694 2.188 -3.889 1.00 0.00 N ATOM 454 CA GLY A 29 -12.696 1.738 -4.839 1.00 0.00 C ATOM 455 C GLY A 29 -13.517 0.594 -4.286 1.00 0.00 C ATOM 456 O GLY A 29 -14.089 -0.190 -5.034 1.00 0.00 O ATOM 0 H GLY A 29 -12.036 2.850 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.354 2.568 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.208 1.423 -5.761 1.00 0.00 H new ATOM 460 N PHE A 30 -13.568 0.505 -2.969 1.00 0.00 N ATOM 461 CA PHE A 30 -14.196 -0.627 -2.299 1.00 0.00 C ATOM 462 C PHE A 30 -15.247 -0.177 -1.284 1.00 0.00 C ATOM 463 O PHE A 30 -15.498 1.017 -1.120 1.00 0.00 O ATOM 464 CB PHE A 30 -13.119 -1.433 -1.582 1.00 0.00 C ATOM 465 CG PHE A 30 -12.446 -0.638 -0.495 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.970 -0.597 0.786 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.297 0.088 -0.765 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.362 0.148 1.773 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.688 0.834 0.222 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.222 0.864 1.491 1.00 0.00 C ATOM 0 H PHE A 30 -13.181 1.205 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.699 -1.233 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.564 -2.330 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.372 -1.763 -2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.866 -1.155 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.874 0.069 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.781 0.170 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.792 1.395 -0.000 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.746 1.449 2.264 1.00 0.00 H new ATOM 480 N HIS A 31 -15.832 -1.156 -0.590 1.00 0.00 N ATOM 481 CA HIS A 31 -16.810 -0.893 0.476 1.00 0.00 C ATOM 482 C HIS A 31 -16.536 -1.853 1.638 1.00 0.00 C ATOM 483 O HIS A 31 -15.819 -2.835 1.451 1.00 0.00 O ATOM 484 CB HIS A 31 -18.269 -1.059 -0.012 1.00 0.00 C ATOM 485 CG HIS A 31 -18.538 -0.465 -1.360 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.437 -1.033 -2.585 1.00 0.00 N flip ATOM 487 CD2 HIS A 31 -18.943 0.836 -1.502 1.00 0.00 C flip ATOM 488 CE1 HIS A 31 -18.782 -0.072 -3.497 1.00 0.00 C flip ATOM 489 NE2 HIS A 31 -19.077 1.033 -2.801 1.00 0.00 N flip ATOM 0 H HIS A 31 -15.645 -2.146 -0.747 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.698 0.143 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.512 -2.121 -0.041 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.938 -0.599 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.117 1.553 -0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -18.811 -0.184 -4.571 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.368 1.916 -3.221 1.00 0.00 H new ATOM 497 N PRO A 32 -17.077 -1.608 2.856 1.00 0.00 N ATOM 498 CA PRO A 32 -17.928 -0.446 3.176 1.00 0.00 C ATOM 499 C PRO A 32 -17.176 0.875 3.048 1.00 0.00 C ATOM 500 O PRO A 32 -17.439 1.663 2.140 1.00 0.00 O ATOM 501 CB PRO A 32 -18.338 -0.678 4.635 1.00 0.00 C ATOM 502 CG PRO A 32 -18.059 -2.117 4.901 1.00 0.00 C ATOM 503 CD PRO A 32 -16.896 -2.482 4.027 1.00 0.00 C ATOM 0 HA PRO A 32 -18.772 -0.369 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.770 -0.037 5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.392 -0.447 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.823 -2.281 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.929 -2.732 4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.944 -2.299 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -16.914 -3.536 3.751 1.00 0.00 H new ATOM 511 N SER A 33 -16.246 1.124 3.961 1.00 0.00 N ATOM 512 CA SER A 33 -15.365 2.273 3.882 1.00 0.00 C ATOM 513 C SER A 33 -14.058 1.913 4.577 1.00 0.00 C ATOM 514 O SER A 33 -13.310 2.781 5.025 1.00 0.00 O ATOM 515 CB SER A 33 -16.004 3.490 4.557 1.00 0.00 C ATOM 516 OG SER A 33 -17.190 3.877 3.884 1.00 0.00 O ATOM 0 H SER A 33 -16.084 0.532 4.776 1.00 0.00 H new ATOM 0 HA SER A 33 -15.182 2.530 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.231 3.256 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.297 4.320 4.564 1.00 0.00 H new ATOM 0 HG SER A 33 -17.347 3.275 3.126 1.00 0.00 H new ATOM 522 N ASP A 34 -13.797 0.609 4.655 1.00 0.00 N ATOM 523 CA ASP A 34 -12.665 0.094 5.420 1.00 0.00 C ATOM 524 C ASP A 34 -12.078 -1.163 4.775 1.00 0.00 C ATOM 525 O ASP A 34 -12.806 -2.085 4.396 1.00 0.00 O ATOM 526 CB ASP A 34 -13.081 -0.193 6.873 1.00 0.00 C ATOM 527 CG ASP A 34 -12.254 -1.280 7.532 1.00 0.00 C ATOM 528 OD1 ASP A 34 -11.126 -0.990 7.972 1.00 0.00 O ATOM 529 OD2 ASP A 34 -12.745 -2.429 7.630 1.00 0.00 O ATOM 0 H ASP A 34 -14.356 -0.111 4.196 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.890 0.861 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.994 0.724 7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.131 -0.484 6.892 1.00 0.00 H new ATOM 534 N ILE A 35 -10.764 -1.161 4.636 1.00 0.00 N ATOM 535 CA ILE A 35 -10.009 -2.311 4.142 1.00 0.00 C ATOM 536 C ILE A 35 -8.712 -2.387 4.923 1.00 0.00 C ATOM 537 O ILE A 35 -8.246 -1.372 5.446 1.00 0.00 O ATOM 538 CB ILE A 35 -9.655 -2.218 2.630 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.257 -3.602 2.089 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.506 -1.239 2.403 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.362 -3.555 0.858 1.00 0.00 C ATOM 0 H ILE A 35 -10.181 -0.356 4.864 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.636 -3.193 4.273 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.537 -1.860 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.744 -4.154 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.162 -4.159 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.275 -1.190 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.795 -0.250 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.626 -1.578 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.127 -4.571 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.878 -3.033 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.439 -3.028 1.099 1.00 0.00 H new ATOM 553 N GLU A 36 -8.133 -3.562 5.030 1.00 0.00 N ATOM 554 CA GLU A 36 -6.859 -3.709 5.693 1.00 0.00 C ATOM 555 C GLU A 36 -5.791 -3.998 4.650 1.00 0.00 C ATOM 556 O GLU A 36 -5.965 -4.868 3.788 1.00 0.00 O ATOM 557 CB GLU A 36 -6.952 -4.863 6.698 1.00 0.00 C ATOM 558 CG GLU A 36 -5.796 -4.980 7.685 1.00 0.00 C ATOM 559 CD GLU A 36 -4.797 -6.058 7.321 1.00 0.00 C ATOM 560 OE1 GLU A 36 -4.428 -6.846 8.221 1.00 0.00 O ATOM 561 OE2 GLU A 36 -4.386 -6.135 6.152 1.00 0.00 O ATOM 0 H GLU A 36 -8.526 -4.430 4.666 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.597 -2.795 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.878 -4.753 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.026 -5.798 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.280 -4.022 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.196 -5.187 8.678 1.00 0.00 H new ATOM 568 N VAL A 37 -4.705 -3.254 4.720 1.00 0.00 N ATOM 569 CA VAL A 37 -3.588 -3.437 3.808 1.00 0.00 C ATOM 570 C VAL A 37 -2.275 -3.259 4.557 1.00 0.00 C ATOM 571 O VAL A 37 -2.137 -2.366 5.395 1.00 0.00 O ATOM 572 CB VAL A 37 -3.670 -2.495 2.564 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.754 -1.454 2.758 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.329 -1.824 2.236 1.00 0.00 C ATOM 0 H VAL A 37 -4.570 -2.510 5.405 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.638 -4.454 3.419 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.924 -3.122 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.797 -0.806 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.715 -1.950 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.530 -0.856 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.447 -1.182 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.005 -1.224 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.581 -2.589 2.025 1.00 0.00 H new ATOM 584 N ASP A 38 -1.333 -4.129 4.260 1.00 0.00 N ATOM 585 CA ASP A 38 -0.061 -4.146 4.955 1.00 0.00 C ATOM 586 C ASP A 38 1.090 -4.082 3.960 1.00 0.00 C ATOM 587 O ASP A 38 0.941 -4.446 2.797 1.00 0.00 O ATOM 588 CB ASP A 38 0.032 -5.395 5.849 1.00 0.00 C ATOM 589 CG ASP A 38 1.153 -6.338 5.469 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.310 -6.059 5.827 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.868 -7.391 4.864 1.00 0.00 O ATOM 0 H ASP A 38 -1.425 -4.841 3.535 1.00 0.00 H new ATOM 0 HA ASP A 38 0.010 -3.267 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.170 -5.080 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.914 -5.934 5.803 1.00 0.00 H new ATOM 596 N LEU A 39 2.221 -3.583 4.417 1.00 0.00 N ATOM 597 CA LEU A 39 3.390 -3.432 3.569 1.00 0.00 C ATOM 598 C LEU A 39 4.427 -4.502 3.900 1.00 0.00 C ATOM 599 O LEU A 39 4.674 -4.800 5.062 1.00 0.00 O ATOM 600 CB LEU A 39 3.995 -2.042 3.743 1.00 0.00 C ATOM 601 CG LEU A 39 3.008 -0.875 3.701 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.752 0.438 3.870 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.202 -0.865 2.412 1.00 0.00 C ATOM 0 H LEU A 39 2.357 -3.272 5.379 1.00 0.00 H new ATOM 0 HA LEU A 39 3.083 -3.552 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.522 -2.013 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.740 -1.891 2.962 1.00 0.00 H new ATOM 0 HG LEU A 39 2.305 -1.000 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.042 1.265 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.271 0.441 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.477 0.552 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.512 -0.021 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.877 -0.773 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.638 -1.794 2.329 1.00 0.00 H new ATOM 615 N LEU A 40 5.032 -5.069 2.871 1.00 0.00 N ATOM 616 CA LEU A 40 5.951 -6.186 3.030 1.00 0.00 C ATOM 617 C LEU A 40 7.374 -5.828 2.669 1.00 0.00 C ATOM 618 O LEU A 40 7.671 -4.728 2.214 1.00 0.00 O ATOM 619 CB LEU A 40 5.543 -7.368 2.168 1.00 0.00 C ATOM 620 CG LEU A 40 4.063 -7.705 2.166 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.783 -8.789 1.142 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.641 -8.144 3.551 1.00 0.00 C ATOM 0 H LEU A 40 4.902 -4.771 1.904 1.00 0.00 H new ATOM 0 HA LEU A 40 5.903 -6.447 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.852 -7.169 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.096 -8.246 2.503 1.00 0.00 H new ATOM 0 HG LEU A 40 3.486 -6.822 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.719 -9.027 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.073 -8.438 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.355 -9.682 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.578 -8.386 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.213 -9.025 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.828 -7.338 4.261 1.00 0.00 H new ATOM 634 N LYS A 41 8.231 -6.816 2.879 1.00 0.00 N ATOM 635 CA LYS A 41 9.648 -6.741 2.567 1.00 0.00 C ATOM 636 C LYS A 41 10.137 -8.112 2.166 1.00 0.00 C ATOM 637 O LYS A 41 10.369 -8.968 3.022 1.00 0.00 O ATOM 638 CB LYS A 41 10.438 -6.260 3.760 1.00 0.00 C ATOM 639 CG LYS A 41 9.851 -4.998 4.364 1.00 0.00 C ATOM 640 CD LYS A 41 10.722 -4.469 5.517 1.00 0.00 C ATOM 641 CE LYS A 41 10.795 -5.467 6.665 1.00 0.00 C ATOM 642 NZ LYS A 41 9.473 -5.710 7.303 1.00 0.00 N ATOM 0 H LYS A 41 7.953 -7.712 3.280 1.00 0.00 H new ATOM 0 HA LYS A 41 9.789 -6.033 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.465 -7.044 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.469 -6.072 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.761 -4.232 3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.845 -5.202 4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.727 -4.262 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.314 -3.525 5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.194 -6.411 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.494 -5.099 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.566 -6.458 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.140 -4.835 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.788 -6.007 6.579 1.00 0.00 H new ATOM 656 N ASN A 42 10.237 -8.319 0.863 1.00 0.00 N ATOM 657 CA ASN A 42 10.597 -9.622 0.272 1.00 0.00 C ATOM 658 C ASN A 42 9.534 -10.689 0.555 1.00 0.00 C ATOM 659 O ASN A 42 9.498 -11.735 -0.095 1.00 0.00 O ATOM 660 CB ASN A 42 11.967 -10.105 0.769 1.00 0.00 C ATOM 661 CG ASN A 42 13.126 -9.327 0.180 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.061 -8.847 -0.949 1.00 0.00 O ATOM 663 ND2 ASN A 42 14.200 -9.200 0.943 1.00 0.00 N ATOM 0 H ASN A 42 10.072 -7.589 0.170 1.00 0.00 H new ATOM 0 HA ASN A 42 10.651 -9.471 -0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.000 -10.026 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.084 -11.160 0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.013 -8.689 0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.215 -9.613 1.875 1.00 0.00 H new ATOM 670 N GLY A 43 8.673 -10.412 1.521 1.00 0.00 N ATOM 671 CA GLY A 43 7.621 -11.327 1.887 1.00 0.00 C ATOM 672 C GLY A 43 7.194 -11.155 3.326 1.00 0.00 C ATOM 673 O GLY A 43 6.224 -11.762 3.770 1.00 0.00 O ATOM 0 H GLY A 43 8.689 -9.550 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.763 -11.172 1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.960 -12.351 1.730 1.00 0.00 H new ATOM 677 N GLU A 44 7.906 -10.304 4.048 1.00 0.00 N ATOM 678 CA GLU A 44 7.703 -10.154 5.474 1.00 0.00 C ATOM 679 C GLU A 44 6.952 -8.883 5.810 1.00 0.00 C ATOM 680 O GLU A 44 7.199 -7.831 5.227 1.00 0.00 O ATOM 681 CB GLU A 44 9.054 -10.147 6.142 1.00 0.00 C ATOM 682 CG GLU A 44 9.855 -11.374 5.815 1.00 0.00 C ATOM 683 CD GLU A 44 9.236 -12.627 6.394 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.188 -12.747 7.637 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.784 -13.489 5.615 1.00 0.00 O ATOM 0 H GLU A 44 8.635 -9.704 3.662 1.00 0.00 H new ATOM 0 HA GLU A 44 7.096 -10.985 5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.607 -9.261 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.923 -10.078 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.936 -11.476 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.868 -11.259 6.201 1.00 0.00 H new ATOM 692 N ARG A 45 6.055 -8.995 6.772 1.00 0.00 N ATOM 693 CA ARG A 45 5.179 -7.911 7.139 1.00 0.00 C ATOM 694 C ARG A 45 5.933 -6.779 7.842 1.00 0.00 C ATOM 695 O ARG A 45 6.740 -7.025 8.739 1.00 0.00 O ATOM 696 CB ARG A 45 4.064 -8.464 8.048 1.00 0.00 C ATOM 697 CG ARG A 45 2.669 -8.441 7.426 1.00 0.00 C ATOM 698 CD ARG A 45 1.531 -8.424 8.449 1.00 0.00 C ATOM 699 NE ARG A 45 0.243 -8.249 7.777 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.915 -8.075 8.408 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.985 -8.185 9.728 1.00 0.00 N ATOM 702 NH2 ARG A 45 -2.007 -7.803 7.706 1.00 0.00 N ATOM 0 H ARG A 45 5.917 -9.845 7.319 1.00 0.00 H new ATOM 0 HA ARG A 45 4.749 -7.487 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.310 -9.491 8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.046 -7.886 8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.582 -7.563 6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.554 -9.315 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.529 -9.355 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.688 -7.616 9.164 1.00 0.00 H new ATOM 0 HE ARG A 45 0.232 -8.261 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.147 -8.404 10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.877 -8.050 10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.955 -7.729 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.899 -7.668 8.182 1.00 0.00 H new ATOM 716 N ILE A 46 5.679 -5.540 7.419 1.00 0.00 N ATOM 717 CA ILE A 46 6.232 -4.375 8.082 1.00 0.00 C ATOM 718 C ILE A 46 5.292 -3.947 9.192 1.00 0.00 C ATOM 719 O ILE A 46 4.075 -3.951 9.022 1.00 0.00 O ATOM 720 CB ILE A 46 6.422 -3.183 7.117 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.310 -3.555 5.932 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.031 -2.000 7.862 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.374 -2.459 4.885 1.00 0.00 C ATOM 0 H ILE A 46 5.090 -5.325 6.615 1.00 0.00 H new ATOM 0 HA ILE A 46 7.211 -4.654 8.472 1.00 0.00 H new ATOM 0 HB ILE A 46 5.440 -2.909 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.317 -3.769 6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.933 -4.469 5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.161 -1.165 7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.368 -1.701 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.000 -2.287 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.019 -2.776 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.372 -2.261 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.777 -1.551 5.333 1.00 0.00 H new ATOM 735 N GLU A 47 5.851 -3.582 10.323 1.00 0.00 N ATOM 736 CA GLU A 47 5.040 -3.190 11.469 1.00 0.00 C ATOM 737 C GLU A 47 5.019 -1.672 11.673 1.00 0.00 C ATOM 738 O GLU A 47 4.016 -1.121 12.124 1.00 0.00 O ATOM 739 CB GLU A 47 5.495 -3.934 12.734 1.00 0.00 C ATOM 740 CG GLU A 47 6.972 -4.193 12.834 1.00 0.00 C ATOM 741 CD GLU A 47 7.755 -3.048 13.424 1.00 0.00 C ATOM 742 OE1 GLU A 47 7.252 -2.392 14.357 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.894 -2.816 12.968 1.00 0.00 O ATOM 0 H GLU A 47 6.858 -3.546 10.481 1.00 0.00 H new ATOM 0 HA GLU A 47 4.011 -3.482 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.185 -3.357 13.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.972 -4.889 12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.134 -5.083 13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.361 -4.412 11.839 1.00 0.00 H new ATOM 750 N LYS A 48 6.124 -0.999 11.358 1.00 0.00 N ATOM 751 CA LYS A 48 6.189 0.461 11.425 1.00 0.00 C ATOM 752 C LYS A 48 5.399 1.156 10.312 1.00 0.00 C ATOM 753 O LYS A 48 5.601 2.342 10.047 1.00 0.00 O ATOM 754 CB LYS A 48 7.651 0.879 11.374 1.00 0.00 C ATOM 755 CG LYS A 48 8.475 0.190 12.442 1.00 0.00 C ATOM 756 CD LYS A 48 8.636 1.064 13.679 1.00 0.00 C ATOM 757 CE LYS A 48 9.154 0.283 14.883 1.00 0.00 C ATOM 758 NZ LYS A 48 9.198 1.128 16.105 1.00 0.00 N ATOM 0 H LYS A 48 6.990 -1.443 11.053 1.00 0.00 H new ATOM 0 HA LYS A 48 5.724 0.774 12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.061 0.644 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.724 1.959 11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.998 -0.750 12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.458 -0.057 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.323 1.880 13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.676 1.515 13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.513 -0.581 15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.152 -0.099 14.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.555 0.565 16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.829 1.939 15.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.241 1.472 16.324 1.00 0.00 H new ATOM 772 N VAL A 49 4.531 0.417 9.643 1.00 0.00 N ATOM 773 CA VAL A 49 3.582 1.003 8.709 1.00 0.00 C ATOM 774 C VAL A 49 2.513 1.793 9.453 1.00 0.00 C ATOM 775 O VAL A 49 2.040 1.365 10.507 1.00 0.00 O ATOM 776 CB VAL A 49 2.897 -0.087 7.870 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.864 0.516 6.926 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.935 -0.878 7.104 1.00 0.00 C ATOM 0 H VAL A 49 4.463 -0.597 9.730 1.00 0.00 H new ATOM 0 HA VAL A 49 4.139 1.671 8.052 1.00 0.00 H new ATOM 0 HB VAL A 49 2.370 -0.763 8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.395 -0.278 6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.103 1.039 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.354 1.219 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.441 -1.649 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.487 -0.210 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.626 -1.346 7.805 1.00 0.00 H new ATOM 788 N GLU A 50 2.140 2.939 8.906 1.00 0.00 N ATOM 789 CA GLU A 50 1.092 3.747 9.491 1.00 0.00 C ATOM 790 C GLU A 50 0.080 4.164 8.433 1.00 0.00 C ATOM 791 O GLU A 50 0.419 4.372 7.264 1.00 0.00 O ATOM 792 CB GLU A 50 1.661 4.996 10.174 1.00 0.00 C ATOM 793 CG GLU A 50 2.658 4.699 11.283 1.00 0.00 C ATOM 794 CD GLU A 50 2.986 5.930 12.100 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.322 6.151 13.136 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.899 6.686 11.709 1.00 0.00 O ATOM 0 H GLU A 50 2.550 3.327 8.057 1.00 0.00 H new ATOM 0 HA GLU A 50 0.596 3.136 10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.145 5.619 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.837 5.578 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.252 3.928 11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.574 4.298 10.848 1.00 0.00 H new ATOM 803 N HIS A 51 -1.160 4.258 8.858 1.00 0.00 N ATOM 804 CA HIS A 51 -2.216 4.822 8.035 1.00 0.00 C ATOM 805 C HIS A 51 -2.657 6.144 8.643 1.00 0.00 C ATOM 806 O HIS A 51 -2.987 6.215 9.826 1.00 0.00 O ATOM 807 CB HIS A 51 -3.409 3.861 7.878 1.00 0.00 C ATOM 808 CG HIS A 51 -4.044 3.400 9.161 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.298 3.826 9.523 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.580 2.545 10.105 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.569 3.226 10.668 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.557 2.440 11.064 1.00 0.00 N ATOM 0 H HIS A 51 -1.468 3.948 9.780 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.824 4.988 7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.171 4.352 7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.076 2.984 7.323 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.624 2.042 10.103 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.490 3.353 11.217 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.520 1.875 11.912 1.00 0.00 H new ATOM 820 N SER A 52 -2.618 7.195 7.845 1.00 0.00 N ATOM 821 CA SER A 52 -2.963 8.522 8.330 1.00 0.00 C ATOM 822 C SER A 52 -4.472 8.735 8.242 1.00 0.00 C ATOM 823 O SER A 52 -5.230 7.766 8.163 1.00 0.00 O ATOM 824 CB SER A 52 -2.211 9.596 7.538 1.00 0.00 C ATOM 825 OG SER A 52 -2.306 10.866 8.170 1.00 0.00 O ATOM 0 H SER A 52 -2.352 7.158 6.861 1.00 0.00 H new ATOM 0 HA SER A 52 -2.663 8.605 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.163 9.313 7.442 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.618 9.658 6.529 1.00 0.00 H new ATOM 0 HG SER A 52 -1.815 11.531 7.643 1.00 0.00 H new ATOM 831 N ASP A 53 -4.895 9.998 8.289 1.00 0.00 N ATOM 832 CA ASP A 53 -6.314 10.355 8.251 1.00 0.00 C ATOM 833 C ASP A 53 -7.043 9.603 7.141 1.00 0.00 C ATOM 834 O ASP A 53 -6.640 9.666 5.978 1.00 0.00 O ATOM 835 CB ASP A 53 -6.474 11.864 8.060 1.00 0.00 C ATOM 836 CG ASP A 53 -7.922 12.307 8.085 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.605 12.055 9.100 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.379 12.925 7.103 1.00 0.00 O ATOM 0 H ASP A 53 -4.268 10.800 8.354 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.760 10.067 9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.925 12.385 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.026 12.155 7.110 1.00 0.00 H new ATOM 843 N LEU A 54 -8.100 8.888 7.535 1.00 0.00 N ATOM 844 CA LEU A 54 -8.834 7.973 6.652 1.00 0.00 C ATOM 845 C LEU A 54 -9.090 8.564 5.270 1.00 0.00 C ATOM 846 O LEU A 54 -8.384 8.247 4.314 1.00 0.00 O ATOM 847 CB LEU A 54 -10.170 7.565 7.293 1.00 0.00 C ATOM 848 CG LEU A 54 -10.966 6.500 6.525 1.00 0.00 C ATOM 849 CD1 LEU A 54 -10.228 5.170 6.507 1.00 0.00 C ATOM 850 CD2 LEU A 54 -12.358 6.332 7.121 1.00 0.00 C ATOM 0 H LEU A 54 -8.475 8.927 8.483 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.201 7.095 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.974 7.194 8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.791 8.455 7.397 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.071 6.841 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.816 4.435 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.260 5.298 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.079 4.823 7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.904 5.573 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.273 6.024 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.894 7.279 7.066 1.00 0.00 H new ATOM 862 N SER A 55 -10.085 9.428 5.170 1.00 0.00 N ATOM 863 CA SER A 55 -10.500 9.965 3.883 1.00 0.00 C ATOM 864 C SER A 55 -11.395 11.180 4.084 1.00 0.00 C ATOM 865 O SER A 55 -11.825 11.469 5.199 1.00 0.00 O ATOM 866 CB SER A 55 -11.249 8.889 3.083 1.00 0.00 C ATOM 867 OG SER A 55 -11.535 9.319 1.759 1.00 0.00 O ATOM 0 H SER A 55 -10.622 9.774 5.965 1.00 0.00 H new ATOM 0 HA SER A 55 -9.613 10.270 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.650 7.979 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.179 8.639 3.593 1.00 0.00 H new ATOM 0 HG SER A 55 -12.433 9.020 1.505 1.00 0.00 H new ATOM 873 N PHE A 56 -11.670 11.881 3.001 1.00 0.00 N ATOM 874 CA PHE A 56 -12.570 13.014 3.031 1.00 0.00 C ATOM 875 C PHE A 56 -13.767 12.724 2.137 1.00 0.00 C ATOM 876 O PHE A 56 -13.623 12.098 1.084 1.00 0.00 O ATOM 877 CB PHE A 56 -11.847 14.294 2.579 1.00 0.00 C ATOM 878 CG PHE A 56 -11.340 14.255 1.162 1.00 0.00 C ATOM 879 CD1 PHE A 56 -10.125 13.663 0.863 1.00 0.00 C ATOM 880 CD2 PHE A 56 -12.081 14.810 0.131 1.00 0.00 C ATOM 881 CE1 PHE A 56 -9.658 13.627 -0.437 1.00 0.00 C ATOM 882 CE2 PHE A 56 -11.619 14.778 -1.169 1.00 0.00 C ATOM 883 CZ PHE A 56 -10.406 14.184 -1.454 1.00 0.00 C ATOM 0 H PHE A 56 -11.277 11.681 2.081 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.916 13.174 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.528 15.138 2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.006 14.477 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.536 13.224 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -13.032 15.273 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.708 13.163 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.206 15.217 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.043 14.155 -2.471 1.00 0.00 H new ATOM 893 N SER A 57 -14.947 13.129 2.578 1.00 0.00 N ATOM 894 CA SER A 57 -16.152 12.957 1.785 1.00 0.00 C ATOM 895 C SER A 57 -16.091 13.856 0.555 1.00 0.00 C ATOM 896 O SER A 57 -15.685 15.014 0.654 1.00 0.00 O ATOM 897 CB SER A 57 -17.384 13.296 2.626 1.00 0.00 C ATOM 898 OG SER A 57 -17.337 12.647 3.889 1.00 0.00 O ATOM 0 H SER A 57 -15.095 13.579 3.481 1.00 0.00 H new ATOM 0 HA SER A 57 -16.224 11.918 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.444 14.375 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.286 12.995 2.093 1.00 0.00 H new ATOM 0 HG SER A 57 -18.135 12.882 4.407 1.00 0.00 H new ATOM 904 N LYS A 58 -16.483 13.335 -0.601 1.00 0.00 N ATOM 905 CA LYS A 58 -16.448 14.126 -1.819 1.00 0.00 C ATOM 906 C LYS A 58 -17.422 13.590 -2.859 1.00 0.00 C ATOM 907 O LYS A 58 -18.485 14.171 -3.066 1.00 0.00 O ATOM 908 CB LYS A 58 -15.034 14.193 -2.404 1.00 0.00 C ATOM 909 CG LYS A 58 -14.907 15.216 -3.522 1.00 0.00 C ATOM 910 CD LYS A 58 -15.361 16.592 -3.043 1.00 0.00 C ATOM 911 CE LYS A 58 -15.440 17.618 -4.166 1.00 0.00 C ATOM 912 NZ LYS A 58 -14.133 17.830 -4.841 1.00 0.00 N ATOM 0 H LYS A 58 -16.824 12.381 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.755 15.137 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.329 14.439 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.756 13.210 -2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.872 15.266 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.508 14.906 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.340 16.502 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.671 16.950 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.175 17.290 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.794 18.566 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.243 18.537 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.435 18.169 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.805 16.933 -5.252 1.00 0.00 H new ATOM 926 N ASP A 59 -17.084 12.475 -3.503 1.00 0.00 N ATOM 927 CA ASP A 59 -17.905 11.957 -4.586 1.00 0.00 C ATOM 928 C ASP A 59 -18.809 10.850 -4.065 1.00 0.00 C ATOM 929 O ASP A 59 -20.033 10.972 -4.083 1.00 0.00 O ATOM 930 CB ASP A 59 -17.009 11.421 -5.707 1.00 0.00 C ATOM 931 CG ASP A 59 -17.776 11.070 -6.969 1.00 0.00 C ATOM 932 OD1 ASP A 59 -18.322 9.950 -7.057 1.00 0.00 O ATOM 933 OD2 ASP A 59 -17.821 11.913 -7.893 1.00 0.00 O ATOM 0 H ASP A 59 -16.254 11.920 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.524 12.762 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.251 12.167 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.483 10.535 -5.351 1.00 0.00 H new ATOM 938 N TRP A 60 -18.185 9.776 -3.587 1.00 0.00 N ATOM 939 CA TRP A 60 -18.903 8.645 -3.005 1.00 0.00 C ATOM 940 C TRP A 60 -17.911 7.632 -2.447 1.00 0.00 C ATOM 941 O TRP A 60 -18.027 7.203 -1.303 1.00 0.00 O ATOM 942 CB TRP A 60 -19.807 7.977 -4.048 1.00 0.00 C ATOM 943 CG TRP A 60 -20.569 6.798 -3.519 1.00 0.00 C ATOM 944 CD1 TRP A 60 -21.346 6.757 -2.396 1.00 0.00 C ATOM 945 CD2 TRP A 60 -20.636 5.493 -4.101 1.00 0.00 C ATOM 946 NE1 TRP A 60 -21.886 5.503 -2.241 1.00 0.00 N ATOM 947 CE2 TRP A 60 -21.469 4.711 -3.278 1.00 0.00 C ATOM 948 CE3 TRP A 60 -20.075 4.913 -5.241 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -21.749 3.375 -3.557 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -20.350 3.589 -5.523 1.00 0.00 C ATOM 951 CH2 TRP A 60 -21.189 2.829 -4.682 1.00 0.00 C ATOM 0 H TRP A 60 -17.171 9.665 -3.592 1.00 0.00 H new ATOM 0 HA TRP A 60 -19.532 9.016 -2.195 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -20.514 8.714 -4.429 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -19.197 7.655 -4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -21.512 7.589 -1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -22.497 5.210 -1.479 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -19.436 5.491 -5.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -22.385 2.790 -2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -19.917 3.130 -6.399 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -21.394 1.798 -4.929 1.00 0.00 H new ATOM 962 N SER A 61 -16.933 7.264 -3.261 1.00 0.00 N ATOM 963 CA SER A 61 -15.906 6.322 -2.845 1.00 0.00 C ATOM 964 C SER A 61 -14.888 7.001 -1.933 1.00 0.00 C ATOM 965 O SER A 61 -14.528 8.160 -2.145 1.00 0.00 O ATOM 966 CB SER A 61 -15.206 5.739 -4.078 1.00 0.00 C ATOM 967 OG SER A 61 -16.130 5.043 -4.892 1.00 0.00 O ATOM 0 H SER A 61 -16.829 7.605 -4.217 1.00 0.00 H new ATOM 0 HA SER A 61 -16.379 5.514 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.740 6.540 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.408 5.065 -3.765 1.00 0.00 H new ATOM 0 HG SER A 61 -15.667 4.679 -5.675 1.00 0.00 H new ATOM 973 N PHE A 62 -14.438 6.276 -0.917 1.00 0.00 N ATOM 974 CA PHE A 62 -13.457 6.791 0.026 1.00 0.00 C ATOM 975 C PHE A 62 -12.084 6.195 -0.271 1.00 0.00 C ATOM 976 O PHE A 62 -11.972 5.168 -0.945 1.00 0.00 O ATOM 977 CB PHE A 62 -13.875 6.459 1.473 1.00 0.00 C ATOM 978 CG PHE A 62 -15.237 6.975 1.891 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.402 6.345 1.467 1.00 0.00 C ATOM 980 CD2 PHE A 62 -15.350 8.075 2.737 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.647 6.802 1.874 1.00 0.00 C ATOM 982 CE2 PHE A 62 -16.592 8.534 3.143 1.00 0.00 C ATOM 983 CZ PHE A 62 -17.739 7.897 2.712 1.00 0.00 C ATOM 0 H PHE A 62 -14.741 5.321 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.406 7.874 -0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.862 5.376 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.127 6.867 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.337 5.489 0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -14.458 8.577 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.543 6.303 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -16.664 9.391 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 62 -18.707 8.254 3.030 1.00 0.00 H new ATOM 993 N TYR A 63 -11.051 6.850 0.234 1.00 0.00 N ATOM 994 CA TYR A 63 -9.675 6.458 -0.030 1.00 0.00 C ATOM 995 C TYR A 63 -8.986 6.107 1.285 1.00 0.00 C ATOM 996 O TYR A 63 -9.343 6.642 2.330 1.00 0.00 O ATOM 997 CB TYR A 63 -8.938 7.617 -0.719 1.00 0.00 C ATOM 998 CG TYR A 63 -9.781 8.339 -1.750 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.398 9.544 -1.441 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.968 7.815 -3.024 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.176 10.208 -2.368 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.745 8.473 -3.959 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.346 9.669 -3.626 1.00 0.00 C ATOM 1004 OH TYR A 63 -12.121 10.327 -4.557 1.00 0.00 O ATOM 0 H TYR A 63 -11.142 7.667 0.838 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.659 5.586 -0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.612 8.331 0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.040 7.231 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.267 9.970 -0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.499 6.879 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.649 11.144 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.881 8.053 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.137 9.813 -5.391 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.024 5.194 1.246 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.255 4.858 2.436 1.00 0.00 C ATOM 1016 C LEU A 64 -5.797 4.607 2.069 1.00 0.00 C ATOM 1017 O LEU A 64 -5.495 3.881 1.117 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.914 3.666 3.149 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.090 2.935 4.210 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.983 2.564 5.381 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.465 1.685 3.612 1.00 0.00 C ATOM 0 H LEU A 64 -7.759 4.676 0.408 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.255 5.694 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.831 4.021 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.206 2.940 2.390 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.293 3.590 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.395 2.043 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.410 3.469 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.786 1.914 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.880 1.170 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.251 1.023 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.815 1.964 2.783 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.903 5.235 2.827 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.479 5.218 2.525 1.00 0.00 C ATOM 1035 C LEU A 65 -2.702 4.481 3.616 1.00 0.00 C ATOM 1036 O LEU A 65 -2.884 4.739 4.803 1.00 0.00 O ATOM 1037 CB LEU A 65 -2.967 6.662 2.411 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.810 6.906 1.432 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.493 8.390 1.351 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.566 6.135 1.839 1.00 0.00 C ATOM 0 H LEU A 65 -5.145 5.767 3.663 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.327 4.695 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.802 7.297 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.651 6.990 3.401 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.125 6.549 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.671 8.549 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.373 8.932 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.208 8.755 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.233 6.331 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.250 6.452 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.787 5.068 1.852 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.833 3.574 3.198 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.923 2.885 4.108 1.00 0.00 C ATOM 1054 C TYR A 66 0.513 3.131 3.673 1.00 0.00 C ATOM 1055 O TYR A 66 0.900 2.781 2.562 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.221 1.385 4.148 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.181 0.950 5.238 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.718 0.666 6.517 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.536 0.782 4.985 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.575 0.228 7.509 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.397 0.348 5.972 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.913 0.070 7.229 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.772 -0.367 8.211 1.00 0.00 O ATOM 0 H TYR A 66 -1.736 3.293 2.222 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.067 3.280 5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.631 1.086 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.282 0.847 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.669 0.790 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.922 0.995 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.197 0.011 8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.449 0.227 5.758 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.681 -0.423 7.849 1.00 0.00 H new ATOM 1073 N TYR A 67 1.296 3.760 4.533 1.00 0.00 N ATOM 1074 CA TYR A 67 2.658 4.129 4.173 1.00 0.00 C ATOM 1075 C TYR A 67 3.635 3.869 5.307 1.00 0.00 C ATOM 1076 O TYR A 67 3.238 3.617 6.444 1.00 0.00 O ATOM 1077 CB TYR A 67 2.719 5.608 3.757 1.00 0.00 C ATOM 1078 CG TYR A 67 2.349 6.590 4.850 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.032 6.995 5.031 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.321 7.129 5.685 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.695 7.907 6.014 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.992 8.036 6.670 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.678 8.422 6.832 1.00 0.00 C ATOM 1084 OH TYR A 67 1.352 9.333 7.810 1.00 0.00 O ATOM 0 H TYR A 67 1.017 4.025 5.478 1.00 0.00 H new ATOM 0 HA TYR A 67 2.952 3.503 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.728 5.833 3.412 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.051 5.761 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.259 6.591 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.352 6.832 5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.333 8.214 6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.760 8.442 7.312 1.00 0.00 H new ATOM 0 HH TYR A 67 2.161 9.594 8.297 1.00 0.00 H new ATOM 1094 N THR A 68 4.917 3.922 4.981 1.00 0.00 N ATOM 1095 CA THR A 68 5.967 3.770 5.977 1.00 0.00 C ATOM 1096 C THR A 68 7.252 4.446 5.492 1.00 0.00 C ATOM 1097 O THR A 68 7.493 4.555 4.284 1.00 0.00 O ATOM 1098 CB THR A 68 6.241 2.274 6.307 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.110 2.171 7.441 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.864 1.539 5.124 1.00 0.00 C ATOM 0 H THR A 68 5.257 4.070 4.031 1.00 0.00 H new ATOM 0 HA THR A 68 5.626 4.252 6.893 1.00 0.00 H new ATOM 0 HB THR A 68 5.281 1.808 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.584 2.249 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.040 0.498 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.187 1.583 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.811 2.010 4.860 1.00 0.00 H new ATOM 1108 N GLU A 69 8.038 4.937 6.439 1.00 0.00 N ATOM 1109 CA GLU A 69 9.324 5.552 6.139 1.00 0.00 C ATOM 1110 C GLU A 69 10.402 4.474 6.138 1.00 0.00 C ATOM 1111 O GLU A 69 10.534 3.719 7.099 1.00 0.00 O ATOM 1112 CB GLU A 69 9.646 6.639 7.172 1.00 0.00 C ATOM 1113 CG GLU A 69 10.913 7.427 6.883 1.00 0.00 C ATOM 1114 CD GLU A 69 11.166 8.497 7.920 1.00 0.00 C ATOM 1115 OE1 GLU A 69 10.895 9.682 7.636 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.614 8.156 9.038 1.00 0.00 O ATOM 0 H GLU A 69 7.805 4.921 7.432 1.00 0.00 H new ATOM 0 HA GLU A 69 9.286 6.022 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.806 7.332 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.738 6.174 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.763 6.746 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.836 7.888 5.898 1.00 0.00 H new ATOM 1123 N PHE A 70 11.170 4.409 5.062 1.00 0.00 N ATOM 1124 CA PHE A 70 12.091 3.299 4.851 1.00 0.00 C ATOM 1125 C PHE A 70 13.369 3.781 4.170 1.00 0.00 C ATOM 1126 O PHE A 70 13.411 4.885 3.622 1.00 0.00 O ATOM 1127 CB PHE A 70 11.413 2.180 4.041 1.00 0.00 C ATOM 1128 CG PHE A 70 11.019 2.545 2.631 1.00 0.00 C ATOM 1129 CD1 PHE A 70 11.109 1.603 1.630 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.550 3.806 2.310 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.746 1.900 0.331 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.187 4.116 1.017 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.283 3.164 0.021 1.00 0.00 C ATOM 0 H PHE A 70 11.175 5.110 4.321 1.00 0.00 H new ATOM 0 HA PHE A 70 12.367 2.888 5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.087 1.325 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.520 1.857 4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.470 0.613 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.467 4.557 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.824 1.147 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.826 5.106 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.998 3.406 -0.992 1.00 0.00 H new ATOM 1143 N THR A 71 14.410 2.963 4.223 1.00 0.00 N ATOM 1144 CA THR A 71 15.669 3.278 3.569 1.00 0.00 C ATOM 1145 C THR A 71 16.080 2.151 2.613 1.00 0.00 C ATOM 1146 O THR A 71 16.775 1.212 3.014 1.00 0.00 O ATOM 1147 CB THR A 71 16.779 3.512 4.613 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.355 4.522 5.540 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.078 3.949 3.951 1.00 0.00 C ATOM 0 H THR A 71 14.406 2.070 4.716 1.00 0.00 H new ATOM 0 HA THR A 71 15.530 4.193 2.993 1.00 0.00 H new ATOM 0 HB THR A 71 16.960 2.572 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.059 4.671 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.840 4.106 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.411 3.176 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.914 4.878 3.406 1.00 0.00 H new ATOM 1157 N PRO A 72 15.623 2.221 1.346 1.00 0.00 N ATOM 1158 CA PRO A 72 15.925 1.214 0.312 1.00 0.00 C ATOM 1159 C PRO A 72 17.414 0.897 0.172 1.00 0.00 C ATOM 1160 O PRO A 72 18.277 1.756 0.374 1.00 0.00 O ATOM 1161 CB PRO A 72 15.398 1.851 -0.989 1.00 0.00 C ATOM 1162 CG PRO A 72 15.059 3.266 -0.646 1.00 0.00 C ATOM 1163 CD PRO A 72 14.742 3.273 0.819 1.00 0.00 C ATOM 0 HA PRO A 72 15.466 0.258 0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.151 1.810 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.522 1.318 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.893 3.932 -0.868 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.208 3.616 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.951 4.241 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.691 3.053 1.007 1.00 0.00 H new ATOM 1171 N THR A 73 17.687 -0.356 -0.162 1.00 0.00 N ATOM 1172 CA THR A 73 19.032 -0.854 -0.376 1.00 0.00 C ATOM 1173 C THR A 73 19.107 -1.534 -1.743 1.00 0.00 C ATOM 1174 O THR A 73 18.127 -1.529 -2.486 1.00 0.00 O ATOM 1175 CB THR A 73 19.460 -1.852 0.727 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.730 -3.072 0.599 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.219 -1.270 2.113 1.00 0.00 C ATOM 0 H THR A 73 16.965 -1.065 -0.293 1.00 0.00 H new ATOM 0 HA THR A 73 19.716 -0.006 -0.337 1.00 0.00 H new ATOM 0 HB THR A 73 20.526 -2.046 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 73 19.010 -3.696 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.528 -1.991 2.869 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.797 -0.353 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.159 -1.048 2.235 1.00 0.00 H new ATOM 1185 N GLU A 74 20.253 -2.108 -2.085 1.00 0.00 N ATOM 1186 CA GLU A 74 20.403 -2.765 -3.379 1.00 0.00 C ATOM 1187 C GLU A 74 19.773 -4.172 -3.332 1.00 0.00 C ATOM 1188 O GLU A 74 19.267 -4.685 -4.332 1.00 0.00 O ATOM 1189 CB GLU A 74 21.884 -2.897 -3.721 1.00 0.00 C ATOM 1190 CG GLU A 74 22.200 -2.757 -5.185 1.00 0.00 C ATOM 1191 CD GLU A 74 22.343 -1.312 -5.621 1.00 0.00 C ATOM 1192 OE1 GLU A 74 23.439 -0.737 -5.445 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.369 -0.748 -6.158 1.00 0.00 O ATOM 0 H GLU A 74 21.084 -2.133 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 74 19.900 -2.165 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 74 22.441 -2.140 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.238 -3.869 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 74 23.124 -3.291 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.411 -3.231 -5.769 1.00 0.00 H new ATOM 1200 N LYS A 75 19.826 -4.780 -2.144 1.00 0.00 N ATOM 1201 CA LYS A 75 19.398 -6.145 -1.915 1.00 0.00 C ATOM 1202 C LYS A 75 17.943 -6.275 -1.482 1.00 0.00 C ATOM 1203 O LYS A 75 17.328 -7.319 -1.713 1.00 0.00 O ATOM 1204 CB LYS A 75 20.262 -6.779 -0.827 1.00 0.00 C ATOM 1205 CG LYS A 75 21.704 -6.972 -1.250 1.00 0.00 C ATOM 1206 CD LYS A 75 21.735 -7.695 -2.573 1.00 0.00 C ATOM 1207 CE LYS A 75 23.152 -7.880 -3.095 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.941 -8.798 -2.228 1.00 0.00 N ATOM 0 H LYS A 75 20.176 -4.320 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 75 19.505 -6.651 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.232 -6.152 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.838 -7.745 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.203 -6.007 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.244 -7.544 -0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.260 -8.670 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.151 -7.136 -3.304 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.117 -8.277 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.650 -6.912 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.866 -8.981 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.081 -8.360 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.428 -9.695 -2.115 1.00 0.00 H new ATOM 1222 N ASP A 76 17.380 -5.253 -0.854 1.00 0.00 N ATOM 1223 CA ASP A 76 16.075 -5.435 -0.224 1.00 0.00 C ATOM 1224 C ASP A 76 14.945 -5.038 -1.176 1.00 0.00 C ATOM 1225 O ASP A 76 15.189 -4.525 -2.268 1.00 0.00 O ATOM 1226 CB ASP A 76 15.990 -4.675 1.119 1.00 0.00 C ATOM 1227 CG ASP A 76 15.908 -3.167 0.996 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.265 -2.621 -0.062 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.532 -2.519 1.994 1.00 0.00 O ATOM 0 H ASP A 76 17.785 -4.321 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 76 15.954 -6.495 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.115 -5.028 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.864 -4.929 1.719 1.00 0.00 H new ATOM 1234 N GLU A 77 13.712 -5.309 -0.760 1.00 0.00 N ATOM 1235 CA GLU A 77 12.544 -5.072 -1.595 1.00 0.00 C ATOM 1236 C GLU A 77 11.304 -5.045 -0.725 1.00 0.00 C ATOM 1237 O GLU A 77 11.240 -5.744 0.286 1.00 0.00 O ATOM 1238 CB GLU A 77 12.420 -6.172 -2.659 1.00 0.00 C ATOM 1239 CG GLU A 77 11.317 -5.934 -3.693 1.00 0.00 C ATOM 1240 CD GLU A 77 11.600 -4.732 -4.582 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.001 -4.936 -5.750 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.436 -3.584 -4.116 1.00 0.00 O ATOM 0 H GLU A 77 13.497 -5.696 0.159 1.00 0.00 H new ATOM 0 HA GLU A 77 12.652 -4.113 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.373 -6.266 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.234 -7.123 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.208 -6.823 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.367 -5.786 -3.179 1.00 0.00 H new ATOM 1249 N TYR A 78 10.328 -4.241 -1.102 1.00 0.00 N ATOM 1250 CA TYR A 78 9.131 -4.104 -0.302 1.00 0.00 C ATOM 1251 C TYR A 78 7.900 -4.370 -1.154 1.00 0.00 C ATOM 1252 O TYR A 78 7.952 -4.287 -2.381 1.00 0.00 O ATOM 1253 CB TYR A 78 9.040 -2.714 0.369 1.00 0.00 C ATOM 1254 CG TYR A 78 10.360 -2.143 0.865 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.591 -1.972 2.227 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.365 -1.760 -0.021 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.783 -1.440 2.688 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.555 -1.235 0.436 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.759 -1.081 1.788 1.00 0.00 C ATOM 1260 OH TYR A 78 13.939 -0.547 2.242 1.00 0.00 O ATOM 0 H TYR A 78 10.342 -3.677 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 78 9.179 -4.844 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.605 -2.013 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.352 -2.780 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.828 -2.259 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.209 -1.876 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.945 -1.308 3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.324 -0.946 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 78 14.530 -1.268 2.543 1.00 0.00 H new ATOM 1270 N ALA A 79 6.804 -4.714 -0.502 1.00 0.00 N ATOM 1271 CA ALA A 79 5.579 -5.106 -1.212 1.00 0.00 C ATOM 1272 C ALA A 79 4.328 -4.601 -0.500 1.00 0.00 C ATOM 1273 O ALA A 79 4.402 -4.129 0.620 1.00 0.00 O ATOM 1274 CB ALA A 79 5.529 -6.615 -1.400 1.00 0.00 C ATOM 0 H ALA A 79 6.727 -4.733 0.515 1.00 0.00 H new ATOM 0 HA ALA A 79 5.602 -4.637 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.614 -6.886 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.393 -6.938 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.544 -7.104 -0.426 1.00 0.00 H new ATOM 1280 N CYS A 80 3.201 -4.626 -1.192 1.00 0.00 N ATOM 1281 CA CYS A 80 1.919 -4.236 -0.611 1.00 0.00 C ATOM 1282 C CYS A 80 0.964 -5.433 -0.571 1.00 0.00 C ATOM 1283 O CYS A 80 0.828 -6.152 -1.560 1.00 0.00 O ATOM 1284 CB CYS A 80 1.290 -3.112 -1.435 1.00 0.00 C ATOM 1285 SG CYS A 80 1.737 -1.436 -0.887 1.00 0.00 S ATOM 0 H CYS A 80 3.145 -4.915 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 80 2.094 -3.886 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.588 -3.232 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.205 -3.215 -1.399 1.00 0.00 H new ATOM 1290 N ARG A 81 0.315 -5.638 0.568 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.671 -6.710 0.740 1.00 0.00 C ATOM 1292 C ARG A 81 -2.028 -6.109 1.100 1.00 0.00 C ATOM 1293 O ARG A 81 -2.086 -5.164 1.876 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.248 -7.635 1.882 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.959 -8.980 1.896 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.892 -9.636 3.270 1.00 0.00 C ATOM 1297 NE ARG A 81 0.465 -9.720 3.798 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.101 -10.865 4.034 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.556 -12.020 3.667 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.293 -10.851 4.622 1.00 0.00 N ATOM 0 H ARG A 81 0.454 -5.068 1.402 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.736 -7.270 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.826 -7.806 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.433 -7.130 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.001 -8.844 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.507 -9.639 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.512 -9.071 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.314 -10.639 3.208 1.00 0.00 H new ATOM 0 HE ARG A 81 0.956 -8.849 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.352 -12.031 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.046 -12.896 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.718 -9.964 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.782 -11.727 4.804 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.120 -6.640 0.553 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.452 -6.188 0.974 1.00 0.00 C ATOM 1316 C VAL A 82 -5.393 -7.360 1.195 1.00 0.00 C ATOM 1317 O VAL A 82 -5.310 -8.386 0.516 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.113 -5.194 -0.013 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.091 -4.235 -0.563 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.849 -5.907 -1.133 1.00 0.00 C ATOM 0 H VAL A 82 -3.116 -7.365 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.284 -5.660 1.913 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.857 -4.625 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.575 -3.545 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.642 -3.673 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.316 -4.792 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.297 -5.171 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.148 -6.526 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.632 -6.537 -0.711 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.269 -7.191 2.165 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.267 -8.202 2.506 1.00 0.00 C ATOM 1332 C ASN A 83 -8.685 -7.696 2.255 1.00 0.00 C ATOM 1333 O ASN A 83 -9.123 -6.750 2.906 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.158 -8.593 3.998 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.839 -9.242 4.374 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.710 -10.462 4.337 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.859 -8.444 4.765 1.00 0.00 N ATOM 0 H ASN A 83 -6.315 -6.352 2.743 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.070 -9.066 1.871 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.298 -7.700 4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.970 -9.277 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.962 -8.839 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.000 -7.434 4.784 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.411 -8.312 1.319 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.823 -8.044 1.167 1.00 0.00 C ATOM 1346 C HIS A 84 -11.504 -9.337 0.753 1.00 0.00 C ATOM 1347 O HIS A 84 -10.865 -10.218 0.171 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.053 -6.964 0.111 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.327 -6.204 0.304 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.387 -6.354 -0.556 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.648 -5.287 1.253 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.325 -5.531 -0.118 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.922 -4.864 0.974 1.00 0.00 N ATOM 0 H HIS A 84 -9.036 -8.996 0.662 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.237 -7.682 2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.216 -6.266 0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.061 -7.427 -0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.022 -4.956 2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.293 -5.411 -0.581 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.461 -4.174 1.497 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.793 -9.448 1.049 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.535 -10.678 0.799 1.00 0.00 C ATOM 1363 C VAL A 85 -13.640 -10.948 -0.702 1.00 0.00 C ATOM 1364 O VAL A 85 -13.833 -12.088 -1.129 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.953 -10.612 1.420 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.806 -9.570 0.712 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.629 -11.977 1.388 1.00 0.00 C ATOM 0 H VAL A 85 -13.348 -8.699 1.464 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.988 -11.495 1.270 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.848 -10.314 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.797 -9.542 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.336 -8.591 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.897 -9.830 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.622 -11.901 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.716 -12.316 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.033 -12.692 1.955 1.00 0.00 H new ATOM 1377 N THR A 86 -13.493 -9.889 -1.491 1.00 0.00 N ATOM 1378 CA THR A 86 -13.624 -9.967 -2.934 1.00 0.00 C ATOM 1379 C THR A 86 -12.510 -10.781 -3.556 1.00 0.00 C ATOM 1380 O THR A 86 -12.747 -11.663 -4.385 1.00 0.00 O ATOM 1381 CB THR A 86 -13.570 -8.560 -3.536 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.468 -7.840 -2.972 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.844 -7.793 -3.278 1.00 0.00 C ATOM 0 H THR A 86 -13.280 -8.954 -1.144 1.00 0.00 H new ATOM 0 HA THR A 86 -14.579 -10.449 -3.145 1.00 0.00 H new ATOM 0 HB THR A 86 -13.446 -8.664 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.773 -7.337 -2.188 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.767 -6.800 -3.720 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.685 -8.324 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.002 -7.700 -2.203 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.291 -10.464 -3.153 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.116 -11.087 -3.730 1.00 0.00 C ATOM 1393 C LEU A 87 -10.110 -12.584 -3.431 1.00 0.00 C ATOM 1394 O LEU A 87 -9.481 -13.368 -4.141 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.840 -10.427 -3.192 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.649 -8.961 -3.598 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.313 -8.429 -3.094 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.749 -8.814 -5.111 1.00 0.00 C ATOM 0 H LEU A 87 -11.091 -9.777 -2.426 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.145 -10.949 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.848 -10.489 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.979 -10.999 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.442 -8.371 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.200 -7.387 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.280 -8.499 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.502 -9.020 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.611 -7.768 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.977 -9.418 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.730 -9.150 -5.445 1.00 0.00 H new ATOM 1410 N SER A 88 -10.828 -12.951 -2.361 1.00 0.00 N ATOM 1411 CA SER A 88 -10.894 -14.321 -1.831 1.00 0.00 C ATOM 1412 C SER A 88 -9.539 -14.765 -1.276 1.00 0.00 C ATOM 1413 O SER A 88 -9.467 -15.632 -0.404 1.00 0.00 O ATOM 1414 CB SER A 88 -11.397 -15.324 -2.874 1.00 0.00 C ATOM 1415 OG SER A 88 -12.350 -14.748 -3.744 1.00 0.00 O ATOM 0 H SER A 88 -11.392 -12.289 -1.827 1.00 0.00 H new ATOM 0 HA SER A 88 -11.617 -14.305 -1.016 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.554 -15.697 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.839 -16.182 -2.368 1.00 0.00 H new ATOM 0 HG SER A 88 -12.645 -15.418 -4.395 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.478 -14.137 -1.765 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.117 -14.437 -1.378 1.00 0.00 C ATOM 1423 C GLN A 89 -6.386 -13.108 -1.366 1.00 0.00 C ATOM 1424 O GLN A 89 -6.304 -12.461 -2.413 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.417 -15.367 -2.392 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.344 -16.121 -3.344 1.00 0.00 C ATOM 1427 CD GLN A 89 -8.079 -17.275 -2.693 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -9.294 -17.542 -3.160 1.00 0.00 O flip ATOM 1429 NE2 GLN A 89 -7.570 -17.916 -1.776 1.00 0.00 N flip ATOM 0 H GLN A 89 -8.547 -13.390 -2.456 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.111 -14.944 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.723 -14.772 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.822 -16.095 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.073 -15.423 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.759 -16.501 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.634 -17.679 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.083 -18.685 -1.345 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.901 -12.648 -0.199 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.208 -11.356 -0.087 1.00 0.00 C ATOM 1440 C PRO A 90 -4.197 -11.133 -1.199 1.00 0.00 C ATOM 1441 O PRO A 90 -3.558 -12.076 -1.673 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.517 -11.468 1.260 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.467 -12.272 2.065 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.986 -13.330 1.116 1.00 0.00 C ATOM 0 HA PRO A 90 -5.890 -10.510 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.547 -11.958 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.342 -10.488 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.973 -12.722 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.279 -11.655 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.378 -14.235 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.008 -13.625 1.356 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.022 -9.883 -1.581 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.289 -9.567 -2.783 1.00 0.00 C ATOM 1454 C LYS A 91 -1.961 -8.929 -2.445 1.00 0.00 C ATOM 1455 O LYS A 91 -1.905 -7.985 -1.662 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.084 -8.617 -3.666 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.435 -8.418 -5.017 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.428 -9.720 -5.791 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.810 -10.081 -6.314 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.848 -11.461 -6.862 1.00 0.00 N ATOM 0 H LYS A 91 -4.379 -9.073 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.118 -10.500 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.092 -9.008 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.181 -7.654 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.974 -7.655 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.414 -8.057 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.734 -9.641 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.063 -10.521 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.539 -9.989 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.101 -9.373 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.806 -11.671 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.170 -11.542 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.594 -12.138 -6.115 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.898 -9.453 -3.022 1.00 0.00 N ATOM 1475 CA ILE A 92 0.416 -8.861 -2.862 1.00 0.00 C ATOM 1476 C ILE A 92 0.895 -8.290 -4.183 1.00 0.00 C ATOM 1477 O ILE A 92 0.851 -8.957 -5.217 1.00 0.00 O ATOM 1478 CB ILE A 92 1.487 -9.861 -2.357 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.155 -10.394 -0.956 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.870 -9.215 -2.357 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.128 -11.504 -0.941 1.00 0.00 C ATOM 0 H ILE A 92 -0.918 -10.289 -3.607 1.00 0.00 H new ATOM 0 HA ILE A 92 0.300 -8.082 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 92 1.488 -10.707 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.072 -10.757 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.791 -9.570 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.607 -9.934 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.127 -8.905 -3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.865 -8.344 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.048 -11.823 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.805 -11.143 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.496 -12.348 -1.524 1.00 0.00 H new ATOM 1493 N VAL A 93 1.333 -7.051 -4.137 1.00 0.00 N ATOM 1494 CA VAL A 93 1.972 -6.413 -5.266 1.00 0.00 C ATOM 1495 C VAL A 93 3.272 -5.783 -4.795 1.00 0.00 C ATOM 1496 O VAL A 93 3.293 -5.050 -3.809 1.00 0.00 O ATOM 1497 CB VAL A 93 1.073 -5.336 -5.914 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.793 -4.634 -7.061 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.225 -5.957 -6.407 1.00 0.00 C ATOM 0 H VAL A 93 1.255 -6.456 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 93 2.162 -7.171 -6.026 1.00 0.00 H new ATOM 0 HB VAL A 93 0.841 -4.590 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.136 -3.882 -7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.695 -4.153 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.063 -5.365 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.848 -5.186 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.002 -6.726 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.756 -6.405 -5.567 1.00 0.00 H new ATOM 1509 N LYS A 94 4.345 -6.088 -5.494 1.00 0.00 N ATOM 1510 CA LYS A 94 5.660 -5.604 -5.116 1.00 0.00 C ATOM 1511 C LYS A 94 5.822 -4.129 -5.457 1.00 0.00 C ATOM 1512 O LYS A 94 5.199 -3.622 -6.393 1.00 0.00 O ATOM 1513 CB LYS A 94 6.758 -6.388 -5.809 1.00 0.00 C ATOM 1514 CG LYS A 94 6.999 -7.782 -5.256 1.00 0.00 C ATOM 1515 CD LYS A 94 8.255 -8.371 -5.876 1.00 0.00 C ATOM 1516 CE LYS A 94 8.789 -9.559 -5.094 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.895 -10.744 -5.202 1.00 0.00 N ATOM 0 H LYS A 94 4.334 -6.671 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 94 5.747 -5.740 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.512 -6.471 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.687 -5.821 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.103 -7.740 -4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.142 -8.421 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.040 -8.681 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.024 -7.601 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.782 -9.819 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.900 -9.283 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.296 -11.532 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.955 -10.505 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.809 -11.024 -6.200 1.00 0.00 H new ATOM 1531 N TRP A 95 6.662 -3.449 -4.698 1.00 0.00 N ATOM 1532 CA TRP A 95 6.973 -2.063 -4.965 1.00 0.00 C ATOM 1533 C TRP A 95 8.116 -1.984 -5.960 1.00 0.00 C ATOM 1534 O TRP A 95 9.124 -2.673 -5.817 1.00 0.00 O ATOM 1535 CB TRP A 95 7.366 -1.319 -3.679 1.00 0.00 C ATOM 1536 CG TRP A 95 7.861 0.065 -3.952 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.112 1.121 -4.354 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.211 0.538 -3.856 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.905 2.223 -4.536 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.200 1.895 -4.228 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.424 -0.054 -3.497 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.357 2.669 -4.249 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.573 0.712 -3.517 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.533 2.065 -3.890 1.00 0.00 C ATOM 0 H TRP A 95 7.142 -3.840 -3.887 1.00 0.00 H new ATOM 0 HA TRP A 95 6.082 -1.588 -5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.505 -1.269 -3.013 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.140 -1.883 -3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.043 1.097 -4.509 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.584 3.139 -4.850 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.463 -1.094 -3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.328 3.709 -4.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.516 0.264 -3.242 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.447 2.641 -3.894 1.00 0.00 H new ATOM 1555 N ASP A 96 7.951 -1.166 -6.976 1.00 0.00 N ATOM 1556 CA ASP A 96 9.018 -0.925 -7.917 1.00 0.00 C ATOM 1557 C ASP A 96 9.133 0.559 -8.196 1.00 0.00 C ATOM 1558 O ASP A 96 8.156 1.306 -8.124 1.00 0.00 O ATOM 1559 CB ASP A 96 8.793 -1.693 -9.224 1.00 0.00 C ATOM 1560 CG ASP A 96 7.651 -1.140 -10.049 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.910 -0.321 -10.952 1.00 0.00 O ATOM 1562 OD2 ASP A 96 6.494 -1.551 -9.824 1.00 0.00 O ATOM 0 H ASP A 96 7.088 -0.658 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 96 9.948 -1.283 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.708 -1.666 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.593 -2.740 -8.994 1.00 0.00 H new ATOM 1567 N ARG A 97 10.348 0.968 -8.487 1.00 0.00 N ATOM 1568 CA ARG A 97 10.636 2.344 -8.848 1.00 0.00 C ATOM 1569 C ARG A 97 10.444 2.517 -10.337 1.00 0.00 C ATOM 1570 O ARG A 97 10.066 3.589 -10.807 1.00 0.00 O ATOM 1571 CB ARG A 97 12.075 2.728 -8.445 1.00 0.00 C ATOM 1572 CG ARG A 97 13.147 1.622 -8.654 1.00 0.00 C ATOM 1573 CD ARG A 97 13.214 0.572 -7.518 1.00 0.00 C ATOM 1574 NE ARG A 97 12.857 -0.781 -7.958 1.00 0.00 N ATOM 1575 CZ ARG A 97 12.455 -1.758 -7.128 1.00 0.00 C ATOM 1576 NH1 ARG A 97 12.283 -1.522 -5.834 1.00 0.00 N ATOM 1577 NH2 ARG A 97 12.221 -2.969 -7.604 1.00 0.00 N ATOM 0 H ARG A 97 11.166 0.359 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 97 9.952 3.003 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.371 3.608 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.075 3.015 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.944 1.109 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.124 2.095 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.222 0.558 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.544 0.874 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 97 12.918 -0.993 -8.954 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.456 -0.590 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.977 -2.273 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.346 -3.159 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.916 -3.713 -6.977 1.00 0.00 H new ATOM 1591 N ASP A 98 10.690 1.432 -11.056 1.00 0.00 N ATOM 1592 CA ASP A 98 10.504 1.382 -12.511 1.00 0.00 C ATOM 1593 C ASP A 98 11.044 0.066 -13.042 1.00 0.00 C ATOM 1594 O ASP A 98 10.881 -0.278 -14.209 1.00 0.00 O ATOM 1595 CB ASP A 98 11.242 2.527 -13.201 1.00 0.00 C ATOM 1596 CG ASP A 98 10.819 2.699 -14.643 1.00 0.00 C ATOM 1597 OD1 ASP A 98 11.602 2.344 -15.549 1.00 0.00 O ATOM 1598 OD2 ASP A 98 9.698 3.197 -14.877 1.00 0.00 O ATOM 0 H ASP A 98 11.025 0.557 -10.653 1.00 0.00 H new ATOM 0 HA ASP A 98 9.438 1.473 -12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 98 11.058 3.454 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.315 2.341 -13.160 1.00 0.00 H new ATOM 1603 N MET A 99 11.671 -0.667 -12.147 1.00 0.00 N ATOM 1604 CA MET A 99 12.427 -1.850 -12.495 1.00 0.00 C ATOM 1605 C MET A 99 12.441 -2.784 -11.300 1.00 0.00 C ATOM 1606 CB MET A 99 13.862 -1.432 -12.881 1.00 0.00 C ATOM 1607 CG MET A 99 14.393 -0.331 -11.978 1.00 0.00 C ATOM 1608 SD MET A 99 15.740 0.610 -12.726 1.00 0.00 S ATOM 1609 CE MET A 99 14.939 1.229 -14.203 1.00 0.00 C ATOM 0 H MET A 99 11.670 -0.456 -11.149 1.00 0.00 H new ATOM 0 HA MET A 99 11.974 -2.365 -13.342 1.00 0.00 H new ATOM 0 HB2 MET A 99 14.521 -2.299 -12.823 1.00 0.00 H new ATOM 0 HB3 MET A 99 13.875 -1.091 -13.916 1.00 0.00 H new ATOM 0 HG2 MET A 99 13.579 0.349 -11.726 1.00 0.00 H new ATOM 0 HG3 MET A 99 14.741 -0.772 -11.044 1.00 0.00 H new ATOM 0 HE1 MET A 99 15.304 0.681 -15.072 1.00 0.00 H new ATOM 0 HE2 MET A 99 13.861 1.095 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 99 15.164 2.289 -14.322 1.00 0.00 H new TER 1619 MET A 99