USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 638 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 66 CYS SG : rot -170:sc= -0.752 USER MOD Set 1.2: A 67 THR OG1 : rot 99:sc= 1.08 USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0.0198 USER MOD Set 2.2: A 65 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.824) USER MOD Set 3.1: A 36 GLN : amide:sc= 0.731 K(o=2.9,f=1.9) USER MOD Set 3.2: A 40 HIS : no HE2:sc= 1.39 K(o=2.9,f=-6.6!) USER MOD Set 3.3: A 43 GLN : amide:sc= 0.823 K(o=2.9,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0358 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl 178:sc= 0 (180deg=-0.0113) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.0693 X(o=0.069,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 1.16 (180deg=1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0.831 (180deg=0.752) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -140:sc= 1.15 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.592 K(o=0.59,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.949 K(o=0.95,f=-0.0017) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0.805 K(o=0.8,f=-6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.13) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0462 USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= 1.03 (180deg=0.406) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.013 -25.676 -12.645 1.00 0.00 N ATOM 2 CA GLY A 1 16.680 -27.057 -13.059 1.00 0.00 C ATOM 3 C GLY A 1 15.199 -27.359 -12.876 1.00 0.00 C ATOM 4 O GLY A 1 14.366 -26.451 -12.920 1.00 0.00 O ATOM 0 H1 GLY A 1 17.758 -25.298 -13.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.166 -25.078 -12.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.349 -25.680 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.954 -27.199 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.270 -27.764 -12.476 1.00 0.00 H new ATOM 10 N SER A 2 14.853 -28.636 -12.672 1.00 0.00 N ATOM 11 CA SER A 2 13.465 -29.124 -12.539 1.00 0.00 C ATOM 12 C SER A 2 12.716 -28.577 -11.309 1.00 0.00 C ATOM 13 O SER A 2 11.491 -28.460 -11.328 1.00 0.00 O ATOM 14 CB SER A 2 13.456 -30.658 -12.470 1.00 0.00 C ATOM 15 OG SER A 2 14.148 -31.227 -13.575 1.00 0.00 O ATOM 0 H SER A 2 15.545 -29.382 -12.592 1.00 0.00 H new ATOM 0 HA SER A 2 12.941 -28.757 -13.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.920 -30.985 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.427 -31.018 -12.457 1.00 0.00 H new ATOM 0 HG SER A 2 14.128 -32.204 -13.505 1.00 0.00 H new ATOM 21 N ASP A 3 13.438 -28.220 -10.241 1.00 0.00 N ATOM 22 CA ASP A 3 12.909 -27.514 -9.068 1.00 0.00 C ATOM 23 C ASP A 3 12.686 -26.018 -9.378 1.00 0.00 C ATOM 24 O ASP A 3 13.592 -25.192 -9.230 1.00 0.00 O ATOM 25 CB ASP A 3 13.858 -27.731 -7.877 1.00 0.00 C ATOM 26 CG ASP A 3 13.342 -27.064 -6.588 1.00 0.00 C ATOM 27 OD1 ASP A 3 12.151 -27.254 -6.242 1.00 0.00 O ATOM 28 OD2 ASP A 3 14.134 -26.379 -5.896 1.00 0.00 O ATOM 0 H ASP A 3 14.435 -28.420 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 3 11.933 -27.920 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.983 -28.800 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.842 -27.331 -8.122 1.00 0.00 H new ATOM 33 N HIS A 4 11.484 -25.671 -9.855 1.00 0.00 N ATOM 34 CA HIS A 4 11.093 -24.295 -10.190 1.00 0.00 C ATOM 35 C HIS A 4 11.122 -23.352 -8.968 1.00 0.00 C ATOM 36 O HIS A 4 10.877 -23.769 -7.831 1.00 0.00 O ATOM 37 CB HIS A 4 9.693 -24.304 -10.826 1.00 0.00 C ATOM 38 CG HIS A 4 9.629 -25.011 -12.160 1.00 0.00 C ATOM 39 ND1 HIS A 4 9.998 -24.477 -13.377 1.00 0.00 N ATOM 40 CD2 HIS A 4 9.171 -26.281 -12.387 1.00 0.00 C ATOM 41 CE1 HIS A 4 9.769 -25.406 -14.322 1.00 0.00 C ATOM 42 NE2 HIS A 4 9.263 -26.521 -13.765 1.00 0.00 N ATOM 0 H HIS A 4 10.742 -26.351 -10.022 1.00 0.00 H new ATOM 0 HA HIS A 4 11.825 -23.907 -10.899 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.996 -24.783 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 4 9.357 -23.275 -10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.806 -26.971 -11.641 1.00 0.00 H new ATOM 0 HE1 HIS A 4 9.963 -25.276 -15.376 1.00 0.00 H new ATOM 0 HE2 HIS A 4 8.997 -27.377 -14.252 1.00 0.00 H new ATOM 50 N MET A 5 11.384 -22.061 -9.205 1.00 0.00 N ATOM 51 CA MET A 5 11.436 -21.013 -8.175 1.00 0.00 C ATOM 52 C MET A 5 10.026 -20.625 -7.685 1.00 0.00 C ATOM 53 O MET A 5 9.389 -19.709 -8.216 1.00 0.00 O ATOM 54 CB MET A 5 12.237 -19.809 -8.707 1.00 0.00 C ATOM 55 CG MET A 5 12.503 -18.740 -7.637 1.00 0.00 C ATOM 56 SD MET A 5 13.397 -19.285 -6.150 1.00 0.00 S ATOM 57 CE MET A 5 15.025 -19.677 -6.853 1.00 0.00 C ATOM 0 H MET A 5 11.571 -21.706 -10.143 1.00 0.00 H new ATOM 0 HA MET A 5 11.954 -21.399 -7.297 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.189 -20.161 -9.104 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.693 -19.357 -9.536 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.069 -17.930 -8.097 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.545 -18.323 -7.326 1.00 0.00 H new ATOM 0 HE1 MET A 5 15.699 -19.993 -6.056 1.00 0.00 H new ATOM 0 HE2 MET A 5 14.923 -20.481 -7.582 1.00 0.00 H new ATOM 0 HE3 MET A 5 15.432 -18.793 -7.343 1.00 0.00 H new ATOM 67 N SER A 6 9.519 -21.354 -6.687 1.00 0.00 N ATOM 68 CA SER A 6 8.237 -21.096 -6.012 1.00 0.00 C ATOM 69 C SER A 6 8.291 -19.873 -5.071 1.00 0.00 C ATOM 70 O SER A 6 9.353 -19.276 -4.857 1.00 0.00 O ATOM 71 CB SER A 6 7.815 -22.364 -5.254 1.00 0.00 C ATOM 72 OG SER A 6 6.443 -22.306 -4.893 1.00 0.00 O ATOM 0 H SER A 6 10.004 -22.169 -6.311 1.00 0.00 H new ATOM 0 HA SER A 6 7.494 -20.850 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.995 -23.241 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.426 -22.478 -4.359 1.00 0.00 H new ATOM 0 HG SER A 6 6.196 -23.124 -4.413 1.00 0.00 H new ATOM 78 N SER A 7 7.147 -19.519 -4.473 1.00 0.00 N ATOM 79 CA SER A 7 6.930 -18.382 -3.553 1.00 0.00 C ATOM 80 C SER A 7 7.263 -16.993 -4.150 1.00 0.00 C ATOM 81 O SER A 7 7.500 -16.845 -5.353 1.00 0.00 O ATOM 82 CB SER A 7 7.639 -18.640 -2.208 1.00 0.00 C ATOM 83 OG SER A 7 7.164 -19.836 -1.604 1.00 0.00 O ATOM 0 H SER A 7 6.289 -20.050 -4.625 1.00 0.00 H new ATOM 0 HA SER A 7 5.856 -18.331 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.715 -18.711 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.471 -17.798 -1.537 1.00 0.00 H new ATOM 0 HG SER A 7 7.629 -19.980 -0.753 1.00 0.00 H new ATOM 89 N THR A 8 7.213 -15.951 -3.313 1.00 0.00 N ATOM 90 CA THR A 8 7.366 -14.521 -3.657 1.00 0.00 C ATOM 91 C THR A 8 8.325 -13.840 -2.664 1.00 0.00 C ATOM 92 O THR A 8 8.593 -14.380 -1.586 1.00 0.00 O ATOM 93 CB THR A 8 5.971 -13.849 -3.646 1.00 0.00 C ATOM 94 OG1 THR A 8 5.073 -14.546 -4.487 1.00 0.00 O ATOM 95 CG2 THR A 8 5.928 -12.388 -4.097 1.00 0.00 C ATOM 0 H THR A 8 7.055 -16.085 -2.314 1.00 0.00 H new ATOM 0 HA THR A 8 7.796 -14.419 -4.654 1.00 0.00 H new ATOM 0 HB THR A 8 5.692 -13.882 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.197 -14.107 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.902 -12.022 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.559 -11.786 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.292 -12.313 -5.122 1.00 0.00 H new ATOM 103 N SER A 9 8.830 -12.644 -2.984 1.00 0.00 N ATOM 104 CA SER A 9 9.742 -11.877 -2.116 1.00 0.00 C ATOM 105 C SER A 9 9.023 -11.428 -0.831 1.00 0.00 C ATOM 106 O SER A 9 7.889 -10.948 -0.911 1.00 0.00 O ATOM 107 CB SER A 9 10.256 -10.638 -2.860 1.00 0.00 C ATOM 108 OG SER A 9 10.925 -11.024 -4.052 1.00 0.00 O ATOM 0 H SER A 9 8.617 -12.172 -3.863 1.00 0.00 H new ATOM 0 HA SER A 9 10.579 -12.523 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.423 -9.977 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.935 -10.076 -2.219 1.00 0.00 H new ATOM 0 HG SER A 9 11.247 -10.225 -4.520 1.00 0.00 H new ATOM 114 N PRO A 10 9.650 -11.542 0.357 1.00 0.00 N ATOM 115 CA PRO A 10 8.964 -11.347 1.637 1.00 0.00 C ATOM 116 C PRO A 10 8.438 -9.920 1.835 1.00 0.00 C ATOM 117 O PRO A 10 7.344 -9.742 2.370 1.00 0.00 O ATOM 118 CB PRO A 10 9.974 -11.758 2.716 1.00 0.00 C ATOM 119 CG PRO A 10 11.332 -11.589 2.036 1.00 0.00 C ATOM 120 CD PRO A 10 11.032 -11.943 0.581 1.00 0.00 C ATOM 0 HA PRO A 10 8.062 -11.957 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.890 -11.128 3.602 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.815 -12.787 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.709 -10.571 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.084 -12.251 2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.707 -11.420 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.164 -13.010 0.402 1.00 0.00 H new ATOM 128 N ASN A 11 9.160 -8.902 1.353 1.00 0.00 N ATOM 129 CA ASN A 11 8.697 -7.509 1.386 1.00 0.00 C ATOM 130 C ASN A 11 7.456 -7.292 0.503 1.00 0.00 C ATOM 131 O ASN A 11 6.517 -6.624 0.928 1.00 0.00 O ATOM 132 CB ASN A 11 9.848 -6.571 0.981 1.00 0.00 C ATOM 133 CG ASN A 11 10.967 -6.561 2.007 1.00 0.00 C ATOM 134 OD1 ASN A 11 12.010 -7.176 1.831 1.00 0.00 O ATOM 135 ND2 ASN A 11 10.787 -5.877 3.116 1.00 0.00 N ATOM 0 H ASN A 11 10.080 -9.020 0.930 1.00 0.00 H new ATOM 0 HA ASN A 11 8.393 -7.274 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.246 -6.882 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.463 -5.559 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.517 -5.860 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.918 -5.364 3.263 1.00 0.00 H new ATOM 142 N LEU A 12 7.423 -7.884 -0.698 1.00 0.00 N ATOM 143 CA LEU A 12 6.271 -7.823 -1.607 1.00 0.00 C ATOM 144 C LEU A 12 5.045 -8.546 -1.023 1.00 0.00 C ATOM 145 O LEU A 12 3.939 -8.012 -1.067 1.00 0.00 O ATOM 146 CB LEU A 12 6.675 -8.393 -2.981 1.00 0.00 C ATOM 147 CG LEU A 12 5.603 -8.246 -4.080 1.00 0.00 C ATOM 148 CD1 LEU A 12 5.168 -6.795 -4.301 1.00 0.00 C ATOM 149 CD2 LEU A 12 6.164 -8.764 -5.406 1.00 0.00 C ATOM 0 H LEU A 12 8.204 -8.425 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 12 5.976 -6.781 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.586 -7.895 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.914 -9.450 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 12 4.737 -8.818 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.413 -6.757 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.751 -6.395 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.030 -6.198 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.409 -8.662 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.047 -8.186 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.436 -9.814 -5.300 1.00 0.00 H new ATOM 161 N GLN A 13 5.242 -9.725 -0.421 1.00 0.00 N ATOM 162 CA GLN A 13 4.198 -10.432 0.330 1.00 0.00 C ATOM 163 C GLN A 13 3.624 -9.554 1.453 1.00 0.00 C ATOM 164 O GLN A 13 2.404 -9.367 1.518 1.00 0.00 O ATOM 165 CB GLN A 13 4.729 -11.762 0.891 1.00 0.00 C ATOM 166 CG GLN A 13 5.013 -12.799 -0.204 1.00 0.00 C ATOM 167 CD GLN A 13 5.453 -14.145 0.376 1.00 0.00 C ATOM 168 OE1 GLN A 13 6.378 -14.245 1.171 1.00 0.00 O ATOM 169 NE2 GLN A 13 4.813 -15.236 0.006 1.00 0.00 N ATOM 0 H GLN A 13 6.135 -10.218 -0.441 1.00 0.00 H new ATOM 0 HA GLN A 13 3.387 -10.656 -0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.644 -11.574 1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.002 -12.171 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.117 -12.941 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.790 -12.420 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.039 -15.174 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.091 -16.143 0.381 1.00 0.00 H new ATOM 178 N LYS A 14 4.485 -8.964 2.301 1.00 0.00 N ATOM 179 CA LYS A 14 4.073 -8.035 3.369 1.00 0.00 C ATOM 180 C LYS A 14 3.291 -6.841 2.811 1.00 0.00 C ATOM 181 O LYS A 14 2.220 -6.526 3.318 1.00 0.00 O ATOM 182 CB LYS A 14 5.278 -7.569 4.220 1.00 0.00 C ATOM 183 CG LYS A 14 4.984 -7.579 5.732 1.00 0.00 C ATOM 184 CD LYS A 14 3.812 -6.693 6.175 1.00 0.00 C ATOM 185 CE LYS A 14 3.428 -6.884 7.648 1.00 0.00 C ATOM 186 NZ LYS A 14 2.746 -8.187 7.888 1.00 0.00 N ATOM 0 H LYS A 14 5.492 -9.119 2.265 1.00 0.00 H new ATOM 0 HA LYS A 14 3.402 -8.586 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.132 -8.216 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.562 -6.561 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.780 -8.605 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.881 -7.260 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.072 -5.648 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.946 -6.910 5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.324 -6.826 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.773 -6.070 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.385 -8.216 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.954 -8.292 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.422 -8.964 7.746 1.00 0.00 H new ATOM 200 N ALA A 15 3.785 -6.204 1.751 1.00 0.00 N ATOM 201 CA ALA A 15 3.142 -5.049 1.129 1.00 0.00 C ATOM 202 C ALA A 15 1.647 -5.286 0.836 1.00 0.00 C ATOM 203 O ALA A 15 0.815 -4.455 1.189 1.00 0.00 O ATOM 204 CB ALA A 15 3.907 -4.682 -0.145 1.00 0.00 C ATOM 0 H ALA A 15 4.654 -6.479 1.294 1.00 0.00 H new ATOM 0 HA ALA A 15 3.177 -4.218 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.435 -3.821 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.939 -4.437 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.893 -5.527 -0.834 1.00 0.00 H new ATOM 210 N ILE A 16 1.300 -6.432 0.237 1.00 0.00 N ATOM 211 CA ILE A 16 -0.083 -6.791 -0.126 1.00 0.00 C ATOM 212 C ILE A 16 -0.882 -7.227 1.110 1.00 0.00 C ATOM 213 O ILE A 16 -2.013 -6.779 1.301 1.00 0.00 O ATOM 214 CB ILE A 16 -0.136 -7.908 -1.199 1.00 0.00 C ATOM 215 CG1 ILE A 16 0.746 -7.587 -2.430 1.00 0.00 C ATOM 216 CG2 ILE A 16 -1.589 -8.134 -1.661 1.00 0.00 C ATOM 217 CD1 ILE A 16 0.991 -8.777 -3.365 1.00 0.00 C ATOM 0 H ILE A 16 1.980 -7.149 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.535 -5.894 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 16 0.256 -8.812 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.275 -6.785 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.708 -7.210 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.613 -8.921 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.200 -8.430 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.983 -7.211 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.618 -8.461 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.492 -9.574 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.037 -9.143 -3.746 1.00 0.00 H new ATOM 229 N ASP A 17 -0.296 -8.068 1.969 1.00 0.00 N ATOM 230 CA ASP A 17 -0.870 -8.488 3.256 1.00 0.00 C ATOM 231 C ASP A 17 -1.325 -7.283 4.096 1.00 0.00 C ATOM 232 O ASP A 17 -2.413 -7.289 4.676 1.00 0.00 O ATOM 233 CB ASP A 17 0.180 -9.327 4.005 1.00 0.00 C ATOM 234 CG ASP A 17 -0.159 -9.564 5.484 1.00 0.00 C ATOM 235 OD1 ASP A 17 -1.078 -10.365 5.778 1.00 0.00 O ATOM 236 OD2 ASP A 17 0.524 -8.968 6.355 1.00 0.00 O ATOM 0 H ASP A 17 0.615 -8.488 1.785 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.761 -9.089 3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.285 -10.291 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.146 -8.827 3.939 1.00 0.00 H new ATOM 241 N LEU A 18 -0.515 -6.222 4.110 1.00 0.00 N ATOM 242 CA LEU A 18 -0.769 -5.014 4.881 1.00 0.00 C ATOM 243 C LEU A 18 -1.630 -3.995 4.109 1.00 0.00 C ATOM 244 O LEU A 18 -2.440 -3.314 4.732 1.00 0.00 O ATOM 245 CB LEU A 18 0.570 -4.513 5.452 1.00 0.00 C ATOM 246 CG LEU A 18 1.230 -3.329 4.746 1.00 0.00 C ATOM 247 CD1 LEU A 18 0.743 -2.074 5.451 1.00 0.00 C ATOM 248 CD2 LEU A 18 2.749 -3.382 4.913 1.00 0.00 C ATOM 0 H LEU A 18 0.352 -6.183 3.573 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.404 -5.219 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.411 -4.239 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.273 -5.346 5.445 1.00 0.00 H new ATOM 0 HG LEU A 18 0.983 -3.346 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.188 -1.197 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.343 -2.013 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.034 -2.110 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.201 -2.531 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.000 -3.345 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.130 -4.307 4.482 1.00 0.00 H new ATOM 260 N ALA A 19 -1.559 -3.940 2.773 1.00 0.00 N ATOM 261 CA ALA A 19 -2.487 -3.175 1.929 1.00 0.00 C ATOM 262 C ALA A 19 -3.940 -3.653 2.130 1.00 0.00 C ATOM 263 O ALA A 19 -4.863 -2.852 2.292 1.00 0.00 O ATOM 264 CB ALA A 19 -2.080 -3.329 0.460 1.00 0.00 C ATOM 0 H ALA A 19 -0.844 -4.434 2.239 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.437 -2.125 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.767 -2.763 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.067 -2.952 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.117 -4.382 0.181 1.00 0.00 H new ATOM 270 N SER A 20 -4.129 -4.977 2.183 1.00 0.00 N ATOM 271 CA SER A 20 -5.393 -5.637 2.528 1.00 0.00 C ATOM 272 C SER A 20 -5.888 -5.239 3.931 1.00 0.00 C ATOM 273 O SER A 20 -7.065 -4.915 4.119 1.00 0.00 O ATOM 274 CB SER A 20 -5.200 -7.157 2.421 1.00 0.00 C ATOM 275 OG SER A 20 -6.453 -7.818 2.458 1.00 0.00 O ATOM 0 H SER A 20 -3.381 -5.640 1.980 1.00 0.00 H new ATOM 0 HA SER A 20 -6.162 -5.312 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.681 -7.400 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.572 -7.509 3.239 1.00 0.00 H new ATOM 0 HG SER A 20 -6.315 -8.786 2.387 1.00 0.00 H new ATOM 281 N LYS A 21 -4.979 -5.183 4.919 1.00 0.00 N ATOM 282 CA LYS A 21 -5.264 -4.761 6.302 1.00 0.00 C ATOM 283 C LYS A 21 -5.636 -3.278 6.400 1.00 0.00 C ATOM 284 O LYS A 21 -6.521 -2.904 7.164 1.00 0.00 O ATOM 285 CB LYS A 21 -4.043 -5.081 7.187 1.00 0.00 C ATOM 286 CG LYS A 21 -4.334 -5.007 8.697 1.00 0.00 C ATOM 287 CD LYS A 21 -5.275 -6.107 9.201 1.00 0.00 C ATOM 288 CE LYS A 21 -4.612 -7.486 9.091 1.00 0.00 C ATOM 289 NZ LYS A 21 -5.499 -8.570 9.590 1.00 0.00 N ATOM 0 H LYS A 21 -4.001 -5.436 4.775 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.134 -5.316 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.682 -6.081 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.239 -4.385 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.392 -5.070 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.771 -4.035 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.547 -5.911 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.198 -6.095 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.351 -7.681 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.682 -7.488 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.014 -9.485 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.728 -8.398 10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.376 -8.586 9.031 1.00 0.00 H new ATOM 303 N ALA A 22 -4.980 -2.439 5.605 1.00 0.00 N ATOM 304 CA ALA A 22 -5.224 -1.003 5.512 1.00 0.00 C ATOM 305 C ALA A 22 -6.703 -0.720 5.214 1.00 0.00 C ATOM 306 O ALA A 22 -7.379 -0.054 5.999 1.00 0.00 O ATOM 307 CB ALA A 22 -4.284 -0.403 4.460 1.00 0.00 C ATOM 0 H ALA A 22 -4.235 -2.753 4.983 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.010 -0.525 6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.460 0.670 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.249 -0.581 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.473 -0.871 3.494 1.00 0.00 H new ATOM 313 N ALA A 23 -7.210 -1.302 4.123 1.00 0.00 N ATOM 314 CA ALA A 23 -8.616 -1.286 3.728 1.00 0.00 C ATOM 315 C ALA A 23 -9.569 -1.875 4.782 1.00 0.00 C ATOM 316 O ALA A 23 -10.659 -1.333 4.955 1.00 0.00 O ATOM 317 CB ALA A 23 -8.744 -2.000 2.380 1.00 0.00 C ATOM 0 H ALA A 23 -6.625 -1.818 3.466 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.930 -0.246 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.788 -2.000 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.140 -1.482 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.395 -3.028 2.478 1.00 0.00 H new ATOM 323 N GLN A 24 -9.176 -2.926 5.519 1.00 0.00 N ATOM 324 CA GLN A 24 -9.958 -3.455 6.647 1.00 0.00 C ATOM 325 C GLN A 24 -10.217 -2.365 7.704 1.00 0.00 C ATOM 326 O GLN A 24 -11.371 -2.063 8.000 1.00 0.00 O ATOM 327 CB GLN A 24 -9.271 -4.689 7.266 1.00 0.00 C ATOM 328 CG GLN A 24 -10.129 -5.368 8.348 1.00 0.00 C ATOM 329 CD GLN A 24 -9.324 -6.392 9.146 1.00 0.00 C ATOM 330 OE1 GLN A 24 -9.169 -7.546 8.764 1.00 0.00 O ATOM 331 NE2 GLN A 24 -8.773 -6.023 10.283 1.00 0.00 N ATOM 0 H GLN A 24 -8.307 -3.433 5.349 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.927 -3.775 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.050 -5.410 6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.317 -4.389 7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.528 -4.612 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.982 -5.860 7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.889 -5.067 10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.230 -6.693 10.827 1.00 0.00 H new ATOM 340 N GLU A 25 -9.163 -1.768 8.270 1.00 0.00 N ATOM 341 CA GLU A 25 -9.284 -0.746 9.325 1.00 0.00 C ATOM 342 C GLU A 25 -9.958 0.545 8.823 1.00 0.00 C ATOM 343 O GLU A 25 -10.783 1.137 9.523 1.00 0.00 O ATOM 344 CB GLU A 25 -7.899 -0.427 9.914 1.00 0.00 C ATOM 345 CG GLU A 25 -7.189 -1.638 10.536 1.00 0.00 C ATOM 346 CD GLU A 25 -8.046 -2.332 11.613 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.150 -1.801 12.745 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.624 -3.410 11.326 1.00 0.00 O ATOM 0 H GLU A 25 -8.199 -1.977 8.012 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.926 -1.161 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.268 -0.014 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.009 0.346 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.945 -2.355 9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.246 -1.316 10.978 1.00 0.00 H new ATOM 355 N ASP A 26 -9.642 0.968 7.597 1.00 0.00 N ATOM 356 CA ASP A 26 -10.289 2.079 6.897 1.00 0.00 C ATOM 357 C ASP A 26 -11.796 1.853 6.755 1.00 0.00 C ATOM 358 O ASP A 26 -12.583 2.546 7.385 1.00 0.00 O ATOM 359 CB ASP A 26 -9.592 2.270 5.541 1.00 0.00 C ATOM 360 CG ASP A 26 -10.398 2.939 4.421 1.00 0.00 C ATOM 361 OD1 ASP A 26 -11.260 3.802 4.682 1.00 0.00 O ATOM 362 OD2 ASP A 26 -10.188 2.561 3.245 1.00 0.00 O ATOM 0 H ASP A 26 -8.903 0.531 7.046 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.185 2.995 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.691 2.860 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.271 1.291 5.186 1.00 0.00 H new ATOM 367 N LYS A 27 -12.236 0.878 5.961 1.00 0.00 N ATOM 368 CA LYS A 27 -13.662 0.664 5.670 1.00 0.00 C ATOM 369 C LYS A 27 -14.504 0.184 6.865 1.00 0.00 C ATOM 370 O LYS A 27 -15.733 0.168 6.778 1.00 0.00 O ATOM 371 CB LYS A 27 -13.799 -0.280 4.461 1.00 0.00 C ATOM 372 CG LYS A 27 -13.358 0.328 3.117 1.00 0.00 C ATOM 373 CD LYS A 27 -14.280 1.458 2.619 1.00 0.00 C ATOM 374 CE LYS A 27 -13.818 2.875 2.987 1.00 0.00 C ATOM 375 NZ LYS A 27 -12.659 3.321 2.176 1.00 0.00 N ATOM 0 H LYS A 27 -11.618 0.211 5.499 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.080 1.642 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.209 -1.177 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -14.840 -0.594 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.344 0.716 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.324 -0.460 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.363 1.388 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.278 1.299 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.645 3.571 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.551 2.904 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.459 4.322 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.826 2.747 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.878 3.208 1.166 1.00 0.00 H new ATOM 389 N ALA A 28 -13.871 -0.151 7.990 1.00 0.00 N ATOM 390 CA ALA A 28 -14.527 -0.406 9.283 1.00 0.00 C ATOM 391 C ALA A 28 -14.754 0.907 10.074 1.00 0.00 C ATOM 392 O ALA A 28 -15.372 0.926 11.142 1.00 0.00 O ATOM 393 CB ALA A 28 -13.643 -1.368 10.084 1.00 0.00 C ATOM 0 H ALA A 28 -12.857 -0.257 8.033 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.509 -0.846 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.109 -1.573 11.048 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.527 -2.301 9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.664 -0.916 10.243 1.00 0.00 H new ATOM 399 N GLY A 29 -14.228 2.005 9.531 1.00 0.00 N ATOM 400 CA GLY A 29 -14.063 3.349 10.056 1.00 0.00 C ATOM 401 C GLY A 29 -13.437 3.455 11.440 1.00 0.00 C ATOM 402 O GLY A 29 -13.850 4.275 12.263 1.00 0.00 O ATOM 0 H GLY A 29 -13.859 1.958 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.449 3.917 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.041 3.829 10.084 1.00 0.00 H new ATOM 406 N ASN A 30 -12.410 2.630 11.681 1.00 0.00 N ATOM 407 CA ASN A 30 -11.534 2.764 12.845 1.00 0.00 C ATOM 408 C ASN A 30 -10.763 4.090 12.740 1.00 0.00 C ATOM 409 O ASN A 30 -10.550 4.756 13.753 1.00 0.00 O ATOM 410 CB ASN A 30 -10.560 1.573 12.905 1.00 0.00 C ATOM 411 CG ASN A 30 -11.238 0.300 13.382 1.00 0.00 C ATOM 412 OD1 ASN A 30 -11.617 -0.566 12.609 1.00 0.00 O ATOM 413 ND2 ASN A 30 -11.430 0.148 14.675 1.00 0.00 N ATOM 0 H ASN A 30 -12.165 1.850 11.071 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.127 2.767 13.759 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.132 1.406 11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.734 1.815 13.574 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.893 -0.690 15.027 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.116 0.868 15.325 1.00 0.00 H new ATOM 420 N TYR A 31 -10.380 4.456 11.505 1.00 0.00 N ATOM 421 CA TYR A 31 -9.612 5.643 11.107 1.00 0.00 C ATOM 422 C TYR A 31 -8.545 6.008 12.163 1.00 0.00 C ATOM 423 O TYR A 31 -8.487 7.119 12.692 1.00 0.00 O ATOM 424 CB TYR A 31 -10.554 6.804 10.735 1.00 0.00 C ATOM 425 CG TYR A 31 -11.761 6.489 9.858 1.00 0.00 C ATOM 426 CD1 TYR A 31 -11.654 5.697 8.692 1.00 0.00 C ATOM 427 CD2 TYR A 31 -13.006 7.062 10.194 1.00 0.00 C ATOM 428 CE1 TYR A 31 -12.779 5.533 7.857 1.00 0.00 C ATOM 429 CE2 TYR A 31 -14.124 6.903 9.355 1.00 0.00 C ATOM 430 CZ TYR A 31 -14.010 6.145 8.172 1.00 0.00 C ATOM 431 OH TYR A 31 -15.091 5.952 7.366 1.00 0.00 O ATOM 0 H TYR A 31 -10.620 3.882 10.697 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.049 5.413 10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.920 7.248 11.661 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.962 7.566 10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.717 5.221 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.102 7.630 11.107 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.697 4.931 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.067 7.360 9.616 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.859 6.443 7.726 1.00 0.00 H new ATOM 441 N GLU A 32 -7.701 5.023 12.478 1.00 0.00 N ATOM 442 CA GLU A 32 -6.605 5.115 13.448 1.00 0.00 C ATOM 443 C GLU A 32 -5.337 4.451 12.880 1.00 0.00 C ATOM 444 O GLU A 32 -4.422 5.139 12.430 1.00 0.00 O ATOM 445 CB GLU A 32 -7.090 4.527 14.786 1.00 0.00 C ATOM 446 CG GLU A 32 -6.008 4.513 15.870 1.00 0.00 C ATOM 447 CD GLU A 32 -6.605 4.178 17.250 1.00 0.00 C ATOM 448 OE1 GLU A 32 -6.829 2.978 17.546 1.00 0.00 O ATOM 449 OE2 GLU A 32 -6.848 5.111 18.056 1.00 0.00 O ATOM 0 H GLU A 32 -7.764 4.101 12.047 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.323 6.150 13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.943 5.106 15.141 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.442 3.509 14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.243 3.780 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.517 5.485 15.910 1.00 0.00 H new ATOM 456 N GLU A 33 -5.294 3.114 12.840 1.00 0.00 N ATOM 457 CA GLU A 33 -4.192 2.336 12.249 1.00 0.00 C ATOM 458 C GLU A 33 -4.157 2.403 10.706 1.00 0.00 C ATOM 459 O GLU A 33 -3.090 2.323 10.102 1.00 0.00 O ATOM 460 CB GLU A 33 -4.323 0.891 12.760 1.00 0.00 C ATOM 461 CG GLU A 33 -3.277 -0.052 12.162 1.00 0.00 C ATOM 462 CD GLU A 33 -3.179 -1.366 12.962 1.00 0.00 C ATOM 463 OE1 GLU A 33 -3.906 -2.339 12.645 1.00 0.00 O ATOM 464 OE2 GLU A 33 -2.365 -1.439 13.915 1.00 0.00 O ATOM 0 H GLU A 33 -6.036 2.529 13.224 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.241 2.767 12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.230 0.886 13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.319 0.517 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.535 -0.274 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.305 0.441 12.150 1.00 0.00 H new ATOM 471 N ALA A 34 -5.313 2.600 10.065 1.00 0.00 N ATOM 472 CA ALA A 34 -5.511 2.633 8.616 1.00 0.00 C ATOM 473 C ALA A 34 -4.452 3.467 7.884 1.00 0.00 C ATOM 474 O ALA A 34 -3.714 2.937 7.056 1.00 0.00 O ATOM 475 CB ALA A 34 -6.922 3.162 8.329 1.00 0.00 C ATOM 0 H ALA A 34 -6.184 2.749 10.574 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.401 1.618 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.087 3.193 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.658 2.503 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.025 4.166 8.741 1.00 0.00 H new ATOM 481 N LEU A 35 -4.352 4.759 8.213 1.00 0.00 N ATOM 482 CA LEU A 35 -3.395 5.704 7.616 1.00 0.00 C ATOM 483 C LEU A 35 -1.977 5.132 7.467 1.00 0.00 C ATOM 484 O LEU A 35 -1.440 5.109 6.359 1.00 0.00 O ATOM 485 CB LEU A 35 -3.366 6.992 8.464 1.00 0.00 C ATOM 486 CG LEU A 35 -3.208 8.319 7.701 1.00 0.00 C ATOM 487 CD1 LEU A 35 -1.953 8.363 6.831 1.00 0.00 C ATOM 488 CD2 LEU A 35 -4.433 8.621 6.840 1.00 0.00 C ATOM 0 H LEU A 35 -4.948 5.190 8.919 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.739 5.916 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.289 7.040 9.042 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.547 6.911 9.178 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.108 9.086 8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.899 9.324 6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.071 8.236 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.993 7.561 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.286 9.565 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.573 7.821 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.316 8.693 7.475 1.00 0.00 H new ATOM 500 N GLN A 36 -1.381 4.636 8.559 1.00 0.00 N ATOM 501 CA GLN A 36 -0.025 4.087 8.510 1.00 0.00 C ATOM 502 C GLN A 36 0.044 2.792 7.689 1.00 0.00 C ATOM 503 O GLN A 36 1.052 2.549 7.034 1.00 0.00 O ATOM 504 CB GLN A 36 0.610 3.944 9.905 1.00 0.00 C ATOM 505 CG GLN A 36 -0.008 2.877 10.820 1.00 0.00 C ATOM 506 CD GLN A 36 0.793 2.674 12.108 1.00 0.00 C ATOM 507 OE1 GLN A 36 0.310 2.889 13.212 1.00 0.00 O ATOM 508 NE2 GLN A 36 2.038 2.247 12.034 1.00 0.00 N ATOM 0 H GLN A 36 -1.816 4.605 9.481 1.00 0.00 H new ATOM 0 HA GLN A 36 0.586 4.819 7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.669 3.717 9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.549 4.908 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.028 3.166 11.072 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.069 1.932 10.281 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.460 2.062 11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.579 2.102 12.886 1.00 0.00 H new ATOM 517 N LEU A 37 -1.029 1.996 7.636 1.00 0.00 N ATOM 518 CA LEU A 37 -1.078 0.798 6.789 1.00 0.00 C ATOM 519 C LEU A 37 -1.052 1.177 5.300 1.00 0.00 C ATOM 520 O LEU A 37 -0.306 0.591 4.516 1.00 0.00 O ATOM 521 CB LEU A 37 -2.293 -0.074 7.132 1.00 0.00 C ATOM 522 CG LEU A 37 -2.293 -0.687 8.543 1.00 0.00 C ATOM 523 CD1 LEU A 37 -3.584 -1.478 8.737 1.00 0.00 C ATOM 524 CD2 LEU A 37 -1.142 -1.673 8.756 1.00 0.00 C ATOM 0 H LEU A 37 -1.880 2.161 8.173 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.187 0.204 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.194 0.528 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.355 -0.883 6.404 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.192 0.139 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.595 -1.917 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.439 -0.812 8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.641 -2.270 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.190 -2.075 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.224 -2.488 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.191 -1.159 8.615 1.00 0.00 H new ATOM 536 N TYR A 38 -1.800 2.205 4.905 1.00 0.00 N ATOM 537 CA TYR A 38 -1.783 2.711 3.533 1.00 0.00 C ATOM 538 C TYR A 38 -0.381 3.145 3.075 1.00 0.00 C ATOM 539 O TYR A 38 0.072 2.720 2.009 1.00 0.00 O ATOM 540 CB TYR A 38 -2.810 3.830 3.374 1.00 0.00 C ATOM 541 CG TYR A 38 -4.178 3.287 3.012 1.00 0.00 C ATOM 542 CD1 TYR A 38 -4.477 2.918 1.690 1.00 0.00 C ATOM 543 CD2 TYR A 38 -5.115 3.040 4.020 1.00 0.00 C ATOM 544 CE1 TYR A 38 -5.727 2.356 1.371 1.00 0.00 C ATOM 545 CE2 TYR A 38 -6.354 2.448 3.723 1.00 0.00 C ATOM 546 CZ TYR A 38 -6.683 2.137 2.385 1.00 0.00 C ATOM 547 OH TYR A 38 -7.889 1.606 2.049 1.00 0.00 O ATOM 0 H TYR A 38 -2.434 2.710 5.525 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.063 1.889 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.877 4.397 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.477 4.523 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.742 3.067 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.883 3.308 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.955 2.092 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.054 2.231 4.516 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.597 2.052 2.560 1.00 0.00 H new ATOM 557 N GLN A 39 0.335 3.949 3.871 1.00 0.00 N ATOM 558 CA GLN A 39 1.714 4.337 3.538 1.00 0.00 C ATOM 559 C GLN A 39 2.741 3.193 3.666 1.00 0.00 C ATOM 560 O GLN A 39 3.633 3.103 2.821 1.00 0.00 O ATOM 561 CB GLN A 39 2.158 5.605 4.289 1.00 0.00 C ATOM 562 CG GLN A 39 1.935 5.624 5.807 1.00 0.00 C ATOM 563 CD GLN A 39 2.708 6.754 6.485 1.00 0.00 C ATOM 564 OE1 GLN A 39 3.769 6.561 7.063 1.00 0.00 O ATOM 565 NE2 GLN A 39 2.211 7.974 6.449 1.00 0.00 N ATOM 0 H GLN A 39 -0.014 4.342 4.745 1.00 0.00 H new ATOM 0 HA GLN A 39 1.692 4.579 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.221 5.757 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.632 6.457 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.871 5.736 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.244 4.668 6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.327 8.151 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.710 8.741 6.899 1.00 0.00 H new ATOM 574 N HIS A 40 2.625 2.289 4.650 1.00 0.00 N ATOM 575 CA HIS A 40 3.565 1.166 4.825 1.00 0.00 C ATOM 576 C HIS A 40 3.559 0.199 3.623 1.00 0.00 C ATOM 577 O HIS A 40 4.620 -0.189 3.135 1.00 0.00 O ATOM 578 CB HIS A 40 3.296 0.410 6.140 1.00 0.00 C ATOM 579 CG HIS A 40 3.725 1.102 7.413 1.00 0.00 C ATOM 580 ND1 HIS A 40 4.865 1.850 7.610 1.00 0.00 N ATOM 581 CD2 HIS A 40 3.067 1.036 8.613 1.00 0.00 C ATOM 582 CE1 HIS A 40 4.880 2.251 8.893 1.00 0.00 C ATOM 583 NE2 HIS A 40 3.801 1.780 9.546 1.00 0.00 N ATOM 0 H HIS A 40 1.880 2.313 5.346 1.00 0.00 H new ATOM 0 HA HIS A 40 4.563 1.602 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.227 0.207 6.205 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.801 -0.555 6.089 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.573 2.062 6.907 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.146 0.505 8.805 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.650 2.865 9.337 1.00 0.00 H new ATOM 591 N ALA A 41 2.380 -0.154 3.098 1.00 0.00 N ATOM 592 CA ALA A 41 2.200 -0.896 1.852 1.00 0.00 C ATOM 593 C ALA A 41 3.017 -0.283 0.692 1.00 0.00 C ATOM 594 O ALA A 41 3.854 -0.958 0.092 1.00 0.00 O ATOM 595 CB ALA A 41 0.697 -0.925 1.569 1.00 0.00 C ATOM 0 H ALA A 41 1.495 0.079 3.548 1.00 0.00 H new ATOM 0 HA ALA A 41 2.580 -1.913 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.511 -1.471 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.181 -1.420 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.326 0.095 1.469 1.00 0.00 H new ATOM 601 N VAL A 42 2.817 1.015 0.416 1.00 0.00 N ATOM 602 CA VAL A 42 3.533 1.789 -0.623 1.00 0.00 C ATOM 603 C VAL A 42 5.048 1.786 -0.389 1.00 0.00 C ATOM 604 O VAL A 42 5.805 1.584 -1.338 1.00 0.00 O ATOM 605 CB VAL A 42 2.980 3.227 -0.725 1.00 0.00 C ATOM 606 CG1 VAL A 42 3.738 4.106 -1.728 1.00 0.00 C ATOM 607 CG2 VAL A 42 1.516 3.206 -1.175 1.00 0.00 C ATOM 0 H VAL A 42 2.133 1.577 0.922 1.00 0.00 H new ATOM 0 HA VAL A 42 3.355 1.296 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 42 3.097 3.648 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.295 5.102 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.784 4.180 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.675 3.662 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.141 4.227 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.442 2.728 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.921 2.648 -0.452 1.00 0.00 H new ATOM 617 N GLN A 43 5.487 1.943 0.864 1.00 0.00 N ATOM 618 CA GLN A 43 6.894 1.841 1.278 1.00 0.00 C ATOM 619 C GLN A 43 7.548 0.558 0.739 1.00 0.00 C ATOM 620 O GLN A 43 8.573 0.633 0.061 1.00 0.00 O ATOM 621 CB GLN A 43 7.031 2.044 2.810 1.00 0.00 C ATOM 622 CG GLN A 43 7.700 0.922 3.637 1.00 0.00 C ATOM 623 CD GLN A 43 7.858 1.298 5.112 1.00 0.00 C ATOM 624 OE1 GLN A 43 7.008 1.929 5.729 1.00 0.00 O ATOM 625 NE2 GLN A 43 8.945 0.918 5.749 1.00 0.00 N ATOM 0 H GLN A 43 4.859 2.150 1.640 1.00 0.00 H new ATOM 0 HA GLN A 43 7.462 2.653 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.595 2.962 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.032 2.207 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.104 0.013 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.680 0.699 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.667 0.392 5.257 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.066 1.150 6.735 1.00 0.00 H new ATOM 634 N TYR A 44 6.948 -0.610 0.987 1.00 0.00 N ATOM 635 CA TYR A 44 7.483 -1.883 0.505 1.00 0.00 C ATOM 636 C TYR A 44 7.339 -2.062 -1.010 1.00 0.00 C ATOM 637 O TYR A 44 8.322 -2.441 -1.645 1.00 0.00 O ATOM 638 CB TYR A 44 6.838 -3.051 1.247 1.00 0.00 C ATOM 639 CG TYR A 44 7.176 -3.150 2.723 1.00 0.00 C ATOM 640 CD1 TYR A 44 8.517 -3.151 3.160 1.00 0.00 C ATOM 641 CD2 TYR A 44 6.136 -3.276 3.658 1.00 0.00 C ATOM 642 CE1 TYR A 44 8.810 -3.259 4.534 1.00 0.00 C ATOM 643 CE2 TYR A 44 6.423 -3.398 5.030 1.00 0.00 C ATOM 644 CZ TYR A 44 7.763 -3.384 5.474 1.00 0.00 C ATOM 645 OH TYR A 44 8.055 -3.492 6.800 1.00 0.00 O ATOM 0 H TYR A 44 6.085 -0.698 1.523 1.00 0.00 H new ATOM 0 HA TYR A 44 8.553 -1.869 0.715 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.756 -2.972 1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.138 -3.979 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.319 -3.069 2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.110 -3.279 3.322 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.837 -3.246 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.619 -3.502 5.743 1.00 0.00 H new ATOM 0 HH TYR A 44 7.223 -3.569 7.313 1.00 0.00 H new ATOM 655 N PHE A 45 6.176 -1.765 -1.614 1.00 0.00 N ATOM 656 CA PHE A 45 6.004 -1.852 -3.073 1.00 0.00 C ATOM 657 C PHE A 45 7.122 -1.125 -3.841 1.00 0.00 C ATOM 658 O PHE A 45 7.760 -1.708 -4.722 1.00 0.00 O ATOM 659 CB PHE A 45 4.638 -1.288 -3.506 1.00 0.00 C ATOM 660 CG PHE A 45 3.412 -2.083 -3.101 1.00 0.00 C ATOM 661 CD1 PHE A 45 3.343 -3.471 -3.324 1.00 0.00 C ATOM 662 CD2 PHE A 45 2.322 -1.429 -2.502 1.00 0.00 C ATOM 663 CE1 PHE A 45 2.257 -4.211 -2.825 1.00 0.00 C ATOM 664 CE2 PHE A 45 1.272 -2.175 -1.952 1.00 0.00 C ATOM 665 CZ PHE A 45 1.262 -3.572 -2.064 1.00 0.00 C ATOM 0 H PHE A 45 5.341 -1.462 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 45 6.056 -2.912 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.541 -0.282 -3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.638 -1.193 -4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.125 -3.968 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.294 -0.350 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.187 -5.270 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.466 -1.671 -1.439 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.497 -4.153 -1.570 1.00 0.00 H new ATOM 675 N LEU A 46 7.390 0.135 -3.483 1.00 0.00 N ATOM 676 CA LEU A 46 8.456 0.941 -4.080 1.00 0.00 C ATOM 677 C LEU A 46 9.858 0.437 -3.712 1.00 0.00 C ATOM 678 O LEU A 46 10.721 0.395 -4.585 1.00 0.00 O ATOM 679 CB LEU A 46 8.271 2.420 -3.697 1.00 0.00 C ATOM 680 CG LEU A 46 6.955 3.047 -4.201 1.00 0.00 C ATOM 681 CD1 LEU A 46 6.846 4.484 -3.692 1.00 0.00 C ATOM 682 CD2 LEU A 46 6.856 3.085 -5.730 1.00 0.00 C ATOM 0 H LEU A 46 6.865 0.629 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 46 8.377 0.842 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.310 2.510 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.108 2.993 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 46 6.149 2.419 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.916 4.927 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.854 4.486 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.690 5.066 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.908 3.537 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.679 3.675 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.910 2.070 -6.123 1.00 0.00 H new ATOM 694 N HIS A 47 10.109 0.006 -2.471 1.00 0.00 N ATOM 695 CA HIS A 47 11.430 -0.511 -2.078 1.00 0.00 C ATOM 696 C HIS A 47 11.802 -1.799 -2.842 1.00 0.00 C ATOM 697 O HIS A 47 12.978 -2.030 -3.130 1.00 0.00 O ATOM 698 CB HIS A 47 11.482 -0.709 -0.553 1.00 0.00 C ATOM 699 CG HIS A 47 12.860 -0.917 0.040 1.00 0.00 C ATOM 700 ND1 HIS A 47 14.011 -1.285 -0.625 1.00 0.00 N ATOM 701 CD2 HIS A 47 13.192 -0.748 1.358 1.00 0.00 C ATOM 702 CE1 HIS A 47 15.015 -1.337 0.265 1.00 0.00 C ATOM 703 NE2 HIS A 47 14.562 -1.018 1.491 1.00 0.00 N ATOM 0 H HIS A 47 9.418 0.004 -1.721 1.00 0.00 H new ATOM 0 HA HIS A 47 12.182 0.228 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.031 0.162 -0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.863 -1.569 -0.296 1.00 0.00 H new ATOM 0 HD1 HIS A 47 14.087 -1.484 -1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.520 -0.459 2.152 1.00 0.00 H new ATOM 0 HE1 HIS A 47 16.037 -1.597 0.031 1.00 0.00 H new ATOM 711 N VAL A 48 10.818 -2.617 -3.228 1.00 0.00 N ATOM 712 CA VAL A 48 11.022 -3.780 -4.102 1.00 0.00 C ATOM 713 C VAL A 48 11.254 -3.337 -5.551 1.00 0.00 C ATOM 714 O VAL A 48 12.314 -3.598 -6.116 1.00 0.00 O ATOM 715 CB VAL A 48 9.838 -4.763 -3.987 1.00 0.00 C ATOM 716 CG1 VAL A 48 9.965 -5.949 -4.953 1.00 0.00 C ATOM 717 CG2 VAL A 48 9.759 -5.339 -2.566 1.00 0.00 C ATOM 0 H VAL A 48 9.848 -2.491 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 48 11.918 -4.307 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 48 8.944 -4.191 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.107 -6.610 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.998 -5.581 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.881 -6.499 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.919 -6.031 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.684 -5.868 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.618 -4.528 -1.852 1.00 0.00 H new ATOM 727 N VAL A 49 10.292 -2.642 -6.167 1.00 0.00 N ATOM 728 CA VAL A 49 10.305 -2.362 -7.617 1.00 0.00 C ATOM 729 C VAL A 49 11.274 -1.255 -8.059 1.00 0.00 C ATOM 730 O VAL A 49 11.866 -1.371 -9.133 1.00 0.00 O ATOM 731 CB VAL A 49 8.861 -2.135 -8.108 1.00 0.00 C ATOM 732 CG1 VAL A 49 8.762 -1.576 -9.528 1.00 0.00 C ATOM 733 CG2 VAL A 49 8.133 -3.489 -8.082 1.00 0.00 C ATOM 0 H VAL A 49 9.482 -2.256 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 49 10.715 -3.246 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 49 8.415 -1.394 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.713 -1.446 -9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.271 -0.613 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.231 -2.270 -10.226 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.107 -3.357 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.648 -4.191 -8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.128 -3.880 -7.064 1.00 0.00 H new ATOM 743 N LYS A 50 11.517 -0.213 -7.255 1.00 0.00 N ATOM 744 CA LYS A 50 12.471 0.867 -7.601 1.00 0.00 C ATOM 745 C LYS A 50 13.939 0.389 -7.637 1.00 0.00 C ATOM 746 O LYS A 50 14.781 1.038 -8.260 1.00 0.00 O ATOM 747 CB LYS A 50 12.265 2.048 -6.632 1.00 0.00 C ATOM 748 CG LYS A 50 12.814 3.390 -7.146 1.00 0.00 C ATOM 749 CD LYS A 50 12.879 4.472 -6.056 1.00 0.00 C ATOM 750 CE LYS A 50 11.534 4.685 -5.351 1.00 0.00 C ATOM 751 NZ LYS A 50 11.585 5.843 -4.419 1.00 0.00 N ATOM 0 H LYS A 50 11.065 -0.088 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 50 12.261 1.197 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.199 2.157 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.745 1.812 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.812 3.235 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.186 3.744 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.631 4.193 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.203 5.412 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.754 4.849 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.264 3.784 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.660 5.959 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.313 5.674 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.818 6.706 -4.950 1.00 0.00 H new ATOM 765 N TYR A 51 14.241 -0.753 -7.010 1.00 0.00 N ATOM 766 CA TYR A 51 15.603 -1.252 -6.767 1.00 0.00 C ATOM 767 C TYR A 51 15.876 -2.652 -7.354 1.00 0.00 C ATOM 768 O TYR A 51 16.972 -2.900 -7.858 1.00 0.00 O ATOM 769 CB TYR A 51 15.868 -1.258 -5.251 1.00 0.00 C ATOM 770 CG TYR A 51 15.765 0.093 -4.558 1.00 0.00 C ATOM 771 CD1 TYR A 51 14.506 0.606 -4.185 1.00 0.00 C ATOM 772 CD2 TYR A 51 16.928 0.835 -4.269 1.00 0.00 C ATOM 773 CE1 TYR A 51 14.400 1.847 -3.533 1.00 0.00 C ATOM 774 CE2 TYR A 51 16.830 2.077 -3.609 1.00 0.00 C ATOM 775 CZ TYR A 51 15.566 2.587 -3.236 1.00 0.00 C ATOM 776 OH TYR A 51 15.482 3.787 -2.599 1.00 0.00 O ATOM 0 H TYR A 51 13.522 -1.377 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 51 16.284 -0.577 -7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.162 -1.942 -4.780 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.866 -1.660 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.613 0.039 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 51 17.897 0.451 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.429 2.234 -3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 51 17.724 2.641 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 51 16.382 4.155 -2.475 1.00 0.00 H new ATOM 786 N GLU A 52 14.903 -3.571 -7.305 1.00 0.00 N ATOM 787 CA GLU A 52 15.055 -5.005 -7.615 1.00 0.00 C ATOM 788 C GLU A 52 13.905 -5.569 -8.481 1.00 0.00 C ATOM 789 O GLU A 52 13.476 -6.714 -8.311 1.00 0.00 O ATOM 790 CB GLU A 52 15.211 -5.799 -6.295 1.00 0.00 C ATOM 791 CG GLU A 52 16.426 -5.423 -5.427 1.00 0.00 C ATOM 792 CD GLU A 52 17.796 -5.679 -6.096 1.00 0.00 C ATOM 793 OE1 GLU A 52 17.912 -6.557 -6.987 1.00 0.00 O ATOM 794 OE2 GLU A 52 18.794 -5.032 -5.690 1.00 0.00 O ATOM 0 H GLU A 52 13.949 -3.330 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 52 15.954 -5.119 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.307 -5.661 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.275 -6.860 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.356 -4.368 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.380 -5.987 -4.496 1.00 0.00 H new ATOM 801 N ALA A 53 13.395 -4.777 -9.432 1.00 0.00 N ATOM 802 CA ALA A 53 12.397 -5.218 -10.412 1.00 0.00 C ATOM 803 C ALA A 53 12.835 -6.460 -11.223 1.00 0.00 C ATOM 804 O ALA A 53 14.015 -6.639 -11.542 1.00 0.00 O ATOM 805 CB ALA A 53 12.091 -4.049 -11.354 1.00 0.00 C ATOM 0 H ALA A 53 13.668 -3.800 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 53 11.506 -5.522 -9.863 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.350 -4.360 -12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.701 -3.210 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.004 -3.745 -11.865 1.00 0.00 H new ATOM 811 N GLN A 54 11.861 -7.295 -11.597 1.00 0.00 N ATOM 812 CA GLN A 54 11.984 -8.518 -12.406 1.00 0.00 C ATOM 813 C GLN A 54 10.772 -8.657 -13.350 1.00 0.00 C ATOM 814 O GLN A 54 9.730 -8.037 -13.120 1.00 0.00 O ATOM 815 CB GLN A 54 12.078 -9.755 -11.487 1.00 0.00 C ATOM 816 CG GLN A 54 13.364 -9.862 -10.649 1.00 0.00 C ATOM 817 CD GLN A 54 14.607 -10.150 -11.492 1.00 0.00 C ATOM 818 OE1 GLN A 54 14.961 -11.292 -11.759 1.00 0.00 O ATOM 819 NE2 GLN A 54 15.321 -9.141 -11.943 1.00 0.00 N ATOM 0 H GLN A 54 10.893 -7.124 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 54 12.892 -8.450 -13.005 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.224 -9.749 -10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.991 -10.650 -12.102 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.512 -8.932 -10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.243 -10.653 -9.908 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.041 -8.183 -11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.154 -9.317 -12.505 1.00 0.00 H new ATOM 828 N GLY A 55 10.892 -9.466 -14.410 1.00 0.00 N ATOM 829 CA GLY A 55 9.775 -9.804 -15.312 1.00 0.00 C ATOM 830 C GLY A 55 9.392 -8.707 -16.317 1.00 0.00 C ATOM 831 O GLY A 55 8.244 -8.653 -16.757 1.00 0.00 O ATOM 0 H GLY A 55 11.773 -9.910 -14.671 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.036 -10.706 -15.865 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.900 -10.042 -14.707 1.00 0.00 H new ATOM 835 N ASP A 56 10.336 -7.828 -16.669 1.00 0.00 N ATOM 836 CA ASP A 56 10.189 -6.644 -17.534 1.00 0.00 C ATOM 837 C ASP A 56 8.940 -5.791 -17.215 1.00 0.00 C ATOM 838 O ASP A 56 8.990 -4.979 -16.291 1.00 0.00 O ATOM 839 CB ASP A 56 10.325 -7.053 -19.011 1.00 0.00 C ATOM 840 CG ASP A 56 10.342 -5.834 -19.948 1.00 0.00 C ATOM 841 OD1 ASP A 56 11.272 -4.998 -19.841 1.00 0.00 O ATOM 842 OD2 ASP A 56 9.425 -5.708 -20.794 1.00 0.00 O ATOM 0 H ASP A 56 11.294 -7.929 -16.334 1.00 0.00 H new ATOM 0 HA ASP A 56 11.009 -5.960 -17.314 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.242 -7.626 -19.145 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.497 -7.708 -19.283 1.00 0.00 H new ATOM 847 N LYS A 57 7.815 -5.973 -17.925 1.00 0.00 N ATOM 848 CA LYS A 57 6.542 -5.253 -17.714 1.00 0.00 C ATOM 849 C LYS A 57 5.903 -5.514 -16.339 1.00 0.00 C ATOM 850 O LYS A 57 5.158 -4.666 -15.847 1.00 0.00 O ATOM 851 CB LYS A 57 5.585 -5.622 -18.867 1.00 0.00 C ATOM 852 CG LYS A 57 4.190 -4.962 -18.835 1.00 0.00 C ATOM 853 CD LYS A 57 4.181 -3.422 -18.826 1.00 0.00 C ATOM 854 CE LYS A 57 4.840 -2.769 -20.049 1.00 0.00 C ATOM 855 NZ LYS A 57 4.091 -3.028 -21.308 1.00 0.00 N ATOM 0 H LYS A 57 7.761 -6.648 -18.688 1.00 0.00 H new ATOM 0 HA LYS A 57 6.750 -4.183 -17.718 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.066 -5.359 -19.809 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.452 -6.704 -18.868 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.626 -5.305 -19.702 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.661 -5.315 -17.950 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.149 -3.079 -18.760 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.690 -3.075 -17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.912 -1.693 -19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.858 -3.144 -20.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.577 -2.566 -22.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.044 -4.053 -21.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.127 -2.647 -21.223 1.00 0.00 H new ATOM 869 N ALA A 58 6.210 -6.640 -15.690 1.00 0.00 N ATOM 870 CA ALA A 58 5.591 -7.085 -14.434 1.00 0.00 C ATOM 871 C ALA A 58 5.657 -6.064 -13.275 1.00 0.00 C ATOM 872 O ALA A 58 4.766 -6.050 -12.422 1.00 0.00 O ATOM 873 CB ALA A 58 6.243 -8.408 -14.031 1.00 0.00 C ATOM 0 H ALA A 58 6.918 -7.289 -16.033 1.00 0.00 H new ATOM 0 HA ALA A 58 4.524 -7.202 -14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.802 -8.762 -13.100 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.079 -9.148 -14.815 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.314 -8.258 -13.891 1.00 0.00 H new ATOM 879 N LYS A 59 6.646 -5.156 -13.280 1.00 0.00 N ATOM 880 CA LYS A 59 6.754 -3.994 -12.372 1.00 0.00 C ATOM 881 C LYS A 59 5.474 -3.151 -12.280 1.00 0.00 C ATOM 882 O LYS A 59 5.156 -2.622 -11.215 1.00 0.00 O ATOM 883 CB LYS A 59 7.962 -3.130 -12.785 1.00 0.00 C ATOM 884 CG LYS A 59 7.853 -2.521 -14.196 1.00 0.00 C ATOM 885 CD LYS A 59 9.062 -1.651 -14.577 1.00 0.00 C ATOM 886 CE LYS A 59 10.363 -2.456 -14.694 1.00 0.00 C ATOM 887 NZ LYS A 59 11.498 -1.600 -15.131 1.00 0.00 N ATOM 0 H LYS A 59 7.423 -5.209 -13.939 1.00 0.00 H new ATOM 0 HA LYS A 59 6.904 -4.389 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.081 -2.323 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.864 -3.739 -12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.749 -3.325 -14.924 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.947 -1.918 -14.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.861 -1.154 -15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.191 -0.869 -13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.598 -2.910 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.225 -3.270 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.361 -2.176 -15.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.283 -1.186 -16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.645 -0.838 -14.439 1.00 0.00 H new ATOM 901 N GLN A 60 4.711 -3.062 -13.373 1.00 0.00 N ATOM 902 CA GLN A 60 3.462 -2.307 -13.467 1.00 0.00 C ATOM 903 C GLN A 60 2.360 -2.834 -12.528 1.00 0.00 C ATOM 904 O GLN A 60 1.479 -2.064 -12.147 1.00 0.00 O ATOM 905 CB GLN A 60 3.023 -2.290 -14.943 1.00 0.00 C ATOM 906 CG GLN A 60 1.801 -1.409 -15.258 1.00 0.00 C ATOM 907 CD GLN A 60 1.938 0.045 -14.801 1.00 0.00 C ATOM 908 OE1 GLN A 60 3.013 0.629 -14.761 1.00 0.00 O ATOM 909 NE2 GLN A 60 0.854 0.695 -14.434 1.00 0.00 N ATOM 0 H GLN A 60 4.956 -3.530 -14.246 1.00 0.00 H new ATOM 0 HA GLN A 60 3.638 -1.287 -13.124 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.862 -1.949 -15.550 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.802 -3.312 -15.250 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.624 -1.424 -16.333 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.922 -1.845 -14.784 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.053 0.229 -14.459 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.921 1.665 -14.125 1.00 0.00 H new ATOM 918 N SER A 61 2.444 -4.097 -12.081 1.00 0.00 N ATOM 919 CA SER A 61 1.550 -4.679 -11.069 1.00 0.00 C ATOM 920 C SER A 61 1.485 -3.824 -9.803 1.00 0.00 C ATOM 921 O SER A 61 0.387 -3.471 -9.366 1.00 0.00 O ATOM 922 CB SER A 61 1.981 -6.109 -10.715 1.00 0.00 C ATOM 923 OG SER A 61 1.135 -6.645 -9.705 1.00 0.00 O ATOM 0 H SER A 61 3.148 -4.753 -12.419 1.00 0.00 H new ATOM 0 HA SER A 61 0.552 -4.707 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.941 -6.738 -11.604 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.015 -6.109 -10.370 1.00 0.00 H new ATOM 0 HG SER A 61 1.420 -7.558 -9.490 1.00 0.00 H new ATOM 929 N ILE A 62 2.632 -3.466 -9.207 1.00 0.00 N ATOM 930 CA ILE A 62 2.628 -2.612 -8.010 1.00 0.00 C ATOM 931 C ILE A 62 2.292 -1.168 -8.348 1.00 0.00 C ATOM 932 O ILE A 62 1.567 -0.542 -7.583 1.00 0.00 O ATOM 933 CB ILE A 62 3.883 -2.732 -7.115 1.00 0.00 C ATOM 934 CG1 ILE A 62 5.089 -1.830 -7.460 1.00 0.00 C ATOM 935 CG2 ILE A 62 4.341 -4.197 -6.994 1.00 0.00 C ATOM 936 CD1 ILE A 62 4.934 -0.351 -7.070 1.00 0.00 C ATOM 0 H ILE A 62 3.559 -3.748 -9.527 1.00 0.00 H new ATOM 0 HA ILE A 62 1.823 -3.007 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 62 3.531 -2.348 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.974 -2.229 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.271 -1.889 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.225 -4.250 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.542 -4.793 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.581 -4.586 -7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.833 0.196 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.073 0.073 -7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.787 -0.272 -5.993 1.00 0.00 H new ATOM 948 N ARG A 63 2.757 -0.633 -9.486 1.00 0.00 N ATOM 949 CA ARG A 63 2.519 0.778 -9.848 1.00 0.00 C ATOM 950 C ARG A 63 1.022 1.085 -9.968 1.00 0.00 C ATOM 951 O ARG A 63 0.568 2.139 -9.525 1.00 0.00 O ATOM 952 CB ARG A 63 3.258 1.152 -11.145 1.00 0.00 C ATOM 953 CG ARG A 63 4.784 0.998 -11.031 1.00 0.00 C ATOM 954 CD ARG A 63 5.511 1.423 -12.315 1.00 0.00 C ATOM 955 NE ARG A 63 5.541 2.892 -12.472 1.00 0.00 N ATOM 956 CZ ARG A 63 4.955 3.642 -13.388 1.00 0.00 C ATOM 957 NH1 ARG A 63 4.176 3.159 -14.315 1.00 0.00 N ATOM 958 NH2 ARG A 63 5.144 4.931 -13.392 1.00 0.00 N ATOM 0 H ARG A 63 3.301 -1.154 -10.174 1.00 0.00 H new ATOM 0 HA ARG A 63 2.920 1.391 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.894 0.524 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.021 2.183 -11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.146 1.598 -10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.026 -0.041 -10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.531 1.039 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.016 0.976 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 63 6.090 3.397 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.994 2.156 -14.357 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.748 3.784 -14.999 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.744 5.361 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.692 5.511 -14.099 1.00 0.00 H new ATOM 972 N ALA A 64 0.249 0.129 -10.488 1.00 0.00 N ATOM 973 CA ALA A 64 -1.210 0.170 -10.573 1.00 0.00 C ATOM 974 C ALA A 64 -1.942 0.173 -9.209 1.00 0.00 C ATOM 975 O ALA A 64 -3.108 0.573 -9.164 1.00 0.00 O ATOM 976 CB ALA A 64 -1.661 -1.022 -11.428 1.00 0.00 C ATOM 0 H ALA A 64 0.640 -0.729 -10.877 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.484 1.123 -11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.748 -1.020 -11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.221 -0.944 -12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.335 -1.950 -10.959 1.00 0.00 H new ATOM 982 N LYS A 65 -1.286 -0.230 -8.104 1.00 0.00 N ATOM 983 CA LYS A 65 -1.869 -0.270 -6.745 1.00 0.00 C ATOM 984 C LYS A 65 -1.252 0.718 -5.748 1.00 0.00 C ATOM 985 O LYS A 65 -1.989 1.399 -5.038 1.00 0.00 O ATOM 986 CB LYS A 65 -2.005 -1.703 -6.213 1.00 0.00 C ATOM 987 CG LYS A 65 -0.687 -2.445 -5.990 1.00 0.00 C ATOM 988 CD LYS A 65 -0.933 -3.856 -5.425 1.00 0.00 C ATOM 989 CE LYS A 65 0.032 -4.870 -6.041 1.00 0.00 C ATOM 990 NZ LYS A 65 -0.408 -5.326 -7.389 1.00 0.00 N ATOM 0 H LYS A 65 -0.316 -0.544 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.886 0.107 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.550 -1.672 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.612 -2.277 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.143 -2.517 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.059 -1.879 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.811 -3.844 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.961 -4.158 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.024 -4.424 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.120 -5.732 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.132 -6.171 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.422 -5.556 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.242 -4.569 -8.083 1.00 0.00 H new ATOM 1004 N CYS A 66 0.070 0.896 -5.736 1.00 0.00 N ATOM 1005 CA CYS A 66 0.743 1.870 -4.870 1.00 0.00 C ATOM 1006 C CYS A 66 0.211 3.298 -5.084 1.00 0.00 C ATOM 1007 O CYS A 66 -0.056 4.005 -4.114 1.00 0.00 O ATOM 1008 CB CYS A 66 2.269 1.743 -5.018 1.00 0.00 C ATOM 1009 SG CYS A 66 2.903 2.524 -6.532 1.00 0.00 S ATOM 0 H CYS A 66 0.709 0.367 -6.329 1.00 0.00 H new ATOM 0 HA CYS A 66 0.507 1.642 -3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.751 2.197 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.542 0.688 -5.018 1.00 0.00 H new ATOM 0 HG CYS A 66 4.151 2.201 -6.697 1.00 0.00 H new ATOM 1015 N THR A 67 -0.045 3.669 -6.344 1.00 0.00 N ATOM 1016 CA THR A 67 -0.596 4.963 -6.776 1.00 0.00 C ATOM 1017 C THR A 67 -1.975 5.266 -6.180 1.00 0.00 C ATOM 1018 O THR A 67 -2.291 6.432 -5.944 1.00 0.00 O ATOM 1019 CB THR A 67 -0.674 5.014 -8.315 1.00 0.00 C ATOM 1020 OG1 THR A 67 0.613 4.852 -8.872 1.00 0.00 O ATOM 1021 CG2 THR A 67 -1.215 6.332 -8.870 1.00 0.00 C ATOM 0 H THR A 67 0.135 3.045 -7.131 1.00 0.00 H new ATOM 0 HA THR A 67 0.084 5.729 -6.403 1.00 0.00 H new ATOM 0 HB THR A 67 -1.359 4.210 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.734 3.920 -9.149 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.238 6.286 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.224 6.499 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.569 7.152 -8.555 1.00 0.00 H new ATOM 1029 N GLU A 68 -2.794 4.248 -5.890 1.00 0.00 N ATOM 1030 CA GLU A 68 -4.082 4.458 -5.209 1.00 0.00 C ATOM 1031 C GLU A 68 -3.935 4.428 -3.684 1.00 0.00 C ATOM 1032 O GLU A 68 -4.566 5.235 -3.006 1.00 0.00 O ATOM 1033 CB GLU A 68 -5.203 3.533 -5.722 1.00 0.00 C ATOM 1034 CG GLU A 68 -5.080 2.037 -5.409 1.00 0.00 C ATOM 1035 CD GLU A 68 -6.393 1.302 -5.740 1.00 0.00 C ATOM 1036 OE1 GLU A 68 -7.385 1.472 -4.990 1.00 0.00 O ATOM 1037 OE2 GLU A 68 -6.452 0.558 -6.749 1.00 0.00 O ATOM 0 H GLU A 68 -2.591 3.274 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.404 5.465 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.148 3.887 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.265 3.647 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.261 1.606 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.836 1.900 -4.356 1.00 0.00 H new ATOM 1044 N TYR A 69 -3.066 3.582 -3.121 1.00 0.00 N ATOM 1045 CA TYR A 69 -2.894 3.498 -1.666 1.00 0.00 C ATOM 1046 C TYR A 69 -2.353 4.798 -1.038 1.00 0.00 C ATOM 1047 O TYR A 69 -2.795 5.194 0.041 1.00 0.00 O ATOM 1048 CB TYR A 69 -1.956 2.327 -1.333 1.00 0.00 C ATOM 1049 CG TYR A 69 -2.407 0.943 -1.769 1.00 0.00 C ATOM 1050 CD1 TYR A 69 -3.755 0.547 -1.634 1.00 0.00 C ATOM 1051 CD2 TYR A 69 -1.460 0.037 -2.292 1.00 0.00 C ATOM 1052 CE1 TYR A 69 -4.168 -0.735 -2.045 1.00 0.00 C ATOM 1053 CE2 TYR A 69 -1.876 -1.246 -2.696 1.00 0.00 C ATOM 1054 CZ TYR A 69 -3.226 -1.635 -2.583 1.00 0.00 C ATOM 1055 OH TYR A 69 -3.606 -2.881 -2.980 1.00 0.00 O ATOM 0 H TYR A 69 -2.470 2.945 -3.651 1.00 0.00 H new ATOM 0 HA TYR A 69 -3.882 3.336 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.987 2.528 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.803 2.310 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.475 1.232 -1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.423 0.326 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.203 -1.028 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.152 -1.940 -3.097 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.828 -3.365 -3.327 1.00 0.00 H new ATOM 1065 N LEU A 70 -1.479 5.526 -1.740 1.00 0.00 N ATOM 1066 CA LEU A 70 -1.004 6.851 -1.313 1.00 0.00 C ATOM 1067 C LEU A 70 -2.070 7.958 -1.419 1.00 0.00 C ATOM 1068 O LEU A 70 -2.030 8.926 -0.660 1.00 0.00 O ATOM 1069 CB LEU A 70 0.296 7.202 -2.054 1.00 0.00 C ATOM 1070 CG LEU A 70 0.222 7.201 -3.592 1.00 0.00 C ATOM 1071 CD1 LEU A 70 -0.250 8.538 -4.157 1.00 0.00 C ATOM 1072 CD2 LEU A 70 1.603 6.859 -4.150 1.00 0.00 C ATOM 0 H LEU A 70 -1.078 5.214 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.789 6.792 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.621 8.190 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.067 6.495 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.513 6.454 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.284 8.482 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.245 8.764 -3.774 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.442 9.325 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.564 6.855 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.325 7.604 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.906 5.874 -3.794 1.00 0.00 H new ATOM 1084 N ASP A 71 -3.036 7.814 -2.331 1.00 0.00 N ATOM 1085 CA ASP A 71 -4.117 8.781 -2.558 1.00 0.00 C ATOM 1086 C ASP A 71 -5.273 8.557 -1.571 1.00 0.00 C ATOM 1087 O ASP A 71 -5.822 9.504 -1.005 1.00 0.00 O ATOM 1088 CB ASP A 71 -4.600 8.648 -4.011 1.00 0.00 C ATOM 1089 CG ASP A 71 -5.731 9.636 -4.341 1.00 0.00 C ATOM 1090 OD1 ASP A 71 -5.438 10.822 -4.624 1.00 0.00 O ATOM 1091 OD2 ASP A 71 -6.915 9.223 -4.347 1.00 0.00 O ATOM 0 H ASP A 71 -3.090 7.003 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.743 9.791 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.762 8.819 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.948 7.630 -4.185 1.00 0.00 H new ATOM 1096 N ARG A 72 -5.597 7.283 -1.316 1.00 0.00 N ATOM 1097 CA ARG A 72 -6.661 6.844 -0.388 1.00 0.00 C ATOM 1098 C ARG A 72 -6.438 7.292 1.058 1.00 0.00 C ATOM 1099 O ARG A 72 -7.407 7.590 1.757 1.00 0.00 O ATOM 1100 CB ARG A 72 -6.851 5.332 -0.464 1.00 0.00 C ATOM 1101 CG ARG A 72 -7.661 4.968 -1.718 1.00 0.00 C ATOM 1102 CD ARG A 72 -8.040 3.500 -1.606 1.00 0.00 C ATOM 1103 NE ARG A 72 -8.544 2.942 -2.874 1.00 0.00 N ATOM 1104 CZ ARG A 72 -9.767 2.953 -3.366 1.00 0.00 C ATOM 1105 NH1 ARG A 72 -10.768 3.540 -2.773 1.00 0.00 N ATOM 1106 NH2 ARG A 72 -9.981 2.348 -4.494 1.00 0.00 N ATOM 0 H ARG A 72 -5.115 6.502 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.574 7.339 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.881 4.836 -0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.366 4.976 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.553 5.590 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.073 5.145 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.170 2.928 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.802 3.384 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.845 2.480 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.624 4.021 -1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.695 3.519 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.213 1.880 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.917 2.340 -4.899 1.00 0.00 H new ATOM 1120 N ALA A 73 -5.184 7.431 1.489 1.00 0.00 N ATOM 1121 CA ALA A 73 -4.844 7.982 2.799 1.00 0.00 C ATOM 1122 C ALA A 73 -5.325 9.439 2.984 1.00 0.00 C ATOM 1123 O ALA A 73 -5.739 9.814 4.080 1.00 0.00 O ATOM 1124 CB ALA A 73 -3.332 7.873 2.999 1.00 0.00 C ATOM 0 H ALA A 73 -4.371 7.162 0.935 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.367 7.401 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.064 8.281 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.033 6.826 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.820 8.434 2.217 1.00 0.00 H new ATOM 1130 N GLU A 74 -5.334 10.264 1.931 1.00 0.00 N ATOM 1131 CA GLU A 74 -5.796 11.661 2.016 1.00 0.00 C ATOM 1132 C GLU A 74 -7.310 11.784 2.265 1.00 0.00 C ATOM 1133 O GLU A 74 -7.757 12.793 2.817 1.00 0.00 O ATOM 1134 CB GLU A 74 -5.398 12.458 0.761 1.00 0.00 C ATOM 1135 CG GLU A 74 -3.876 12.535 0.573 1.00 0.00 C ATOM 1136 CD GLU A 74 -3.502 13.538 -0.536 1.00 0.00 C ATOM 1137 OE1 GLU A 74 -3.436 14.761 -0.256 1.00 0.00 O ATOM 1138 OE2 GLU A 74 -3.258 13.117 -1.693 1.00 0.00 O ATOM 0 H GLU A 74 -5.024 9.988 0.999 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.294 12.088 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.847 11.994 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.804 13.467 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.406 12.833 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.488 11.548 0.321 1.00 0.00 H new ATOM 1145 N LYS A 75 -8.108 10.756 1.934 1.00 0.00 N ATOM 1146 CA LYS A 75 -9.534 10.684 2.299 1.00 0.00 C ATOM 1147 C LYS A 75 -9.726 10.416 3.793 1.00 0.00 C ATOM 1148 O LYS A 75 -10.587 11.040 4.411 1.00 0.00 O ATOM 1149 CB LYS A 75 -10.233 9.623 1.428 1.00 0.00 C ATOM 1150 CG LYS A 75 -11.744 9.434 1.661 1.00 0.00 C ATOM 1151 CD LYS A 75 -12.618 10.637 1.275 1.00 0.00 C ATOM 1152 CE LYS A 75 -12.827 11.617 2.438 1.00 0.00 C ATOM 1153 NZ LYS A 75 -13.821 12.669 2.110 1.00 0.00 N ATOM 0 H LYS A 75 -7.782 9.948 1.404 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.995 11.652 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.079 9.884 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.739 8.665 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.078 8.565 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.908 9.209 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.155 11.164 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.588 10.280 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.159 11.068 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.876 12.084 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.881 13.347 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.527 13.167 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.752 12.232 1.958 1.00 0.00 H new ATOM 1167 N LEU A 76 -8.889 9.567 4.400 1.00 0.00 N ATOM 1168 CA LEU A 76 -8.929 9.327 5.846 1.00 0.00 C ATOM 1169 C LEU A 76 -8.664 10.585 6.674 1.00 0.00 C ATOM 1170 O LEU A 76 -9.267 10.719 7.738 1.00 0.00 O ATOM 1171 CB LEU A 76 -7.957 8.204 6.269 1.00 0.00 C ATOM 1172 CG LEU A 76 -8.440 6.739 6.220 1.00 0.00 C ATOM 1173 CD1 LEU A 76 -9.923 6.549 5.940 1.00 0.00 C ATOM 1174 CD2 LEU A 76 -7.647 5.929 5.201 1.00 0.00 C ATOM 0 H LEU A 76 -8.172 9.032 3.909 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.950 9.008 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.072 8.280 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.639 8.412 7.291 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.265 6.377 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.157 5.485 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.506 7.039 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.170 6.987 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.011 4.902 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.771 6.368 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.591 5.937 5.472 1.00 0.00 H new ATOM 1186 N LYS A 77 -7.823 11.517 6.202 1.00 0.00 N ATOM 1187 CA LYS A 77 -7.416 12.728 6.950 1.00 0.00 C ATOM 1188 C LYS A 77 -8.587 13.577 7.464 1.00 0.00 C ATOM 1189 O LYS A 77 -8.422 14.312 8.435 1.00 0.00 O ATOM 1190 CB LYS A 77 -6.470 13.594 6.096 1.00 0.00 C ATOM 1191 CG LYS A 77 -5.086 12.974 5.838 1.00 0.00 C ATOM 1192 CD LYS A 77 -4.219 12.902 7.104 1.00 0.00 C ATOM 1193 CE LYS A 77 -2.790 12.476 6.744 1.00 0.00 C ATOM 1194 NZ LYS A 77 -1.901 12.480 7.936 1.00 0.00 N ATOM 0 H LYS A 77 -7.397 11.455 5.277 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.897 12.364 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.948 13.793 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.335 14.556 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.213 11.970 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.566 13.560 5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.203 13.873 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.651 12.192 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.807 11.478 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.388 13.150 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.943 12.187 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.866 13.438 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.271 11.818 8.647 1.00 0.00 H new ATOM 1208 N GLU A 78 -9.771 13.440 6.870 1.00 0.00 N ATOM 1209 CA GLU A 78 -11.014 14.062 7.332 1.00 0.00 C ATOM 1210 C GLU A 78 -11.434 13.646 8.752 1.00 0.00 C ATOM 1211 O GLU A 78 -11.904 14.489 9.521 1.00 0.00 O ATOM 1212 CB GLU A 78 -12.126 13.749 6.315 1.00 0.00 C ATOM 1213 CG GLU A 78 -13.471 14.404 6.669 1.00 0.00 C ATOM 1214 CD GLU A 78 -14.557 14.135 5.608 1.00 0.00 C ATOM 1215 OE1 GLU A 78 -14.266 14.194 4.387 1.00 0.00 O ATOM 1216 OE2 GLU A 78 -15.730 13.889 5.985 1.00 0.00 O ATOM 0 H GLU A 78 -9.897 12.877 6.029 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.838 15.136 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.813 14.088 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.260 12.669 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.811 14.030 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.331 15.480 6.776 1.00 0.00 H new ATOM 1223 N TYR A 79 -11.246 12.375 9.112 1.00 0.00 N ATOM 1224 CA TYR A 79 -11.678 11.796 10.392 1.00 0.00 C ATOM 1225 C TYR A 79 -10.499 11.310 11.246 1.00 0.00 C ATOM 1226 O TYR A 79 -10.555 11.419 12.472 1.00 0.00 O ATOM 1227 CB TYR A 79 -12.691 10.655 10.188 1.00 0.00 C ATOM 1228 CG TYR A 79 -13.091 10.341 8.760 1.00 0.00 C ATOM 1229 CD1 TYR A 79 -12.247 9.547 7.959 1.00 0.00 C ATOM 1230 CD2 TYR A 79 -14.302 10.841 8.243 1.00 0.00 C ATOM 1231 CE1 TYR A 79 -12.642 9.228 6.644 1.00 0.00 C ATOM 1232 CE2 TYR A 79 -14.687 10.534 6.924 1.00 0.00 C ATOM 1233 CZ TYR A 79 -13.858 9.720 6.122 1.00 0.00 C ATOM 1234 OH TYR A 79 -14.227 9.405 4.850 1.00 0.00 O ATOM 0 H TYR A 79 -10.777 11.700 8.508 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.169 12.603 10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.276 9.750 10.631 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.594 10.899 10.748 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.307 9.186 8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.936 11.461 8.859 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.010 8.603 6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.614 10.920 6.527 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.090 9.823 4.647 1.00 0.00 H new ATOM 1244 N LEU A 80 -9.424 10.819 10.609 1.00 0.00 N ATOM 1245 CA LEU A 80 -8.146 10.467 11.234 1.00 0.00 C ATOM 1246 C LEU A 80 -7.658 11.560 12.214 1.00 0.00 C ATOM 1247 O LEU A 80 -7.378 11.275 13.381 1.00 0.00 O ATOM 1248 CB LEU A 80 -7.103 10.217 10.118 1.00 0.00 C ATOM 1249 CG LEU A 80 -6.025 9.155 10.414 1.00 0.00 C ATOM 1250 CD1 LEU A 80 -5.473 9.177 11.836 1.00 0.00 C ATOM 1251 CD2 LEU A 80 -6.584 7.762 10.116 1.00 0.00 C ATOM 0 H LEU A 80 -9.425 10.651 9.603 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.281 9.562 11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.634 9.922 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.603 11.161 9.900 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.186 9.402 9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.722 8.395 11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.018 10.147 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.284 9.005 12.544 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.822 7.012 10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.456 7.578 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.873 7.703 9.067 1.00 0.00 H new ATOM 1263 N LYS A 81 -7.605 12.807 11.712 1.00 0.00 N ATOM 1264 CA LYS A 81 -7.223 14.069 12.382 1.00 0.00 C ATOM 1265 C LYS A 81 -6.108 13.913 13.439 1.00 0.00 C ATOM 1266 O LYS A 81 -4.951 13.670 13.020 1.00 0.00 O ATOM 1267 CB LYS A 81 -8.500 14.762 12.911 1.00 0.00 C ATOM 1268 CG LYS A 81 -9.444 15.260 11.800 1.00 0.00 C ATOM 1269 CD LYS A 81 -8.956 16.579 11.170 1.00 0.00 C ATOM 1270 CE LYS A 81 -9.765 17.022 9.942 1.00 0.00 C ATOM 1271 NZ LYS A 81 -11.220 17.151 10.220 1.00 0.00 N ATOM 1272 OXT LYS A 81 -6.355 14.082 14.656 1.00 0.00 O ATOM 0 H LYS A 81 -7.851 12.975 10.736 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.757 14.721 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.042 14.065 13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.211 15.608 13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.525 14.497 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.443 15.404 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.997 17.366 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.911 16.467 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.382 17.979 9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.617 16.302 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.624 17.897 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.694 16.248 10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.362 17.399 11.220 1.00 0.00 H new TER 1286 LYS A 81