USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 9 LYS NZ :NH3+ -173:sc= -0.164 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.78 K(o=-1.9,f=-3.2) USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 MET CE :methyl 136:sc= -1.29 (180deg=-1.82!) USER MOD Single : A 8 LYS NZ :NH3+ -124:sc= -1.72 (180deg=-2.75!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 14 THR OG1 : rot -32:sc= -3.6! USER MOD Single : A 15 ASN :FLIP amide:sc= -0.446 F(o=-2.7,f=-0.45) USER MOD Single : A 19 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.76) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -120:sc= -1.8 USER MOD Single : A 29 THR OG1 : rot 170:sc= -0.545 USER MOD Single : A 34 GLN : amide:sc= 0.59 K(o=0.59,f=-0.89) USER MOD Single : A 36 SER OG : rot -150:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.61! C(o=-5.6!,f=-12!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.542 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.5!) USER MOD Single : A 66 MET CE :methyl 177:sc= -0.0606 (180deg=-0.0924) USER MOD Single : A 68 LYS NZ :NH3+ -126:sc= -1.84 (180deg=-8.13!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 10.808 10.831 -5.060 1.00 0.00 N ATOM 24 CA GLU A 7 9.583 10.243 -4.528 1.00 0.00 C ATOM 25 C GLU A 7 9.679 10.067 -3.016 1.00 0.00 C ATOM 26 O GLU A 7 10.678 10.442 -2.401 1.00 0.00 O ATOM 27 CB GLU A 7 9.300 8.895 -5.199 1.00 0.00 C ATOM 28 CG GLU A 7 10.547 8.068 -5.469 1.00 0.00 C ATOM 29 CD GLU A 7 11.173 8.380 -6.814 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.007 9.520 -7.296 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.829 7.484 -7.387 1.00 0.00 O ATOM 0 HA GLU A 7 8.759 10.923 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.624 8.320 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.781 9.071 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.278 8.251 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.292 7.009 -5.428 1.00 0.00 H new ATOM 38 N LYS A 8 8.637 9.496 -2.419 1.00 0.00 N ATOM 39 CA LYS A 8 8.610 9.276 -0.980 1.00 0.00 C ATOM 40 C LYS A 8 8.946 7.828 -0.645 1.00 0.00 C ATOM 41 O LYS A 8 8.798 6.934 -1.478 1.00 0.00 O ATOM 42 CB LYS A 8 7.236 9.641 -0.411 1.00 0.00 C ATOM 43 CG LYS A 8 6.126 8.681 -0.814 1.00 0.00 C ATOM 44 CD LYS A 8 5.006 9.398 -1.553 1.00 0.00 C ATOM 45 CE LYS A 8 3.692 8.641 -1.440 1.00 0.00 C ATOM 46 NZ LYS A 8 3.456 7.756 -2.614 1.00 0.00 N ATOM 0 H LYS A 8 7.802 9.178 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 8 9.364 9.918 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.300 9.670 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.972 10.645 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.536 7.895 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.724 8.195 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.885 10.402 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.274 9.509 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.696 8.042 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.870 9.352 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.543 7.994 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.218 7.891 -3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.443 6.764 -2.303 1.00 0.00 H new ATOM 60 N LYS A 9 9.390 7.606 0.586 1.00 0.00 N ATOM 61 CA LYS A 9 9.739 6.269 1.045 1.00 0.00 C ATOM 62 C LYS A 9 8.786 5.825 2.147 1.00 0.00 C ATOM 63 O LYS A 9 8.510 6.577 3.081 1.00 0.00 O ATOM 64 CB LYS A 9 11.183 6.234 1.551 1.00 0.00 C ATOM 65 CG LYS A 9 11.598 4.883 2.113 1.00 0.00 C ATOM 66 CD LYS A 9 11.771 4.933 3.623 1.00 0.00 C ATOM 67 CE LYS A 9 13.222 5.165 4.010 1.00 0.00 C ATOM 68 NZ LYS A 9 13.596 6.604 3.928 1.00 0.00 N ATOM 0 H LYS A 9 9.517 8.337 1.285 1.00 0.00 H new ATOM 0 HA LYS A 9 9.650 5.582 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.853 6.499 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.307 6.993 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.847 4.136 1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.533 4.567 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.152 5.730 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.421 3.998 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.389 4.804 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.870 4.584 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.619 6.706 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.350 6.974 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.080 7.139 4.656 1.00 0.00 H new ATOM 82 N ILE A 10 8.277 4.605 2.028 1.00 0.00 N ATOM 83 CA ILE A 10 7.346 4.075 3.013 1.00 0.00 C ATOM 84 C ILE A 10 7.704 2.642 3.394 1.00 0.00 C ATOM 85 O ILE A 10 8.468 1.976 2.696 1.00 0.00 O ATOM 86 CB ILE A 10 5.887 4.130 2.502 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.781 5.044 1.271 1.00 0.00 C ATOM 88 CG2 ILE A 10 4.966 4.611 3.613 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.363 5.438 0.911 1.00 0.00 C ATOM 0 H ILE A 10 8.493 3.967 1.262 1.00 0.00 H new ATOM 0 HA ILE A 10 7.426 4.706 3.898 1.00 0.00 H new ATOM 0 HB ILE A 10 5.579 3.128 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.363 5.948 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.234 4.539 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.940 4.647 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.025 3.924 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.272 5.607 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.376 6.082 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.780 4.543 0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.911 5.973 1.746 1.00 0.00 H new ATOM 101 N ARG A 11 7.156 2.176 4.513 1.00 0.00 N ATOM 102 CA ARG A 11 7.430 0.826 4.992 1.00 0.00 C ATOM 103 C ARG A 11 6.306 -0.133 4.616 1.00 0.00 C ATOM 104 O ARG A 11 5.160 0.277 4.444 1.00 0.00 O ATOM 105 CB ARG A 11 7.620 0.834 6.512 1.00 0.00 C ATOM 106 CG ARG A 11 7.966 -0.527 7.092 1.00 0.00 C ATOM 107 CD ARG A 11 7.856 -0.530 8.608 1.00 0.00 C ATOM 108 NE ARG A 11 8.770 0.427 9.226 1.00 0.00 N ATOM 109 CZ ARG A 11 9.031 0.465 10.531 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.452 -0.398 11.357 1.00 0.00 N ATOM 111 NH2 ARG A 11 9.876 1.367 11.012 1.00 0.00 N ATOM 0 H ARG A 11 6.521 2.713 5.104 1.00 0.00 H new ATOM 0 HA ARG A 11 8.347 0.480 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.411 1.539 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.706 1.197 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.298 -1.281 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.979 -0.802 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.832 -0.292 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.070 -1.530 8.985 1.00 0.00 H new ATOM 0 HE ARG A 11 9.235 1.105 8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.803 -1.096 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.656 -0.364 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.326 2.031 10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.076 1.396 12.012 1.00 0.00 H new ATOM 125 N ILE A 12 6.645 -1.413 4.497 1.00 0.00 N ATOM 126 CA ILE A 12 5.667 -2.434 4.150 1.00 0.00 C ATOM 127 C ILE A 12 5.833 -3.669 5.026 1.00 0.00 C ATOM 128 O ILE A 12 6.944 -4.009 5.430 1.00 0.00 O ATOM 129 CB ILE A 12 5.788 -2.869 2.677 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.688 -1.661 1.742 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.713 -3.893 2.350 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.361 -1.879 0.402 1.00 0.00 C ATOM 0 H ILE A 12 7.592 -1.767 4.636 1.00 0.00 H new ATOM 0 HA ILE A 12 4.686 -1.987 4.313 1.00 0.00 H new ATOM 0 HB ILE A 12 6.766 -3.326 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.637 -1.424 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.137 -0.796 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.804 -4.196 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.833 -4.765 2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.729 -3.453 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.252 -0.984 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.420 -2.086 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.896 -2.724 -0.105 1.00 0.00 H new ATOM 144 N THR A 13 4.724 -4.343 5.305 1.00 0.00 N ATOM 145 CA THR A 13 4.757 -5.549 6.121 1.00 0.00 C ATOM 146 C THR A 13 3.627 -6.503 5.755 1.00 0.00 C ATOM 147 O THR A 13 2.454 -6.189 5.943 1.00 0.00 O ATOM 148 CB THR A 13 4.682 -5.196 7.600 1.00 0.00 C ATOM 149 OG1 THR A 13 5.245 -3.920 7.844 1.00 0.00 O ATOM 150 CG2 THR A 13 5.405 -6.196 8.467 1.00 0.00 C ATOM 0 H THR A 13 3.795 -4.076 4.980 1.00 0.00 H new ATOM 0 HA THR A 13 5.703 -6.053 5.922 1.00 0.00 H new ATOM 0 HB THR A 13 3.623 -5.203 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.185 -3.713 8.800 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.322 -5.899 9.512 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.960 -7.182 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.457 -6.231 8.183 1.00 0.00 H new ATOM 158 N THR A 14 3.986 -7.673 5.234 1.00 0.00 N ATOM 159 CA THR A 14 2.992 -8.665 4.843 1.00 0.00 C ATOM 160 C THR A 14 2.576 -9.529 6.023 1.00 0.00 C ATOM 161 O THR A 14 3.402 -9.898 6.868 1.00 0.00 O ATOM 162 CB THR A 14 3.512 -9.550 3.710 1.00 0.00 C ATOM 163 OG1 THR A 14 4.133 -10.723 4.214 1.00 0.00 O ATOM 164 CG2 THR A 14 4.506 -8.846 2.819 1.00 0.00 C ATOM 0 H THR A 14 4.953 -7.955 5.074 1.00 0.00 H new ATOM 0 HA THR A 14 2.117 -8.120 4.489 1.00 0.00 H new ATOM 0 HB THR A 14 2.631 -9.805 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.555 -10.525 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.838 -9.527 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.035 -7.973 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.365 -8.529 3.411 1.00 0.00 H new ATOM 172 N ASN A 15 1.286 -9.846 6.054 1.00 0.00 N ATOM 173 CA ASN A 15 0.702 -10.666 7.109 1.00 0.00 C ATOM 174 C ASN A 15 1.494 -11.954 7.321 1.00 0.00 C ATOM 175 O ASN A 15 1.488 -12.523 8.413 1.00 0.00 O ATOM 176 CB ASN A 15 -0.766 -10.977 6.775 1.00 0.00 C ATOM 177 CG ASN A 15 -0.955 -12.282 6.024 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.474 -12.327 4.792 1.00 0.00 O flip ATOM 179 ND2 ASN A 15 -1.526 -13.238 6.549 1.00 0.00 N flip ATOM 0 H ASN A 15 0.616 -9.541 5.348 1.00 0.00 H new ATOM 0 HA ASN A 15 0.744 -10.104 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.341 -11.014 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.175 -10.162 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.881 -13.159 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.644 -14.109 6.031 1.00 0.00 H new ATOM 186 N ASP A 16 2.182 -12.407 6.277 1.00 0.00 N ATOM 187 CA ASP A 16 2.978 -13.624 6.369 1.00 0.00 C ATOM 188 C ASP A 16 4.044 -13.482 7.451 1.00 0.00 C ATOM 189 O ASP A 16 4.542 -14.476 7.980 1.00 0.00 O ATOM 190 CB ASP A 16 3.626 -13.943 5.022 1.00 0.00 C ATOM 191 CG ASP A 16 2.925 -15.077 4.302 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.745 -15.338 4.615 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.555 -15.704 3.425 1.00 0.00 O ATOM 0 H ASP A 16 2.204 -11.953 5.364 1.00 0.00 H new ATOM 0 HA ASP A 16 2.318 -14.448 6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.611 -13.052 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.672 -14.206 5.178 1.00 0.00 H new ATOM 198 N GLY A 17 4.384 -12.239 7.781 1.00 0.00 N ATOM 199 CA GLY A 17 5.379 -11.987 8.803 1.00 0.00 C ATOM 200 C GLY A 17 6.654 -11.389 8.243 1.00 0.00 C ATOM 201 O GLY A 17 7.735 -11.598 8.795 1.00 0.00 O ATOM 0 H GLY A 17 3.986 -11.401 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.963 -11.311 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.614 -12.921 9.314 1.00 0.00 H new ATOM 205 N ARG A 18 6.535 -10.643 7.147 1.00 0.00 N ATOM 206 CA ARG A 18 7.704 -10.023 6.531 1.00 0.00 C ATOM 207 C ARG A 18 7.466 -8.538 6.267 1.00 0.00 C ATOM 208 O ARG A 18 6.324 -8.096 6.171 1.00 0.00 O ATOM 209 CB ARG A 18 8.068 -10.749 5.233 1.00 0.00 C ATOM 210 CG ARG A 18 7.265 -10.299 4.025 1.00 0.00 C ATOM 211 CD ARG A 18 7.530 -11.189 2.826 1.00 0.00 C ATOM 212 NE ARG A 18 7.227 -12.590 3.107 1.00 0.00 N ATOM 213 CZ ARG A 18 6.041 -13.154 2.892 1.00 0.00 C ATOM 214 NH1 ARG A 18 5.022 -12.430 2.441 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.868 -14.444 3.142 1.00 0.00 N ATOM 0 H ARG A 18 5.652 -10.455 6.672 1.00 0.00 H new ATOM 0 HA ARG A 18 8.539 -10.108 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.128 -10.596 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.922 -11.820 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.202 -10.316 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.520 -9.268 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.928 -10.850 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.575 -11.096 2.530 1.00 0.00 H new ATOM 0 HE ARG A 18 7.971 -13.172 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.146 -11.434 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.116 -12.870 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.643 -15.003 3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.960 -14.878 2.978 1.00 0.00 H new ATOM 229 N GLN A 19 8.551 -7.775 6.152 1.00 0.00 N ATOM 230 CA GLN A 19 8.449 -6.339 5.901 1.00 0.00 C ATOM 231 C GLN A 19 9.531 -5.862 4.936 1.00 0.00 C ATOM 232 O GLN A 19 10.578 -6.494 4.795 1.00 0.00 O ATOM 233 CB GLN A 19 8.544 -5.550 7.213 1.00 0.00 C ATOM 234 CG GLN A 19 9.315 -6.265 8.311 1.00 0.00 C ATOM 235 CD GLN A 19 10.148 -5.317 9.150 1.00 0.00 C ATOM 236 OE1 GLN A 19 10.779 -4.398 8.628 1.00 0.00 O ATOM 237 NE2 GLN A 19 10.154 -5.535 10.461 1.00 0.00 N ATOM 0 H GLN A 19 9.506 -8.125 6.228 1.00 0.00 H new ATOM 0 HA GLN A 19 7.476 -6.159 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.021 -4.590 7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.537 -5.337 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.614 -6.795 8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.966 -7.016 7.863 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.616 -6.309 10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.696 -4.929 11.076 1.00 0.00 H new ATOM 246 N SER A 20 9.263 -4.737 4.279 1.00 0.00 N ATOM 247 CA SER A 20 10.204 -4.158 3.326 1.00 0.00 C ATOM 248 C SER A 20 9.838 -2.706 3.023 1.00 0.00 C ATOM 249 O SER A 20 8.669 -2.325 3.085 1.00 0.00 O ATOM 250 CB SER A 20 10.223 -4.975 2.034 1.00 0.00 C ATOM 251 OG SER A 20 11.548 -5.165 1.569 1.00 0.00 O ATOM 0 H SER A 20 8.399 -4.207 4.390 1.00 0.00 H new ATOM 0 HA SER A 20 11.199 -4.180 3.771 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.752 -5.943 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.636 -4.466 1.270 1.00 0.00 H new ATOM 0 HG SER A 20 11.532 -5.692 0.743 1.00 0.00 H new ATOM 257 N MET A 21 10.844 -1.902 2.697 1.00 0.00 N ATOM 258 CA MET A 21 10.628 -0.492 2.385 1.00 0.00 C ATOM 259 C MET A 21 10.528 -0.275 0.882 1.00 0.00 C ATOM 260 O MET A 21 10.985 -1.097 0.090 1.00 0.00 O ATOM 261 CB MET A 21 11.749 0.371 2.979 1.00 0.00 C ATOM 262 CG MET A 21 13.059 0.325 2.200 1.00 0.00 C ATOM 263 SD MET A 21 14.095 -1.079 2.657 1.00 0.00 S ATOM 264 CE MET A 21 13.796 -2.179 1.275 1.00 0.00 C ATOM 0 H MET A 21 11.817 -2.202 2.642 1.00 0.00 H new ATOM 0 HA MET A 21 9.683 -0.189 2.835 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.407 1.405 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.937 0.047 4.002 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.841 0.277 1.133 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.611 1.249 2.371 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.740 -2.611 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.121 -2.977 1.585 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.345 -1.620 0.456 1.00 0.00 H new ATOM 274 N VAL A 22 9.919 0.839 0.500 1.00 0.00 N ATOM 275 CA VAL A 22 9.747 1.166 -0.906 1.00 0.00 C ATOM 276 C VAL A 22 9.924 2.657 -1.157 1.00 0.00 C ATOM 277 O VAL A 22 10.032 3.450 -0.221 1.00 0.00 O ATOM 278 CB VAL A 22 8.354 0.747 -1.404 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.303 -0.747 -1.668 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.285 1.160 -0.404 1.00 0.00 C ATOM 0 H VAL A 22 9.536 1.530 1.145 1.00 0.00 H new ATOM 0 HA VAL A 22 10.513 0.616 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 22 8.156 1.260 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.308 -1.021 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.040 -1.008 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.524 -1.287 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.305 0.856 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.478 0.678 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.305 2.242 -0.277 1.00 0.00 H new ATOM 290 N THR A 23 9.946 3.029 -2.430 1.00 0.00 N ATOM 291 CA THR A 23 10.100 4.423 -2.824 1.00 0.00 C ATOM 292 C THR A 23 8.848 4.912 -3.546 1.00 0.00 C ATOM 293 O THR A 23 8.929 5.510 -4.619 1.00 0.00 O ATOM 294 CB THR A 23 11.320 4.584 -3.728 1.00 0.00 C ATOM 295 OG1 THR A 23 11.590 5.954 -3.970 1.00 0.00 O ATOM 296 CG2 THR A 23 11.153 3.903 -5.068 1.00 0.00 C ATOM 0 H THR A 23 9.859 2.380 -3.212 1.00 0.00 H new ATOM 0 HA THR A 23 10.244 5.023 -1.926 1.00 0.00 H new ATOM 0 HB THR A 23 12.145 4.112 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.376 6.035 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.052 4.052 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.991 2.836 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.296 4.330 -5.589 1.00 0.00 H new ATOM 304 N LEU A 24 7.693 4.643 -2.947 1.00 0.00 N ATOM 305 CA LEU A 24 6.404 5.038 -3.515 1.00 0.00 C ATOM 306 C LEU A 24 6.470 6.429 -4.147 1.00 0.00 C ATOM 307 O LEU A 24 6.925 7.385 -3.522 1.00 0.00 O ATOM 308 CB LEU A 24 5.322 5.006 -2.433 1.00 0.00 C ATOM 309 CG LEU A 24 4.013 4.330 -2.842 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.278 2.941 -3.401 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.059 4.257 -1.659 1.00 0.00 C ATOM 0 H LEU A 24 7.621 4.148 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 24 6.154 4.325 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.720 4.492 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.104 6.030 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 24 3.547 4.930 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.334 2.477 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.923 3.018 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.767 2.331 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.133 3.773 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.519 3.681 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.841 5.264 -1.304 1.00 0.00 H new ATOM 323 N LYS A 25 6.016 6.529 -5.393 1.00 0.00 N ATOM 324 CA LYS A 25 6.026 7.797 -6.111 1.00 0.00 C ATOM 325 C LYS A 25 4.993 8.760 -5.534 1.00 0.00 C ATOM 326 O LYS A 25 3.934 8.343 -5.067 1.00 0.00 O ATOM 327 CB LYS A 25 5.754 7.565 -7.600 1.00 0.00 C ATOM 328 CG LYS A 25 6.889 8.021 -8.504 1.00 0.00 C ATOM 329 CD LYS A 25 6.390 8.926 -9.620 1.00 0.00 C ATOM 330 CE LYS A 25 5.668 10.148 -9.070 1.00 0.00 C ATOM 331 NZ LYS A 25 6.213 11.415 -9.631 1.00 0.00 N ATOM 0 H LYS A 25 5.637 5.746 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 25 7.013 8.244 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.572 6.503 -7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.842 8.093 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.635 8.551 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.383 7.150 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.232 9.246 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.717 8.366 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.605 10.076 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.757 10.164 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.694 12.223 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.221 11.497 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.105 11.412 -10.665 1.00 0.00 H new ATOM 345 N SER A 26 5.309 10.052 -5.570 1.00 0.00 N ATOM 346 CA SER A 26 4.410 11.078 -5.051 1.00 0.00 C ATOM 347 C SER A 26 3.008 10.929 -5.636 1.00 0.00 C ATOM 348 O SER A 26 2.010 11.077 -4.929 1.00 0.00 O ATOM 349 CB SER A 26 4.961 12.472 -5.363 1.00 0.00 C ATOM 350 OG SER A 26 4.925 13.303 -4.217 1.00 0.00 O ATOM 0 H SER A 26 6.182 10.413 -5.954 1.00 0.00 H new ATOM 0 HA SER A 26 4.344 10.952 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.986 12.389 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.377 12.926 -6.164 1.00 0.00 H new ATOM 0 HG SER A 26 5.284 14.187 -4.442 1.00 0.00 H new ATOM 356 N SER A 27 2.941 10.631 -6.929 1.00 0.00 N ATOM 357 CA SER A 27 1.662 10.458 -7.608 1.00 0.00 C ATOM 358 C SER A 27 1.324 8.978 -7.752 1.00 0.00 C ATOM 359 O SER A 27 0.798 8.547 -8.777 1.00 0.00 O ATOM 360 CB SER A 27 1.699 11.122 -8.986 1.00 0.00 C ATOM 361 OG SER A 27 2.610 12.208 -9.005 1.00 0.00 O ATOM 0 H SER A 27 3.757 10.504 -7.528 1.00 0.00 H new ATOM 0 HA SER A 27 0.888 10.934 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.987 10.388 -9.739 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.702 11.475 -9.250 1.00 0.00 H new ATOM 0 HG SER A 27 2.616 12.614 -9.897 1.00 0.00 H new ATOM 367 N THR A 28 1.635 8.205 -6.717 1.00 0.00 N ATOM 368 CA THR A 28 1.369 6.771 -6.724 1.00 0.00 C ATOM 369 C THR A 28 -0.022 6.470 -6.176 1.00 0.00 C ATOM 370 O THR A 28 -0.250 6.535 -4.968 1.00 0.00 O ATOM 371 CB THR A 28 2.429 6.035 -5.899 1.00 0.00 C ATOM 372 OG1 THR A 28 3.666 6.002 -6.589 1.00 0.00 O ATOM 373 CG2 THR A 28 2.055 4.604 -5.565 1.00 0.00 C ATOM 0 H THR A 28 2.072 8.548 -5.862 1.00 0.00 H new ATOM 0 HA THR A 28 1.412 6.422 -7.756 1.00 0.00 H new ATOM 0 HB THR A 28 2.505 6.597 -4.968 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.931 5.071 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.853 4.147 -4.980 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.130 4.595 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.913 4.040 -6.487 1.00 0.00 H new ATOM 381 N THR A 29 -0.944 6.127 -7.069 1.00 0.00 N ATOM 382 CA THR A 29 -2.306 5.803 -6.669 1.00 0.00 C ATOM 383 C THR A 29 -2.381 4.369 -6.155 1.00 0.00 C ATOM 384 O THR A 29 -1.412 3.617 -6.252 1.00 0.00 O ATOM 385 CB THR A 29 -3.266 5.995 -7.845 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.582 5.599 -7.492 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.865 5.217 -9.080 1.00 0.00 C ATOM 0 H THR A 29 -0.772 6.067 -8.073 1.00 0.00 H new ATOM 0 HA THR A 29 -2.601 6.477 -5.865 1.00 0.00 H new ATOM 0 HB THR A 29 -3.225 7.059 -8.078 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.206 5.873 -8.196 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.588 5.398 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.877 5.539 -9.408 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.841 4.152 -8.847 1.00 0.00 H new ATOM 395 N PHE A 30 -3.534 3.995 -5.608 1.00 0.00 N ATOM 396 CA PHE A 30 -3.732 2.648 -5.076 1.00 0.00 C ATOM 397 C PHE A 30 -3.212 1.587 -6.043 1.00 0.00 C ATOM 398 O PHE A 30 -2.770 0.516 -5.627 1.00 0.00 O ATOM 399 CB PHE A 30 -5.213 2.407 -4.786 1.00 0.00 C ATOM 400 CG PHE A 30 -5.481 1.123 -4.053 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.005 0.932 -2.766 1.00 0.00 C ATOM 402 CD2 PHE A 30 -6.210 0.108 -4.653 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.251 -0.248 -2.089 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.458 -1.074 -3.982 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.978 -1.252 -2.698 1.00 0.00 C ATOM 0 H PHE A 30 -4.347 4.605 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.165 2.569 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.600 3.239 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.763 2.400 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.435 1.714 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.588 0.243 -5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.875 -0.384 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.026 -1.858 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.171 -2.175 -2.172 1.00 0.00 H new ATOM 415 N PHE A 31 -3.264 1.893 -7.335 1.00 0.00 N ATOM 416 CA PHE A 31 -2.793 0.968 -8.358 1.00 0.00 C ATOM 417 C PHE A 31 -1.269 0.916 -8.375 1.00 0.00 C ATOM 418 O PHE A 31 -0.674 -0.160 -8.324 1.00 0.00 O ATOM 419 CB PHE A 31 -3.314 1.384 -9.733 1.00 0.00 C ATOM 420 CG PHE A 31 -4.811 1.347 -9.846 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.502 0.159 -9.671 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.527 2.499 -10.129 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.880 0.121 -9.774 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.904 2.467 -10.234 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.581 1.276 -10.057 1.00 0.00 C ATOM 0 H PHE A 31 -3.628 2.774 -7.698 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.174 -0.025 -8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.966 2.393 -9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.885 0.726 -10.489 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.958 -0.748 -9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.003 3.433 -10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.407 -0.811 -9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.451 3.372 -10.454 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.657 1.249 -10.140 1.00 0.00 H new ATOM 435 N GLU A 32 -0.644 2.087 -8.442 1.00 0.00 N ATOM 436 CA GLU A 32 0.811 2.176 -8.461 1.00 0.00 C ATOM 437 C GLU A 32 1.404 1.547 -7.204 1.00 0.00 C ATOM 438 O GLU A 32 2.484 0.958 -7.242 1.00 0.00 O ATOM 439 CB GLU A 32 1.254 3.636 -8.574 1.00 0.00 C ATOM 440 CG GLU A 32 1.446 4.104 -10.009 1.00 0.00 C ATOM 441 CD GLU A 32 2.832 4.664 -10.260 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.796 4.163 -9.645 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.955 5.605 -11.073 1.00 0.00 O ATOM 0 H GLU A 32 -1.122 2.987 -8.484 1.00 0.00 H new ATOM 0 HA GLU A 32 1.175 1.628 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.512 4.271 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.189 3.767 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.268 3.269 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.703 4.867 -10.241 1.00 0.00 H new ATOM 450 N LEU A 33 0.684 1.673 -6.095 1.00 0.00 N ATOM 451 CA LEU A 33 1.133 1.113 -4.826 1.00 0.00 C ATOM 452 C LEU A 33 1.086 -0.410 -4.868 1.00 0.00 C ATOM 453 O LEU A 33 2.021 -1.082 -4.433 1.00 0.00 O ATOM 454 CB LEU A 33 0.266 1.637 -3.678 1.00 0.00 C ATOM 455 CG LEU A 33 0.471 0.938 -2.331 1.00 0.00 C ATOM 456 CD1 LEU A 33 1.947 0.907 -1.961 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.337 1.631 -1.244 1.00 0.00 C ATOM 0 H LEU A 33 -0.212 2.158 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 33 2.164 1.424 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.465 2.701 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.782 1.541 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 33 0.120 -0.090 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.071 0.406 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.503 0.366 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.326 1.927 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.180 1.122 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.015 2.669 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.396 1.600 -1.502 1.00 0.00 H new ATOM 469 N GLN A 34 -0.007 -0.949 -5.399 1.00 0.00 N ATOM 470 CA GLN A 34 -0.172 -2.394 -5.504 1.00 0.00 C ATOM 471 C GLN A 34 0.935 -3.003 -6.357 1.00 0.00 C ATOM 472 O GLN A 34 1.298 -4.168 -6.183 1.00 0.00 O ATOM 473 CB GLN A 34 -1.539 -2.731 -6.101 1.00 0.00 C ATOM 474 CG GLN A 34 -2.707 -2.205 -5.283 1.00 0.00 C ATOM 475 CD GLN A 34 -3.382 -3.288 -4.465 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.606 -3.415 -4.470 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.582 -4.076 -3.756 1.00 0.00 N ATOM 0 H GLN A 34 -0.791 -0.407 -5.763 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.110 -2.818 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.597 -2.319 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.629 -3.813 -6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.353 -1.419 -4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.438 -1.751 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.572 -3.934 -3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.977 -4.823 -3.185 1.00 0.00 H new ATOM 486 N GLU A 35 1.471 -2.208 -7.277 1.00 0.00 N ATOM 487 CA GLU A 35 2.539 -2.667 -8.156 1.00 0.00 C ATOM 488 C GLU A 35 3.900 -2.534 -7.478 1.00 0.00 C ATOM 489 O GLU A 35 4.844 -3.244 -7.822 1.00 0.00 O ATOM 490 CB GLU A 35 2.528 -1.871 -9.462 1.00 0.00 C ATOM 491 CG GLU A 35 3.594 -2.314 -10.453 1.00 0.00 C ATOM 492 CD GLU A 35 3.039 -2.531 -11.848 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.251 -3.481 -12.033 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.396 -1.750 -12.756 1.00 0.00 O ATOM 0 H GLU A 35 1.183 -1.242 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 35 2.366 -3.720 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.548 -1.967 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.671 -0.814 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.383 -1.563 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.051 -3.238 -10.100 1.00 0.00 H new ATOM 501 N SER A 36 3.993 -1.622 -6.514 1.00 0.00 N ATOM 502 CA SER A 36 5.241 -1.397 -5.790 1.00 0.00 C ATOM 503 C SER A 36 5.541 -2.560 -4.849 1.00 0.00 C ATOM 504 O SER A 36 6.655 -3.083 -4.828 1.00 0.00 O ATOM 505 CB SER A 36 5.168 -0.088 -5.001 1.00 0.00 C ATOM 506 OG SER A 36 6.211 0.794 -5.380 1.00 0.00 O ATOM 0 H SER A 36 3.220 -1.027 -6.216 1.00 0.00 H new ATOM 0 HA SER A 36 6.049 -1.327 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.203 0.390 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.235 -0.299 -3.934 1.00 0.00 H new ATOM 0 HG SER A 36 6.455 1.359 -4.617 1.00 0.00 H new ATOM 512 N ILE A 37 4.541 -2.961 -4.071 1.00 0.00 N ATOM 513 CA ILE A 37 4.702 -4.066 -3.134 1.00 0.00 C ATOM 514 C ILE A 37 5.091 -5.342 -3.867 1.00 0.00 C ATOM 515 O ILE A 37 5.919 -6.118 -3.390 1.00 0.00 O ATOM 516 CB ILE A 37 3.407 -4.319 -2.336 1.00 0.00 C ATOM 517 CG1 ILE A 37 2.923 -3.023 -1.680 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.629 -5.402 -1.291 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.533 -2.609 -2.114 1.00 0.00 C ATOM 0 H ILE A 37 3.613 -2.538 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 37 5.496 -3.787 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 37 2.636 -4.663 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.935 -3.147 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.623 -2.222 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.705 -5.568 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.928 -6.327 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.413 -5.088 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.255 -1.683 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.520 -2.453 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.822 -3.392 -1.852 1.00 0.00 H new ATOM 531 N ALA A 38 4.493 -5.547 -5.035 1.00 0.00 N ATOM 532 CA ALA A 38 4.780 -6.725 -5.843 1.00 0.00 C ATOM 533 C ALA A 38 6.261 -6.794 -6.209 1.00 0.00 C ATOM 534 O ALA A 38 6.765 -7.851 -6.589 1.00 0.00 O ATOM 535 CB ALA A 38 3.924 -6.721 -7.099 1.00 0.00 C ATOM 0 H ALA A 38 3.807 -4.912 -5.443 1.00 0.00 H new ATOM 0 HA ALA A 38 4.538 -7.609 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.148 -7.606 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.870 -6.727 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.140 -5.827 -7.683 1.00 0.00 H new ATOM 541 N ARG A 39 6.956 -5.664 -6.092 1.00 0.00 N ATOM 542 CA ARG A 39 8.378 -5.606 -6.412 1.00 0.00 C ATOM 543 C ARG A 39 9.223 -5.891 -5.176 1.00 0.00 C ATOM 544 O ARG A 39 10.219 -6.611 -5.244 1.00 0.00 O ATOM 545 CB ARG A 39 8.750 -4.232 -6.980 1.00 0.00 C ATOM 546 CG ARG A 39 7.619 -3.541 -7.724 1.00 0.00 C ATOM 547 CD ARG A 39 8.114 -2.317 -8.475 1.00 0.00 C ATOM 548 NE ARG A 39 7.017 -1.430 -8.859 1.00 0.00 N ATOM 549 CZ ARG A 39 7.178 -0.147 -9.175 1.00 0.00 C ATOM 550 NH1 ARG A 39 8.385 0.404 -9.155 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.126 0.588 -9.513 1.00 0.00 N ATOM 0 H ARG A 39 6.557 -4.779 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 39 8.580 -6.369 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.079 -3.590 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.598 -4.347 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.163 -4.240 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.843 -3.247 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.821 -1.770 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.654 -2.633 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 39 6.074 -1.817 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.197 -0.156 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.501 1.388 -9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.196 0.170 -9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.248 1.571 -9.755 1.00 0.00 H new ATOM 565 N GLU A 40 8.820 -5.313 -4.051 1.00 0.00 N ATOM 566 CA GLU A 40 9.542 -5.492 -2.797 1.00 0.00 C ATOM 567 C GLU A 40 9.328 -6.890 -2.224 1.00 0.00 C ATOM 568 O GLU A 40 10.173 -7.404 -1.492 1.00 0.00 O ATOM 569 CB GLU A 40 9.103 -4.435 -1.781 1.00 0.00 C ATOM 570 CG GLU A 40 10.214 -3.476 -1.388 1.00 0.00 C ATOM 571 CD GLU A 40 10.742 -2.678 -2.565 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.777 -3.224 -3.687 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.121 -1.505 -2.363 1.00 0.00 O ATOM 0 H GLU A 40 7.996 -4.716 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 40 10.606 -5.374 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.272 -3.865 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.731 -4.934 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.844 -2.790 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.033 -4.039 -0.939 1.00 0.00 H new ATOM 580 N PHE A 41 8.193 -7.499 -2.551 1.00 0.00 N ATOM 581 CA PHE A 41 7.877 -8.834 -2.057 1.00 0.00 C ATOM 582 C PHE A 41 7.561 -9.787 -3.205 1.00 0.00 C ATOM 583 O PHE A 41 7.733 -9.444 -4.375 1.00 0.00 O ATOM 584 CB PHE A 41 6.702 -8.767 -1.082 1.00 0.00 C ATOM 585 CG PHE A 41 6.903 -7.761 0.014 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.552 -6.434 -0.174 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.447 -8.140 1.231 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.740 -5.504 0.831 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.637 -7.214 2.239 1.00 0.00 C ATOM 590 CZ PHE A 41 7.283 -5.895 2.039 1.00 0.00 C ATOM 0 H PHE A 41 7.479 -7.091 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 41 8.752 -9.220 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.794 -8.519 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.548 -9.751 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.127 -6.123 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.726 -9.171 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.463 -4.472 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.062 -7.522 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.430 -5.170 2.826 1.00 0.00 H new ATOM 600 N ASN A 42 7.104 -10.988 -2.862 1.00 0.00 N ATOM 601 CA ASN A 42 6.775 -11.994 -3.865 1.00 0.00 C ATOM 602 C ASN A 42 5.267 -12.219 -3.954 1.00 0.00 C ATOM 603 O ASN A 42 4.801 -13.359 -3.966 1.00 0.00 O ATOM 604 CB ASN A 42 7.481 -13.312 -3.542 1.00 0.00 C ATOM 605 CG ASN A 42 8.950 -13.118 -3.218 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.445 -13.613 -2.206 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.655 -12.393 -4.079 1.00 0.00 N ATOM 0 H ASN A 42 6.954 -11.287 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 42 7.120 -11.627 -4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.985 -13.789 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.385 -13.989 -4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.648 -12.228 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.204 -12.001 -4.906 1.00 0.00 H new ATOM 614 N ILE A 43 4.510 -11.131 -4.025 1.00 0.00 N ATOM 615 CA ILE A 43 3.060 -11.218 -4.125 1.00 0.00 C ATOM 616 C ILE A 43 2.535 -10.299 -5.227 1.00 0.00 C ATOM 617 O ILE A 43 2.948 -9.146 -5.336 1.00 0.00 O ATOM 618 CB ILE A 43 2.373 -10.858 -2.795 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.981 -11.665 -1.648 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.874 -11.109 -2.887 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.907 -10.856 -0.771 1.00 0.00 C ATOM 0 H ILE A 43 4.877 -10.179 -4.015 1.00 0.00 H new ATOM 0 HA ILE A 43 2.822 -12.253 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 43 2.534 -9.798 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.178 -12.074 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.530 -12.512 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.403 -10.850 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.451 -10.496 -3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.694 -12.162 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.303 -11.490 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.730 -10.469 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.357 -10.025 -0.330 1.00 0.00 H new ATOM 633 N PRO A 44 1.615 -10.805 -6.063 1.00 0.00 N ATOM 634 CA PRO A 44 1.035 -10.031 -7.163 1.00 0.00 C ATOM 635 C PRO A 44 0.078 -8.946 -6.675 1.00 0.00 C ATOM 636 O PRO A 44 -0.308 -8.927 -5.508 1.00 0.00 O ATOM 637 CB PRO A 44 0.283 -11.084 -7.978 1.00 0.00 C ATOM 638 CG PRO A 44 -0.053 -12.154 -6.998 1.00 0.00 C ATOM 639 CD PRO A 44 1.073 -12.173 -5.999 1.00 0.00 C ATOM 0 HA PRO A 44 1.797 -9.497 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.616 -10.666 -8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.899 -11.470 -8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.005 -11.949 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.151 -13.120 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.717 -12.417 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.827 -12.916 -6.259 1.00 0.00 H new ATOM 647 N PRO A 45 -0.317 -8.024 -7.569 1.00 0.00 N ATOM 648 CA PRO A 45 -1.229 -6.927 -7.225 1.00 0.00 C ATOM 649 C PRO A 45 -2.642 -7.410 -6.903 1.00 0.00 C ATOM 650 O PRO A 45 -3.411 -6.702 -6.253 1.00 0.00 O ATOM 651 CB PRO A 45 -1.238 -6.059 -8.486 1.00 0.00 C ATOM 652 CG PRO A 45 -0.856 -6.985 -9.589 1.00 0.00 C ATOM 653 CD PRO A 45 0.098 -7.974 -8.983 1.00 0.00 C ATOM 0 HA PRO A 45 -0.902 -6.401 -6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.222 -5.623 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.533 -5.232 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.732 -7.488 -9.998 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.387 -6.442 -10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.021 -8.951 -9.460 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.133 -7.650 -9.087 1.00 0.00 H new ATOM 661 N TYR A 46 -2.982 -8.611 -7.359 1.00 0.00 N ATOM 662 CA TYR A 46 -4.309 -9.167 -7.112 1.00 0.00 C ATOM 663 C TYR A 46 -4.326 -10.049 -5.862 1.00 0.00 C ATOM 664 O TYR A 46 -5.309 -10.744 -5.600 1.00 0.00 O ATOM 665 CB TYR A 46 -4.792 -9.964 -8.327 1.00 0.00 C ATOM 666 CG TYR A 46 -4.019 -11.242 -8.572 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.829 -11.229 -9.288 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.482 -12.459 -8.090 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.122 -12.395 -9.516 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.781 -13.629 -8.314 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.601 -13.592 -9.027 1.00 0.00 C ATOM 672 OH TYR A 46 -1.900 -14.754 -9.252 1.00 0.00 O ATOM 0 H TYR A 46 -2.362 -9.215 -7.898 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.988 -8.332 -6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.846 -10.209 -8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.722 -9.334 -9.213 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.450 -10.294 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.405 -12.492 -7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.198 -12.368 -10.075 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.155 -14.567 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.373 -15.507 -8.840 1.00 0.00 H new ATOM 682 N LEU A 47 -3.243 -10.013 -5.089 1.00 0.00 N ATOM 683 CA LEU A 47 -3.151 -10.807 -3.867 1.00 0.00 C ATOM 684 C LEU A 47 -2.525 -10.003 -2.727 1.00 0.00 C ATOM 685 O LEU A 47 -2.242 -10.550 -1.661 1.00 0.00 O ATOM 686 CB LEU A 47 -2.325 -12.073 -4.109 1.00 0.00 C ATOM 687 CG LEU A 47 -2.929 -13.071 -5.099 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.949 -14.201 -5.382 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.238 -13.625 -4.564 1.00 0.00 C ATOM 0 H LEU A 47 -2.420 -9.444 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.166 -11.085 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.339 -11.780 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.177 -12.578 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.132 -12.548 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.395 -14.901 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.033 -13.790 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.716 -14.721 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.654 -14.333 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.058 -14.132 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.943 -12.808 -4.411 1.00 0.00 H new ATOM 701 N GLN A 48 -2.305 -8.710 -2.950 1.00 0.00 N ATOM 702 CA GLN A 48 -1.709 -7.857 -1.928 1.00 0.00 C ATOM 703 C GLN A 48 -2.730 -6.881 -1.358 1.00 0.00 C ATOM 704 O GLN A 48 -3.174 -5.961 -2.043 1.00 0.00 O ATOM 705 CB GLN A 48 -0.522 -7.084 -2.507 1.00 0.00 C ATOM 706 CG GLN A 48 0.680 -7.961 -2.817 1.00 0.00 C ATOM 707 CD GLN A 48 1.785 -7.212 -3.537 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.952 -7.283 -3.151 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.425 -6.489 -4.591 1.00 0.00 N ATOM 0 H GLN A 48 -2.529 -8.233 -3.823 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.361 -8.500 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.838 -6.579 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.224 -6.309 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.073 -8.373 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.360 -8.804 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.447 -6.457 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.127 -5.965 -5.114 1.00 0.00 H new ATOM 718 N CYS A 49 -3.084 -7.080 -0.094 1.00 0.00 N ATOM 719 CA CYS A 49 -4.038 -6.208 0.577 1.00 0.00 C ATOM 720 C CYS A 49 -3.309 -5.301 1.561 1.00 0.00 C ATOM 721 O CYS A 49 -2.867 -5.749 2.620 1.00 0.00 O ATOM 722 CB CYS A 49 -5.104 -7.036 1.299 1.00 0.00 C ATOM 723 SG CYS A 49 -6.292 -6.055 2.247 1.00 0.00 S ATOM 0 H CYS A 49 -2.724 -7.838 0.486 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.535 -5.589 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.646 -7.630 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.609 -7.736 1.972 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.151 -6.846 2.817 1.00 0.00 H new ATOM 729 N ILE A 50 -3.171 -4.030 1.191 1.00 0.00 N ATOM 730 CA ILE A 50 -2.478 -3.051 2.024 1.00 0.00 C ATOM 731 C ILE A 50 -3.348 -2.569 3.180 1.00 0.00 C ATOM 732 O ILE A 50 -4.576 -2.600 3.105 1.00 0.00 O ATOM 733 CB ILE A 50 -2.034 -1.830 1.194 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.267 -2.281 -0.051 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.182 -0.893 2.037 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.710 -1.585 -1.320 1.00 0.00 C ATOM 0 H ILE A 50 -3.532 -3.653 0.315 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.602 -3.557 2.430 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.924 -1.288 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.203 -2.098 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.391 -3.357 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.878 -0.037 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.760 -0.547 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.296 -1.423 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.123 -1.954 -2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.766 -1.789 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.560 -0.510 -1.217 1.00 0.00 H new ATOM 748 N ARG A 51 -2.692 -2.116 4.244 1.00 0.00 N ATOM 749 CA ARG A 51 -3.385 -1.613 5.423 1.00 0.00 C ATOM 750 C ARG A 51 -2.583 -0.494 6.078 1.00 0.00 C ATOM 751 O ARG A 51 -1.353 -0.477 6.009 1.00 0.00 O ATOM 752 CB ARG A 51 -3.616 -2.744 6.427 1.00 0.00 C ATOM 753 CG ARG A 51 -4.530 -3.842 5.909 1.00 0.00 C ATOM 754 CD ARG A 51 -5.487 -4.324 6.988 1.00 0.00 C ATOM 755 NE ARG A 51 -6.432 -5.315 6.480 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.135 -6.600 6.301 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.920 -7.053 6.586 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.055 -7.435 5.837 1.00 0.00 N ATOM 0 H ARG A 51 -1.675 -2.087 4.313 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.350 -1.215 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.654 -3.181 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.044 -2.327 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.098 -3.472 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.930 -4.679 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.917 -4.755 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.036 -3.473 7.392 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.375 -5.004 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.209 -6.415 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.698 -8.039 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.990 -7.092 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.827 -8.420 5.700 1.00 0.00 H new ATOM 772 N TYR A 52 -3.281 0.443 6.713 1.00 0.00 N ATOM 773 CA TYR A 52 -2.624 1.564 7.376 1.00 0.00 C ATOM 774 C TYR A 52 -3.445 2.060 8.562 1.00 0.00 C ATOM 775 O TYR A 52 -4.629 1.746 8.686 1.00 0.00 O ATOM 776 CB TYR A 52 -2.397 2.707 6.385 1.00 0.00 C ATOM 777 CG TYR A 52 -3.676 3.315 5.854 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.472 2.626 4.948 1.00 0.00 C ATOM 779 CD2 TYR A 52 -4.086 4.580 6.258 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.641 3.179 4.459 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.253 5.140 5.775 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.026 4.436 4.875 1.00 0.00 C ATOM 783 OH TYR A 52 -7.189 4.990 4.391 1.00 0.00 O ATOM 0 H TYR A 52 -4.299 0.448 6.782 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.661 1.216 7.748 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.809 3.486 6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.806 2.338 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.173 1.642 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.482 5.134 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.249 2.630 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.558 6.124 6.100 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.316 5.879 4.784 1.00 0.00 H new ATOM 793 N GLY A 53 -2.806 2.839 9.429 1.00 0.00 N ATOM 794 CA GLY A 53 -3.489 3.370 10.594 1.00 0.00 C ATOM 795 C GLY A 53 -3.912 2.287 11.567 1.00 0.00 C ATOM 796 O GLY A 53 -3.748 1.099 11.294 1.00 0.00 O ATOM 0 H GLY A 53 -1.827 3.112 9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.834 4.076 11.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.369 3.927 10.272 1.00 0.00 H new ATOM 800 N PHE A 54 -4.461 2.701 12.704 1.00 0.00 N ATOM 801 CA PHE A 54 -4.912 1.761 13.723 1.00 0.00 C ATOM 802 C PHE A 54 -6.340 2.088 14.164 1.00 0.00 C ATOM 803 O PHE A 54 -6.610 3.198 14.625 1.00 0.00 O ATOM 804 CB PHE A 54 -3.971 1.799 14.931 1.00 0.00 C ATOM 805 CG PHE A 54 -3.571 0.436 15.422 1.00 0.00 C ATOM 806 CD1 PHE A 54 -4.472 -0.355 16.117 1.00 0.00 C ATOM 807 CD2 PHE A 54 -2.295 -0.051 15.191 1.00 0.00 C ATOM 808 CE1 PHE A 54 -4.108 -1.609 16.570 1.00 0.00 C ATOM 809 CE2 PHE A 54 -1.925 -1.304 15.642 1.00 0.00 C ATOM 810 CZ PHE A 54 -2.833 -2.084 16.332 1.00 0.00 C ATOM 0 H PHE A 54 -4.604 3.682 12.943 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.901 0.759 13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.074 2.359 14.665 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.456 2.341 15.743 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.470 0.013 16.307 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.581 0.555 14.653 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.820 -2.217 17.109 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.927 -1.673 15.455 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.546 -3.064 16.685 1.00 0.00 H new ATOM 820 N PRO A 55 -7.284 1.133 14.030 1.00 0.00 N ATOM 821 CA PRO A 55 -7.021 -0.207 13.488 1.00 0.00 C ATOM 822 C PRO A 55 -6.687 -0.176 11.996 1.00 0.00 C ATOM 823 O PRO A 55 -7.231 0.635 11.248 1.00 0.00 O ATOM 824 CB PRO A 55 -8.336 -0.968 13.723 1.00 0.00 C ATOM 825 CG PRO A 55 -9.126 -0.121 14.664 1.00 0.00 C ATOM 826 CD PRO A 55 -8.693 1.292 14.407 1.00 0.00 C ATOM 0 HA PRO A 55 -6.158 -0.669 13.968 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.873 -1.120 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.148 -1.954 14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.196 -0.239 14.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.936 -0.406 15.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.275 1.756 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.807 1.918 15.292 1.00 0.00 H new ATOM 834 N PRO A 56 -5.783 -1.065 11.545 1.00 0.00 N ATOM 835 CA PRO A 56 -5.378 -1.137 10.140 1.00 0.00 C ATOM 836 C PRO A 56 -6.567 -1.181 9.192 1.00 0.00 C ATOM 837 O PRO A 56 -7.462 -2.015 9.333 1.00 0.00 O ATOM 838 CB PRO A 56 -4.586 -2.442 10.063 1.00 0.00 C ATOM 839 CG PRO A 56 -4.051 -2.637 11.438 1.00 0.00 C ATOM 840 CD PRO A 56 -5.086 -2.067 12.369 1.00 0.00 C ATOM 0 HA PRO A 56 -4.808 -0.258 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.222 -3.275 9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.782 -2.375 9.330 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.880 -3.694 11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.094 -2.129 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.770 -2.837 12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.628 -1.614 13.248 1.00 0.00 H new ATOM 848 N LYS A 57 -6.563 -0.276 8.226 1.00 0.00 N ATOM 849 CA LYS A 57 -7.634 -0.197 7.239 1.00 0.00 C ATOM 850 C LYS A 57 -7.332 -1.097 6.045 1.00 0.00 C ATOM 851 O LYS A 57 -6.272 -1.716 5.977 1.00 0.00 O ATOM 852 CB LYS A 57 -7.820 1.246 6.771 1.00 0.00 C ATOM 853 CG LYS A 57 -8.509 2.135 7.794 1.00 0.00 C ATOM 854 CD LYS A 57 -8.160 3.602 7.586 1.00 0.00 C ATOM 855 CE LYS A 57 -9.408 4.452 7.402 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.084 5.903 7.327 1.00 0.00 N ATOM 0 H LYS A 57 -5.827 0.419 8.102 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.557 -0.538 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.845 1.670 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.403 1.248 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.589 2.004 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.216 1.829 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.593 3.967 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.517 3.704 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.924 4.147 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.093 4.275 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.961 6.448 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.614 6.200 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.450 6.076 6.521 1.00 0.00 H new ATOM 870 N GLU A 58 -8.272 -1.172 5.110 1.00 0.00 N ATOM 871 CA GLU A 58 -8.103 -2.003 3.923 1.00 0.00 C ATOM 872 C GLU A 58 -7.644 -1.178 2.721 1.00 0.00 C ATOM 873 O GLU A 58 -7.329 -1.730 1.667 1.00 0.00 O ATOM 874 CB GLU A 58 -9.411 -2.723 3.590 1.00 0.00 C ATOM 875 CG GLU A 58 -9.256 -3.810 2.539 1.00 0.00 C ATOM 876 CD GLU A 58 -10.115 -5.026 2.829 1.00 0.00 C ATOM 877 OE1 GLU A 58 -9.823 -5.738 3.811 1.00 0.00 O ATOM 878 OE2 GLU A 58 -11.079 -5.265 2.072 1.00 0.00 O ATOM 0 H GLU A 58 -9.158 -0.668 5.150 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.330 -2.739 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.815 -3.165 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.140 -1.992 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.522 -3.406 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.210 -4.112 2.485 1.00 0.00 H new ATOM 885 N LEU A 59 -7.611 0.145 2.878 1.00 0.00 N ATOM 886 CA LEU A 59 -7.194 1.035 1.798 1.00 0.00 C ATOM 887 C LEU A 59 -7.939 0.709 0.507 1.00 0.00 C ATOM 888 O LEU A 59 -7.391 0.080 -0.399 1.00 0.00 O ATOM 889 CB LEU A 59 -5.683 0.927 1.578 1.00 0.00 C ATOM 890 CG LEU A 59 -5.081 1.972 0.633 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.656 3.352 0.916 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.565 1.991 0.762 1.00 0.00 C ATOM 0 H LEU A 59 -7.868 0.622 3.742 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.438 2.058 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.185 1.006 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.460 -0.065 1.185 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.341 1.698 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.214 4.077 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.737 3.332 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.430 3.637 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.152 2.738 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.290 2.239 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.166 1.009 0.507 1.00 0.00 H new ATOM 904 N MET A 60 -9.194 1.137 0.435 1.00 0.00 N ATOM 905 CA MET A 60 -10.024 0.889 -0.739 1.00 0.00 C ATOM 906 C MET A 60 -9.440 1.558 -1.979 1.00 0.00 C ATOM 907 O MET A 60 -8.736 2.563 -1.882 1.00 0.00 O ATOM 908 CB MET A 60 -11.448 1.395 -0.497 1.00 0.00 C ATOM 909 CG MET A 60 -11.519 2.876 -0.166 1.00 0.00 C ATOM 910 SD MET A 60 -13.136 3.372 0.457 1.00 0.00 S ATOM 911 CE MET A 60 -12.724 4.907 1.285 1.00 0.00 C ATOM 0 H MET A 60 -9.660 1.659 1.177 1.00 0.00 H new ATOM 0 HA MET A 60 -10.048 -0.187 -0.911 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.050 1.200 -1.385 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.893 0.827 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.759 3.115 0.578 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.285 3.455 -1.059 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.625 5.337 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.995 4.712 2.072 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.301 5.607 0.564 1.00 0.00 H new ATOM 921 N PRO A 61 -9.727 1.003 -3.169 1.00 0.00 N ATOM 922 CA PRO A 61 -9.232 1.545 -4.435 1.00 0.00 C ATOM 923 C PRO A 61 -9.997 2.788 -4.873 1.00 0.00 C ATOM 924 O PRO A 61 -11.193 2.918 -4.609 1.00 0.00 O ATOM 925 CB PRO A 61 -9.466 0.399 -5.418 1.00 0.00 C ATOM 926 CG PRO A 61 -10.644 -0.329 -4.871 1.00 0.00 C ATOM 927 CD PRO A 61 -10.561 -0.200 -3.371 1.00 0.00 C ATOM 0 HA PRO A 61 -8.192 1.864 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.662 0.772 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.594 -0.251 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.574 0.097 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.629 -1.376 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.548 -0.083 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.108 -1.082 -2.918 1.00 0.00 H new ATOM 935 N PRO A 62 -9.313 3.723 -5.554 1.00 0.00 N ATOM 936 CA PRO A 62 -9.933 4.962 -6.031 1.00 0.00 C ATOM 937 C PRO A 62 -11.018 4.703 -7.071 1.00 0.00 C ATOM 938 O PRO A 62 -11.388 3.556 -7.325 1.00 0.00 O ATOM 939 CB PRO A 62 -8.767 5.733 -6.656 1.00 0.00 C ATOM 940 CG PRO A 62 -7.740 4.701 -6.967 1.00 0.00 C ATOM 941 CD PRO A 62 -7.887 3.644 -5.912 1.00 0.00 C ATOM 0 HA PRO A 62 -10.432 5.501 -5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.081 6.260 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.376 6.483 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.894 4.284 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.738 5.130 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.621 2.657 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.245 3.840 -5.053 1.00 0.00 H new ATOM 949 N GLN A 63 -11.527 5.775 -7.667 1.00 0.00 N ATOM 950 CA GLN A 63 -12.572 5.666 -8.679 1.00 0.00 C ATOM 951 C GLN A 63 -12.375 6.709 -9.777 1.00 0.00 C ATOM 952 O GLN A 63 -11.326 7.348 -9.856 1.00 0.00 O ATOM 953 CB GLN A 63 -13.951 5.833 -8.035 1.00 0.00 C ATOM 954 CG GLN A 63 -14.196 7.223 -7.470 1.00 0.00 C ATOM 955 CD GLN A 63 -15.005 8.098 -8.408 1.00 0.00 C ATOM 956 OE1 GLN A 63 -15.809 7.603 -9.198 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.796 9.407 -8.323 1.00 0.00 N ATOM 0 H GLN A 63 -11.233 6.731 -7.467 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.509 4.676 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.718 5.611 -8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.060 5.101 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.719 7.137 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.239 7.703 -7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.119 9.773 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.312 10.046 -8.928 1.00 0.00 H new ATOM 966 N ALA A 64 -13.388 6.876 -10.623 1.00 0.00 N ATOM 967 CA ALA A 64 -13.323 7.841 -11.715 1.00 0.00 C ATOM 968 C ALA A 64 -12.933 9.226 -11.205 1.00 0.00 C ATOM 969 O ALA A 64 -13.755 9.944 -10.637 1.00 0.00 O ATOM 970 CB ALA A 64 -14.657 7.903 -12.445 1.00 0.00 C ATOM 0 H ALA A 64 -14.264 6.355 -10.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.553 7.510 -12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.594 8.627 -13.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.895 6.920 -12.852 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.439 8.206 -11.749 1.00 0.00 H new ATOM 976 N GLY A 65 -11.673 9.591 -11.410 1.00 0.00 N ATOM 977 CA GLY A 65 -11.192 10.885 -10.962 1.00 0.00 C ATOM 978 C GLY A 65 -10.201 10.768 -9.821 1.00 0.00 C ATOM 979 O GLY A 65 -9.338 11.629 -9.647 1.00 0.00 O ATOM 0 H GLY A 65 -10.975 9.014 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.721 11.404 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.038 11.494 -10.644 1.00 0.00 H new ATOM 983 N MET A 66 -10.325 9.699 -9.041 1.00 0.00 N ATOM 984 CA MET A 66 -9.435 9.470 -7.909 1.00 0.00 C ATOM 985 C MET A 66 -8.300 8.518 -8.287 1.00 0.00 C ATOM 986 O MET A 66 -7.253 8.501 -7.641 1.00 0.00 O ATOM 987 CB MET A 66 -10.220 8.904 -6.722 1.00 0.00 C ATOM 988 CG MET A 66 -10.376 9.887 -5.573 1.00 0.00 C ATOM 989 SD MET A 66 -8.851 10.101 -4.634 1.00 0.00 S ATOM 990 CE MET A 66 -9.250 11.557 -3.671 1.00 0.00 C ATOM 0 H MET A 66 -11.034 8.977 -9.172 1.00 0.00 H new ATOM 0 HA MET A 66 -8.999 10.427 -7.624 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.209 8.597 -7.064 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.717 8.009 -6.358 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.695 10.852 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.164 9.538 -4.905 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.424 11.786 -2.998 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.418 12.401 -4.340 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.152 11.372 -3.088 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.515 7.728 -9.336 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.508 6.776 -9.796 1.00 0.00 C ATOM 1002 C GLU A 67 -6.169 7.467 -10.038 1.00 0.00 C ATOM 1003 O GLU A 67 -5.110 6.850 -9.922 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.976 6.085 -11.078 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.299 7.051 -12.206 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.717 6.341 -13.479 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -8.252 5.204 -13.705 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.509 6.922 -14.250 1.00 0.00 O ATOM 0 H GLU A 67 -9.376 7.728 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.373 6.028 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.202 5.395 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.861 5.488 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.098 7.721 -11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.426 7.671 -12.410 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.224 8.751 -10.375 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.017 9.527 -10.633 1.00 0.00 C ATOM 1017 C LYS A 68 -4.406 10.043 -9.331 1.00 0.00 C ATOM 1018 O LYS A 68 -3.218 10.358 -9.276 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.328 10.700 -11.563 1.00 0.00 C ATOM 1020 CG LYS A 68 -5.898 10.276 -12.907 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.825 11.336 -13.480 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.145 11.389 -12.727 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.867 10.086 -12.772 1.00 0.00 N ATOM 0 H LYS A 68 -7.092 9.277 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.293 8.870 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.037 11.365 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.416 11.273 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.083 10.088 -13.606 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.442 9.339 -12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.339 12.310 -13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.014 11.125 -14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.959 11.665 -11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.776 12.168 -13.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.831 10.236 -13.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.361 9.430 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.913 9.682 -11.815 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.225 10.129 -8.286 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.757 10.608 -6.990 1.00 0.00 C ATOM 1039 C GLU A 69 -3.828 9.589 -6.335 1.00 0.00 C ATOM 1040 O GLU A 69 -4.018 8.382 -6.477 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.945 10.898 -6.070 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.499 12.306 -6.219 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.132 13.203 -5.053 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -4.945 13.573 -4.940 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.033 13.535 -4.253 1.00 0.00 O ATOM 0 H GLU A 69 -6.212 9.874 -8.312 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.198 11.530 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.739 10.180 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.639 10.744 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.122 12.745 -7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.584 12.258 -6.308 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.803 10.065 -5.606 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.841 9.190 -4.931 1.00 0.00 C ATOM 1054 C PRO A 70 -2.408 8.560 -3.664 1.00 0.00 C ATOM 1055 O PRO A 70 -3.480 8.939 -3.194 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.693 10.138 -4.589 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.345 11.466 -4.418 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.499 11.493 -5.385 1.00 0.00 C ATOM 0 HA PRO A 70 -1.550 8.345 -5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.180 9.828 -3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.053 10.161 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.692 11.601 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.644 12.274 -4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.356 12.026 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.231 11.994 -6.315 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.676 7.595 -3.118 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.096 6.903 -1.906 1.00 0.00 C ATOM 1068 C VAL A 71 -2.154 7.860 -0.715 1.00 0.00 C ATOM 1069 O VAL A 71 -1.574 8.945 -0.753 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.149 5.734 -1.569 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.456 4.532 -2.448 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.304 6.155 -1.719 1.00 0.00 C ATOM 0 H VAL A 71 -0.786 7.274 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.094 6.508 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.311 5.450 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.779 3.716 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.485 4.214 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.325 4.804 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.953 5.314 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.487 6.470 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.515 6.983 -1.042 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.861 7.468 0.361 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.997 8.295 1.569 1.00 0.00 C ATOM 1084 C PRO A 72 -1.734 8.308 2.427 1.00 0.00 C ATOM 1085 O PRO A 72 -1.710 8.907 3.501 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.129 7.602 2.327 1.00 0.00 C ATOM 1087 CG PRO A 72 -4.013 6.174 1.929 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.590 6.189 0.487 1.00 0.00 C ATOM 0 HA PRO A 72 -3.183 9.341 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.021 7.725 3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.101 8.014 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.281 5.653 2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.963 5.654 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.954 5.338 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.448 6.147 -0.184 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.692 7.631 1.956 1.00 0.00 N ATOM 1097 CA LEU A 73 0.565 7.552 2.690 1.00 0.00 C ATOM 1098 C LEU A 73 1.610 8.488 2.093 1.00 0.00 C ATOM 1099 O LEU A 73 1.547 8.833 0.913 1.00 0.00 O ATOM 1100 CB LEU A 73 1.076 6.109 2.683 1.00 0.00 C ATOM 1101 CG LEU A 73 -0.018 5.042 2.567 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.573 3.706 2.158 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.779 4.915 3.880 1.00 0.00 C ATOM 0 H LEU A 73 -0.694 7.129 1.068 1.00 0.00 H new ATOM 0 HA LEU A 73 0.386 7.866 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.771 5.988 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.640 5.933 3.599 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.718 5.353 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.222 2.964 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.068 3.807 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.298 3.385 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.552 4.153 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.089 4.630 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.241 5.871 4.127 1.00 0.00 H new ATOM 1115 N GLN A 74 2.568 8.902 2.918 1.00 0.00 N ATOM 1116 CA GLN A 74 3.623 9.805 2.473 1.00 0.00 C ATOM 1117 C GLN A 74 4.989 9.355 2.978 1.00 0.00 C ATOM 1118 O GLN A 74 5.109 8.341 3.666 1.00 0.00 O ATOM 1119 CB GLN A 74 3.336 11.229 2.950 1.00 0.00 C ATOM 1120 CG GLN A 74 2.024 11.793 2.430 1.00 0.00 C ATOM 1121 CD GLN A 74 2.209 12.668 1.206 1.00 0.00 C ATOM 1122 OE1 GLN A 74 2.965 13.639 1.232 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.517 12.328 0.125 1.00 0.00 N ATOM 0 H GLN A 74 2.635 8.626 3.898 1.00 0.00 H new ATOM 0 HA GLN A 74 3.640 9.786 1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.321 11.242 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.152 11.880 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.351 10.971 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.545 12.374 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.902 11.515 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.601 12.880 -0.729 1.00 0.00 H new ATOM 1132 N HIS A 75 6.019 10.119 2.625 1.00 0.00 N ATOM 1133 CA HIS A 75 7.387 9.810 3.032 1.00 0.00 C ATOM 1134 C HIS A 75 7.493 9.638 4.544 1.00 0.00 C ATOM 1135 O HIS A 75 7.390 10.607 5.297 1.00 0.00 O ATOM 1136 CB HIS A 75 8.338 10.917 2.571 1.00 0.00 C ATOM 1137 CG HIS A 75 9.784 10.536 2.660 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.220 9.368 3.249 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.897 11.177 2.232 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.538 9.307 3.179 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.973 10.392 2.566 1.00 0.00 N ATOM 0 H HIS A 75 5.932 10.961 2.055 1.00 0.00 H new ATOM 0 HA HIS A 75 7.669 8.868 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.103 11.182 1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.167 11.808 3.176 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.932 12.129 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.155 8.506 3.559 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.950 10.612 2.372 1.00 0.00 H new ATOM 1150 N GLY A 76 7.707 8.401 4.979 1.00 0.00 N ATOM 1151 CA GLY A 76 7.832 8.127 6.398 1.00 0.00 C ATOM 1152 C GLY A 76 6.649 7.363 6.963 1.00 0.00 C ATOM 1153 O GLY A 76 6.605 7.082 8.161 1.00 0.00 O ATOM 0 H GLY A 76 7.796 7.584 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.743 7.555 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.939 9.069 6.936 1.00 0.00 H new ATOM 1157 N ASP A 77 5.687 7.023 6.109 1.00 0.00 N ATOM 1158 CA ASP A 77 4.509 6.287 6.549 1.00 0.00 C ATOM 1159 C ASP A 77 4.812 4.797 6.663 1.00 0.00 C ATOM 1160 O ASP A 77 5.941 4.362 6.433 1.00 0.00 O ATOM 1161 CB ASP A 77 3.347 6.514 5.581 1.00 0.00 C ATOM 1162 CG ASP A 77 2.342 7.519 6.109 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.414 7.104 6.835 1.00 0.00 O ATOM 1164 OD2 ASP A 77 2.483 8.720 5.797 1.00 0.00 O ATOM 0 H ASP A 77 5.701 7.245 5.114 1.00 0.00 H new ATOM 0 HA ASP A 77 4.226 6.658 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.737 6.863 4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.844 5.566 5.393 1.00 0.00 H new ATOM 1169 N ARG A 78 3.795 4.020 7.017 1.00 0.00 N ATOM 1170 CA ARG A 78 3.945 2.577 7.160 1.00 0.00 C ATOM 1171 C ARG A 78 2.660 1.865 6.770 1.00 0.00 C ATOM 1172 O ARG A 78 1.565 2.398 6.949 1.00 0.00 O ATOM 1173 CB ARG A 78 4.331 2.218 8.597 1.00 0.00 C ATOM 1174 CG ARG A 78 3.492 2.931 9.646 1.00 0.00 C ATOM 1175 CD ARG A 78 4.347 3.809 10.547 1.00 0.00 C ATOM 1176 NE ARG A 78 3.676 4.121 11.805 1.00 0.00 N ATOM 1177 CZ ARG A 78 2.714 5.034 11.926 1.00 0.00 C ATOM 1178 NH1 ARG A 78 2.311 5.727 10.869 1.00 0.00 N ATOM 1179 NH2 ARG A 78 2.156 5.255 13.109 1.00 0.00 N ATOM 0 H ARG A 78 2.855 4.366 7.211 1.00 0.00 H new ATOM 0 HA ARG A 78 4.741 2.249 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.231 1.141 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.381 2.463 8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.736 3.542 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.963 2.195 10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.290 3.304 10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.589 4.735 10.026 1.00 0.00 H new ATOM 0 HE ARG A 78 3.961 3.610 12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.738 5.562 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.574 6.425 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.464 4.726 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.419 5.954 13.203 1.00 0.00 H new ATOM 1193 N ILE A 79 2.797 0.663 6.224 1.00 0.00 N ATOM 1194 CA ILE A 79 1.641 -0.108 5.799 1.00 0.00 C ATOM 1195 C ILE A 79 1.848 -1.598 6.022 1.00 0.00 C ATOM 1196 O ILE A 79 2.962 -2.054 6.278 1.00 0.00 O ATOM 1197 CB ILE A 79 1.324 0.128 4.310 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.611 0.334 3.507 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.398 1.320 4.152 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.374 0.536 2.026 1.00 0.00 C ATOM 0 H ILE A 79 3.694 0.204 6.067 1.00 0.00 H new ATOM 0 HA ILE A 79 0.804 0.233 6.407 1.00 0.00 H new ATOM 0 HB ILE A 79 0.821 -0.757 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.142 1.200 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.260 -0.530 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.182 1.475 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.532 1.132 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.878 2.210 4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.329 0.676 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.871 -0.339 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.751 1.417 1.874 1.00 0.00 H new ATOM 1212 N THR A 80 0.761 -2.352 5.912 1.00 0.00 N ATOM 1213 CA THR A 80 0.810 -3.794 6.088 1.00 0.00 C ATOM 1214 C THR A 80 0.034 -4.491 4.979 1.00 0.00 C ATOM 1215 O THR A 80 -1.128 -4.176 4.727 1.00 0.00 O ATOM 1216 CB THR A 80 0.238 -4.190 7.447 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.914 -3.517 8.494 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.328 -5.677 7.720 1.00 0.00 C ATOM 0 H THR A 80 -0.167 -1.985 5.701 1.00 0.00 H new ATOM 0 HA THR A 80 1.853 -4.106 6.042 1.00 0.00 H new ATOM 0 HB THR A 80 -0.813 -3.905 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.531 -3.784 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.095 -5.893 8.701 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.228 -6.221 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.372 -5.988 7.699 1.00 0.00 H new ATOM 1226 N ILE A 81 0.687 -5.435 4.319 1.00 0.00 N ATOM 1227 CA ILE A 81 0.062 -6.177 3.235 1.00 0.00 C ATOM 1228 C ILE A 81 -0.452 -7.526 3.715 1.00 0.00 C ATOM 1229 O ILE A 81 -0.003 -8.048 4.735 1.00 0.00 O ATOM 1230 CB ILE A 81 1.043 -6.404 2.070 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.765 -5.101 1.724 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.307 -6.951 0.857 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.828 -3.955 1.404 1.00 0.00 C ATOM 0 H ILE A 81 1.651 -5.706 4.515 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.776 -5.574 2.885 1.00 0.00 H new ATOM 0 HB ILE A 81 1.788 -7.138 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.402 -4.815 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.419 -5.274 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.014 -7.106 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.164 -7.900 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.457 -6.240 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.410 -3.064 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.208 -4.220 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.191 -3.755 2.265 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.391 -8.090 2.970 1.00 0.00 N ATOM 1246 CA GLU A 82 -1.959 -9.385 3.313 1.00 0.00 C ATOM 1247 C GLU A 82 -2.142 -10.239 2.062 1.00 0.00 C ATOM 1248 O GLU A 82 -2.909 -9.889 1.166 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.298 -9.209 4.040 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.187 -10.445 4.010 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.392 -10.320 4.922 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.266 -10.648 6.121 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.462 -9.897 4.437 1.00 0.00 O ATOM 0 H GLU A 82 -1.776 -7.671 2.124 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.266 -9.896 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.103 -8.939 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.837 -8.375 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.526 -10.619 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.602 -11.316 4.305 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.433 -11.361 2.011 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.522 -12.265 0.876 1.00 0.00 C ATOM 1262 C ILE A 83 -2.919 -12.861 0.772 1.00 0.00 C ATOM 1263 O ILE A 83 -3.312 -13.697 1.586 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.490 -13.409 0.972 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.934 -12.845 0.982 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.672 -14.382 -0.187 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.637 -12.995 2.313 1.00 0.00 C ATOM 0 H ILE A 83 -0.791 -11.664 2.743 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.306 -11.677 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.652 -13.948 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.520 -13.348 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.899 -11.788 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.062 -15.184 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.676 -14.804 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.532 -13.854 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.640 -12.573 2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.074 -12.468 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.705 -14.052 2.572 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.663 -12.426 -0.234 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.018 -12.915 -0.447 1.00 0.00 C ATOM 1281 C LEU A 84 -5.002 -14.321 -1.036 1.00 0.00 C ATOM 1282 O LEU A 84 -3.939 -14.867 -1.333 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.782 -11.958 -1.363 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.607 -10.474 -1.032 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.479 -9.619 -1.936 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -5.928 -10.207 0.434 1.00 0.00 C ATOM 0 H LEU A 84 -3.351 -11.735 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.525 -12.960 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.460 -12.127 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.843 -12.203 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.565 -10.205 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.341 -8.567 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.197 -9.785 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.525 -9.891 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.797 -9.146 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.959 -10.494 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.257 -10.790 1.065 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.184 -14.907 -1.195 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.302 -16.253 -1.740 1.00 0.00 C ATOM 1300 C LYS A 85 -6.544 -16.214 -3.244 1.00 0.00 C ATOM 1301 O LYS A 85 -7.673 -16.033 -3.700 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.438 -17.009 -1.045 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.045 -18.402 -0.579 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.371 -18.364 0.783 1.00 0.00 C ATOM 1305 CE LYS A 85 -4.858 -18.463 0.660 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.164 -17.586 1.642 1.00 0.00 N ATOM 0 H LYS A 85 -7.074 -14.470 -0.954 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.363 -16.775 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.777 -16.430 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.283 -17.088 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.932 -19.034 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.371 -18.854 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.636 -17.439 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.742 -19.185 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.548 -19.497 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.557 -18.186 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.135 -17.682 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.440 -16.597 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.431 -17.866 2.607 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.473 -16.388 -4.004 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.575 -16.373 -5.452 1.00 0.00 C ATOM 1322 C GLY A 86 -5.325 -17.738 -6.064 1.00 0.00 C ATOM 1323 O GLY A 86 -5.548 -18.750 -5.367 1.00 0.00 O ATOM 1324 OXT GLY A 86 -4.909 -17.794 -7.240 1.00 0.00 O ATOM 0 H GLY A 86 -4.531 -16.540 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.567 -16.025 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.857 -15.660 -5.857 1.00 0.00 H new