USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 705 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 53 ASN : amide:sc= -5.8! K(o=-14!,f=-1.5) USER MOD Set 1.2: A 54 GLN : amide:sc= -8.27! K(o=-14!,f=-1.5) USER MOD Set 2.1: A 37 TYR OH : rot -85:sc= 0.907 USER MOD Set 2.2: A 47 THR OG1 : rot -31:sc= 1.54 USER MOD Set 3.1: A 35 GLN : amide:sc= -1.81! C(o=-0.81!,f=-2.3!) USER MOD Set 3.2: A 94 TYR OH : rot 30:sc= 1 USER MOD Set 4.1: A 28 SER OG : rot -170:sc= -0.762! USER MOD Set 4.2: A 32 ASN : amide:sc= -3.39! K(o=-4.2!,f=-2.6) USER MOD Set 5.1: A 19 THR OG1 : rot 171:sc= 0.402 USER MOD Set 5.2: A 77 THR OG1 : rot -44:sc= 0.684 USER MOD Set 6.1: A 8 HIS : no HD1:sc= -2.08! C(o=-1.3!,f=-5!) USER MOD Set 6.2: A 9 SER OG : rot -37:sc= 0.738 USER MOD Set 7.1: A 6 GLN : amide:sc= -6.8! C(o=-6!,f=-5.8!) USER MOD Set 7.2: A 106 THR OG1 : rot 113:sc= 0.834 USER MOD Single : A 3 MET CE :methyl -151:sc= 0 (180deg=-0.00569) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0891 (180deg=-0.742) USER MOD Single : A 17 THR OG1 : rot 45:sc= 0.0153 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 25 SER OG : rot -46:sc= 1.13 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.36! C(o=-3.4!,f=-7.2!) USER MOD Single : A 39 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.53) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -33:sc= 0.815 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00182 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.702 USER MOD Single : A 72 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.178 (180deg=-0.871) USER MOD Single : A 83 THR OG1 : rot -30:sc= 0.243 USER MOD Single : A 89 TYR OH : rot -16:sc= 0.458 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 92 GLN : amide:sc= -0.477 K(o=-0.48,f=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.271 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.911 13.984 7.566 1.00 0.00 N ATOM 38 CA MET A 3 83.962 13.065 7.141 1.00 0.00 C ATOM 39 C MET A 3 83.427 11.639 7.099 1.00 0.00 C ATOM 40 O MET A 3 82.304 11.392 7.534 1.00 0.00 O ATOM 41 CB MET A 3 85.139 13.141 8.115 1.00 0.00 C ATOM 42 CG MET A 3 85.356 14.598 8.527 1.00 0.00 C ATOM 43 SD MET A 3 86.954 14.753 9.362 1.00 0.00 S ATOM 44 CE MET A 3 87.971 14.979 7.879 1.00 0.00 C ATOM 0 HA MET A 3 84.296 13.349 6.143 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.940 12.528 8.994 1.00 0.00 H new ATOM 0 HB3 MET A 3 86.040 12.745 7.647 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.327 15.244 7.650 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.554 14.924 9.189 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.974 14.594 8.064 1.00 0.00 H new ATOM 0 HE2 MET A 3 87.523 14.439 7.045 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.028 16.040 7.635 1.00 0.00 H new ATOM 54 N LEU A 4 84.207 10.725 6.527 1.00 0.00 N ATOM 55 CA LEU A 4 83.808 9.323 6.445 1.00 0.00 C ATOM 56 C LEU A 4 84.964 8.433 6.886 1.00 0.00 C ATOM 57 O LEU A 4 85.935 8.251 6.152 1.00 0.00 O ATOM 58 CB LEU A 4 83.390 8.956 5.017 1.00 0.00 C ATOM 59 CG LEU A 4 82.005 9.535 4.696 1.00 0.00 C ATOM 60 CD1 LEU A 4 82.075 11.039 4.394 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.388 8.774 3.520 1.00 0.00 C ATOM 0 H LEU A 4 85.117 10.930 6.114 1.00 0.00 H new ATOM 0 HA LEU A 4 82.954 9.169 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 4 84.124 9.338 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.372 7.872 4.904 1.00 0.00 H new ATOM 0 HG LEU A 4 81.372 9.413 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 4 81.075 11.412 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 4 82.475 11.566 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.725 11.208 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.405 9.187 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.032 8.871 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.287 7.720 3.781 1.00 0.00 H new ATOM 73 N THR A 5 84.858 7.888 8.094 1.00 0.00 N ATOM 74 CA THR A 5 85.910 7.035 8.626 1.00 0.00 C ATOM 75 C THR A 5 85.808 5.637 8.025 1.00 0.00 C ATOM 76 O THR A 5 84.762 4.995 8.109 1.00 0.00 O ATOM 77 CB THR A 5 85.786 6.944 10.150 1.00 0.00 C ATOM 78 OG1 THR A 5 85.469 8.228 10.669 1.00 0.00 O ATOM 79 CG2 THR A 5 87.105 6.475 10.775 1.00 0.00 C ATOM 0 H THR A 5 84.061 8.021 8.717 1.00 0.00 H new ATOM 0 HA THR A 5 86.876 7.467 8.365 1.00 0.00 H new ATOM 0 HB THR A 5 85.002 6.227 10.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.387 8.175 11.644 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.994 6.417 11.858 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.363 5.491 10.384 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.896 7.183 10.528 1.00 0.00 H new ATOM 87 N GLN A 6 86.905 5.158 7.446 1.00 0.00 N ATOM 88 CA GLN A 6 86.948 3.805 6.904 1.00 0.00 C ATOM 89 C GLN A 6 88.343 3.216 7.098 1.00 0.00 C ATOM 90 O GLN A 6 89.324 3.957 7.151 1.00 0.00 O ATOM 91 CB GLN A 6 86.584 3.844 5.412 1.00 0.00 C ATOM 92 CG GLN A 6 85.111 3.487 5.166 1.00 0.00 C ATOM 93 CD GLN A 6 84.896 3.030 3.726 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.841 2.626 3.049 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.686 2.993 3.242 1.00 0.00 N ATOM 0 H GLN A 6 87.772 5.684 7.341 1.00 0.00 H new ATOM 0 HA GLN A 6 86.229 3.175 7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.786 4.839 5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.221 3.148 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.804 2.698 5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.483 4.353 5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.902 3.328 3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.523 2.629 2.303 1.00 0.00 H new ATOM 104 N PRO A 7 88.468 1.923 6.957 1.00 0.00 N ATOM 105 CA PRO A 7 89.783 1.236 7.083 1.00 0.00 C ATOM 106 C PRO A 7 90.800 1.835 6.117 1.00 0.00 C ATOM 107 O PRO A 7 90.543 1.929 4.916 1.00 0.00 O ATOM 108 CB PRO A 7 89.496 -0.237 6.754 1.00 0.00 C ATOM 109 CG PRO A 7 88.027 -0.360 6.482 1.00 0.00 C ATOM 110 CD PRO A 7 87.357 0.961 6.876 1.00 0.00 C ATOM 0 HA PRO A 7 90.213 1.348 8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.074 -0.556 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.787 -0.879 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.852 -0.576 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.602 -1.187 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.618 1.268 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.836 0.874 7.830 1.00 0.00 H new ATOM 118 N HIS A 8 91.955 2.230 6.640 1.00 0.00 N ATOM 119 CA HIS A 8 92.986 2.820 5.796 1.00 0.00 C ATOM 120 C HIS A 8 93.368 1.847 4.683 1.00 0.00 C ATOM 121 O HIS A 8 93.394 2.209 3.507 1.00 0.00 O ATOM 122 CB HIS A 8 94.223 3.149 6.635 1.00 0.00 C ATOM 123 CG HIS A 8 94.501 2.015 7.583 1.00 0.00 C ATOM 124 ND1 HIS A 8 95.432 1.028 7.303 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.940 1.667 8.789 1.00 0.00 C ATOM 126 CE1 HIS A 8 95.438 0.169 8.336 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.545 0.507 9.269 1.00 0.00 N ATOM 0 H HIS A 8 92.199 2.154 7.628 1.00 0.00 H new ATOM 0 HA HIS A 8 92.597 3.737 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 8 95.083 3.314 5.986 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.063 4.072 7.192 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.151 2.210 9.288 1.00 0.00 H new ATOM 0 HE1 HIS A 8 96.087 -0.691 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 8 94.348 0.021 10.144 1.00 0.00 H new ATOM 135 N SER A 9 93.695 0.620 5.074 1.00 0.00 N ATOM 136 CA SER A 9 94.105 -0.394 4.110 1.00 0.00 C ATOM 137 C SER A 9 94.065 -1.775 4.754 1.00 0.00 C ATOM 138 O SER A 9 94.522 -1.955 5.883 1.00 0.00 O ATOM 139 CB SER A 9 95.522 -0.093 3.617 1.00 0.00 C ATOM 140 OG SER A 9 96.409 -0.040 4.724 1.00 0.00 O ATOM 0 H SER A 9 93.684 0.305 6.044 1.00 0.00 H new ATOM 0 HA SER A 9 93.418 -0.379 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.845 -0.862 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.537 0.855 3.080 1.00 0.00 H new ATOM 0 HG SER A 9 95.957 0.380 5.485 1.00 0.00 H new ATOM 146 N VAL A 10 93.517 -2.751 4.036 1.00 0.00 N ATOM 147 CA VAL A 10 93.414 -4.113 4.552 1.00 0.00 C ATOM 148 C VAL A 10 93.457 -5.120 3.407 1.00 0.00 C ATOM 149 O VAL A 10 93.135 -4.790 2.266 1.00 0.00 O ATOM 150 CB VAL A 10 92.108 -4.271 5.335 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.921 -3.959 4.421 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.978 -5.700 5.867 1.00 0.00 C ATOM 0 H VAL A 10 93.138 -2.625 3.097 1.00 0.00 H new ATOM 0 HA VAL A 10 94.258 -4.303 5.215 1.00 0.00 H new ATOM 0 HB VAL A 10 92.116 -3.578 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.992 -4.072 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 10 91.002 -2.935 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.922 -4.647 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.045 -5.798 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.979 -6.401 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.817 -5.920 6.527 1.00 0.00 H new ATOM 162 N SER A 11 93.884 -6.341 3.716 1.00 0.00 N ATOM 163 CA SER A 11 93.975 -7.407 2.723 1.00 0.00 C ATOM 164 C SER A 11 93.480 -8.721 3.321 1.00 0.00 C ATOM 165 O SER A 11 93.787 -9.045 4.468 1.00 0.00 O ATOM 166 CB SER A 11 95.428 -7.561 2.269 1.00 0.00 C ATOM 167 OG SER A 11 96.178 -8.196 3.292 1.00 0.00 O ATOM 0 H SER A 11 94.175 -6.618 4.654 1.00 0.00 H new ATOM 0 HA SER A 11 93.352 -7.151 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.473 -8.148 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.855 -6.584 2.043 1.00 0.00 H new ATOM 0 HG SER A 11 97.132 -8.154 3.072 1.00 0.00 H new ATOM 173 N GLU A 12 92.705 -9.468 2.540 1.00 0.00 N ATOM 174 CA GLU A 12 92.191 -10.767 2.967 1.00 0.00 C ATOM 175 C GLU A 12 92.499 -11.829 1.918 1.00 0.00 C ATOM 176 O GLU A 12 92.900 -11.516 0.797 1.00 0.00 O ATOM 177 CB GLU A 12 90.674 -10.696 3.177 1.00 0.00 C ATOM 178 CG GLU A 12 90.334 -10.130 4.558 1.00 0.00 C ATOM 179 CD GLU A 12 90.494 -8.613 4.566 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.943 -8.079 3.565 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.177 -8.008 5.578 1.00 0.00 O ATOM 0 H GLU A 12 92.417 -9.194 1.601 1.00 0.00 H new ATOM 0 HA GLU A 12 92.676 -11.033 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.226 -10.071 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.242 -11.691 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 12 89.311 -10.395 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.985 -10.575 5.311 1.00 0.00 H new ATOM 188 N SER A 13 92.412 -13.087 2.342 1.00 0.00 N ATOM 189 CA SER A 13 92.678 -14.208 1.448 1.00 0.00 C ATOM 190 C SER A 13 91.477 -14.469 0.541 1.00 0.00 C ATOM 191 O SER A 13 90.339 -14.259 0.963 1.00 0.00 O ATOM 192 CB SER A 13 93.000 -15.464 2.258 1.00 0.00 C ATOM 193 OG SER A 13 93.932 -15.131 3.276 1.00 0.00 O ATOM 0 H SER A 13 92.161 -13.354 3.294 1.00 0.00 H new ATOM 0 HA SER A 13 93.537 -13.955 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.090 -15.871 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.412 -16.236 1.608 1.00 0.00 H new ATOM 0 HG SER A 13 94.142 -15.931 3.801 1.00 0.00 H new ATOM 199 N PRO A 14 91.670 -14.898 -0.680 1.00 0.00 N ATOM 200 CA PRO A 14 90.521 -15.263 -1.560 1.00 0.00 C ATOM 201 C PRO A 14 89.685 -16.388 -0.954 1.00 0.00 C ATOM 202 O PRO A 14 90.156 -17.519 -0.836 1.00 0.00 O ATOM 203 CB PRO A 14 91.150 -15.689 -2.895 1.00 0.00 C ATOM 204 CG PRO A 14 92.635 -15.553 -2.763 1.00 0.00 C ATOM 205 CD PRO A 14 92.962 -15.248 -1.297 1.00 0.00 C ATOM 0 HA PRO A 14 89.834 -14.426 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 14 90.880 -16.718 -3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 14 90.780 -15.065 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.130 -16.471 -3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.002 -14.755 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.413 -16.111 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.674 -14.427 -1.215 1.00 0.00 H new ATOM 213 N GLY A 15 88.383 -16.147 -0.825 1.00 0.00 N ATOM 214 CA GLY A 15 87.449 -17.167 -0.355 1.00 0.00 C ATOM 215 C GLY A 15 86.919 -16.816 1.031 1.00 0.00 C ATOM 216 O GLY A 15 86.200 -17.605 1.643 1.00 0.00 O ATOM 0 H GLY A 15 87.949 -15.250 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.618 -17.257 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 15 87.947 -18.136 -0.325 1.00 0.00 H new ATOM 220 N LYS A 16 87.442 -15.732 1.595 1.00 0.00 N ATOM 221 CA LYS A 16 87.033 -15.282 2.922 1.00 0.00 C ATOM 222 C LYS A 16 85.946 -14.217 2.826 1.00 0.00 C ATOM 223 O LYS A 16 85.652 -13.703 1.747 1.00 0.00 O ATOM 224 CB LYS A 16 88.257 -14.729 3.663 1.00 0.00 C ATOM 225 CG LYS A 16 88.912 -15.826 4.508 1.00 0.00 C ATOM 226 CD LYS A 16 90.122 -15.257 5.251 1.00 0.00 C ATOM 227 CE LYS A 16 90.871 -16.404 5.932 1.00 0.00 C ATOM 228 NZ LYS A 16 89.898 -17.247 6.682 1.00 0.00 N ATOM 0 H LYS A 16 88.151 -15.147 1.153 1.00 0.00 H new ATOM 0 HA LYS A 16 86.622 -16.128 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 16 88.977 -14.336 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.958 -13.899 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.192 -16.227 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.222 -16.653 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.781 -14.737 4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.799 -14.525 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 91.394 -17.005 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 91.627 -16.009 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 90.400 -17.790 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 89.185 -16.638 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 89.428 -17.903 6.025 1.00 0.00 H new ATOM 242 N THR A 17 85.381 -13.863 3.978 1.00 0.00 N ATOM 243 CA THR A 17 84.358 -12.824 4.054 1.00 0.00 C ATOM 244 C THR A 17 84.866 -11.636 4.862 1.00 0.00 C ATOM 245 O THR A 17 85.382 -11.799 5.967 1.00 0.00 O ATOM 246 CB THR A 17 83.092 -13.391 4.705 1.00 0.00 C ATOM 247 OG1 THR A 17 83.467 -14.188 5.819 1.00 0.00 O ATOM 248 CG2 THR A 17 82.303 -14.262 3.719 1.00 0.00 C ATOM 0 H THR A 17 85.617 -14.284 4.877 1.00 0.00 H new ATOM 0 HA THR A 17 84.126 -12.486 3.044 1.00 0.00 H new ATOM 0 HB THR A 17 82.460 -12.559 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 17 84.152 -13.720 6.341 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.410 -14.650 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.011 -13.662 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 17 82.926 -15.093 3.389 1.00 0.00 H new ATOM 256 N VAL A 18 84.700 -10.443 4.299 1.00 0.00 N ATOM 257 CA VAL A 18 85.116 -9.207 4.957 1.00 0.00 C ATOM 258 C VAL A 18 83.966 -8.206 4.994 1.00 0.00 C ATOM 259 O VAL A 18 83.284 -7.985 3.995 1.00 0.00 O ATOM 260 CB VAL A 18 86.312 -8.592 4.223 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.873 -8.128 2.831 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.898 -7.411 5.010 1.00 0.00 C ATOM 0 H VAL A 18 84.277 -10.305 3.381 1.00 0.00 H new ATOM 0 HA VAL A 18 85.408 -9.446 5.980 1.00 0.00 H new ATOM 0 HB VAL A 18 87.088 -9.351 4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.724 -7.690 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.499 -8.981 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.084 -7.382 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.745 -6.995 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.135 -6.643 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.231 -7.756 5.989 1.00 0.00 H new ATOM 272 N THR A 19 83.777 -7.591 6.156 1.00 0.00 N ATOM 273 CA THR A 19 82.754 -6.568 6.338 1.00 0.00 C ATOM 274 C THR A 19 83.425 -5.210 6.512 1.00 0.00 C ATOM 275 O THR A 19 84.202 -5.002 7.443 1.00 0.00 O ATOM 276 CB THR A 19 81.918 -6.933 7.571 1.00 0.00 C ATOM 277 OG1 THR A 19 80.850 -7.779 7.168 1.00 0.00 O ATOM 278 CG2 THR A 19 81.356 -5.699 8.284 1.00 0.00 C ATOM 0 H THR A 19 84.325 -7.786 6.994 1.00 0.00 H new ATOM 0 HA THR A 19 82.100 -6.514 5.468 1.00 0.00 H new ATOM 0 HB THR A 19 82.571 -7.443 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.397 -8.135 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.772 -6.013 9.149 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.178 -5.063 8.612 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.717 -5.142 7.598 1.00 0.00 H new ATOM 286 N ILE A 20 82.978 -4.243 5.717 1.00 0.00 N ATOM 287 CA ILE A 20 83.528 -2.892 5.761 1.00 0.00 C ATOM 288 C ILE A 20 82.632 -1.989 6.602 1.00 0.00 C ATOM 289 O ILE A 20 81.430 -2.227 6.713 1.00 0.00 O ATOM 290 CB ILE A 20 83.636 -2.319 4.343 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.132 -3.374 3.347 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.580 -1.114 4.356 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.594 -3.750 3.605 1.00 0.00 C ATOM 0 H ILE A 20 82.233 -4.371 5.032 1.00 0.00 H new ATOM 0 HA ILE A 20 84.521 -2.937 6.209 1.00 0.00 H new ATOM 0 HB ILE A 20 82.644 -2.006 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.508 -4.265 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.027 -2.993 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.660 -0.703 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.188 -0.352 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.566 -1.428 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.910 -4.500 2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.220 -2.863 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.693 -4.155 4.612 1.00 0.00 H new ATOM 305 N SER A 21 83.257 -1.057 7.314 1.00 0.00 N ATOM 306 CA SER A 21 82.546 -0.123 8.181 1.00 0.00 C ATOM 307 C SER A 21 82.753 1.312 7.698 1.00 0.00 C ATOM 308 O SER A 21 83.865 1.833 7.787 1.00 0.00 O ATOM 309 CB SER A 21 83.059 -0.284 9.615 1.00 0.00 C ATOM 310 OG SER A 21 83.222 -1.664 9.913 1.00 0.00 O ATOM 0 H SER A 21 84.269 -0.928 7.307 1.00 0.00 H new ATOM 0 HA SER A 21 81.478 -0.339 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.009 0.238 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.357 0.169 10.316 1.00 0.00 H new ATOM 0 HG SER A 21 83.552 -1.764 10.830 1.00 0.00 H new ATOM 316 N CYS A 22 81.669 1.975 7.291 1.00 0.00 N ATOM 317 CA CYS A 22 81.699 3.353 6.791 1.00 0.00 C ATOM 318 C CYS A 22 80.830 4.196 7.728 1.00 0.00 C ATOM 319 O CYS A 22 79.702 3.805 8.031 1.00 0.00 O ATOM 320 CB CYS A 22 81.186 3.395 5.334 1.00 0.00 C ATOM 321 SG CYS A 22 81.258 5.025 4.522 1.00 0.00 S ATOM 0 H CYS A 22 80.734 1.567 7.299 1.00 0.00 H new ATOM 0 HA CYS A 22 82.713 3.752 6.780 1.00 0.00 H new ATOM 0 HB2 CYS A 22 81.767 2.688 4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.153 3.048 5.321 1.00 0.00 H new ATOM 326 N THR A 23 81.468 5.099 8.472 1.00 0.00 N ATOM 327 CA THR A 23 80.759 5.976 9.402 1.00 0.00 C ATOM 328 C THR A 23 80.930 7.413 8.928 1.00 0.00 C ATOM 329 O THR A 23 82.062 7.881 8.813 1.00 0.00 O ATOM 330 CB THR A 23 81.323 5.863 10.821 1.00 0.00 C ATOM 331 OG1 THR A 23 81.127 4.542 11.304 1.00 0.00 O ATOM 332 CG2 THR A 23 80.618 6.852 11.756 1.00 0.00 C ATOM 0 H THR A 23 82.478 5.242 8.448 1.00 0.00 H new ATOM 0 HA THR A 23 79.709 5.683 9.425 1.00 0.00 H new ATOM 0 HB THR A 23 82.388 6.096 10.795 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.489 4.468 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.030 6.760 12.761 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.771 7.868 11.393 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.551 6.632 11.780 1.00 0.00 H new ATOM 340 N ARG A 24 79.850 8.186 8.979 1.00 0.00 N ATOM 341 CA ARG A 24 79.967 9.621 8.752 1.00 0.00 C ATOM 342 C ARG A 24 80.180 10.335 10.085 1.00 0.00 C ATOM 343 O ARG A 24 79.486 10.065 11.064 1.00 0.00 O ATOM 344 CB ARG A 24 78.724 10.141 8.013 1.00 0.00 C ATOM 345 CG ARG A 24 79.107 11.036 6.826 1.00 0.00 C ATOM 346 CD ARG A 24 77.958 11.979 6.459 1.00 0.00 C ATOM 347 NE ARG A 24 76.672 11.349 6.734 1.00 0.00 N ATOM 348 CZ ARG A 24 75.532 12.003 6.530 1.00 0.00 C ATOM 349 NH1 ARG A 24 75.216 12.402 5.329 1.00 0.00 N ATOM 350 NH2 ARG A 24 74.764 12.309 7.540 1.00 0.00 N ATOM 0 H ARG A 24 78.905 7.853 9.171 1.00 0.00 H new ATOM 0 HA ARG A 24 80.831 9.827 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.132 9.298 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.096 10.702 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.994 11.618 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.363 10.417 5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.045 12.905 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 24 78.021 12.245 5.404 1.00 0.00 H new ATOM 0 HE ARG A 24 76.646 10.393 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.843 12.212 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 24 74.342 12.904 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.038 12.047 8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 24 73.890 12.811 7.382 1.00 0.00 H new ATOM 364 N SER A 25 81.010 11.371 10.060 1.00 0.00 N ATOM 365 CA SER A 25 81.276 12.191 11.240 1.00 0.00 C ATOM 366 C SER A 25 79.984 12.791 11.784 1.00 0.00 C ATOM 367 O SER A 25 80.017 13.760 12.542 1.00 0.00 O ATOM 368 CB SER A 25 82.266 13.308 10.905 1.00 0.00 C ATOM 369 OG SER A 25 82.575 14.031 12.087 1.00 0.00 O ATOM 0 H SER A 25 81.517 11.667 9.226 1.00 0.00 H new ATOM 0 HA SER A 25 81.712 11.549 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 25 83.175 12.887 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 25 81.839 13.976 10.157 1.00 0.00 H new ATOM 0 HG SER A 25 81.748 14.229 12.575 1.00 0.00 H new ATOM 375 N SER A 26 78.884 12.425 11.136 1.00 0.00 N ATOM 376 CA SER A 26 77.573 12.991 11.427 1.00 0.00 C ATOM 377 C SER A 26 76.743 11.979 12.213 1.00 0.00 C ATOM 378 O SER A 26 75.688 12.311 12.754 1.00 0.00 O ATOM 379 CB SER A 26 76.910 13.351 10.095 1.00 0.00 C ATOM 380 OG SER A 26 76.412 14.680 10.161 1.00 0.00 O ATOM 0 H SER A 26 78.877 11.726 10.393 1.00 0.00 H new ATOM 0 HA SER A 26 77.658 13.890 12.038 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.630 13.260 9.281 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.098 12.656 9.881 1.00 0.00 H new ATOM 0 HG SER A 26 75.989 14.913 9.309 1.00 0.00 H new ATOM 386 N GLY A 27 77.177 10.723 12.179 1.00 0.00 N ATOM 387 CA GLY A 27 76.493 9.656 12.899 1.00 0.00 C ATOM 388 C GLY A 27 75.297 9.137 12.106 1.00 0.00 C ATOM 389 O GLY A 27 75.162 7.933 11.889 1.00 0.00 O ATOM 0 H GLY A 27 78.001 10.419 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.188 8.839 13.091 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.158 10.024 13.869 1.00 0.00 H new ATOM 393 N SER A 28 74.446 10.049 11.651 1.00 0.00 N ATOM 394 CA SER A 28 73.269 9.664 10.879 1.00 0.00 C ATOM 395 C SER A 28 73.654 8.805 9.680 1.00 0.00 C ATOM 396 O SER A 28 74.394 9.246 8.802 1.00 0.00 O ATOM 397 CB SER A 28 72.543 10.912 10.378 1.00 0.00 C ATOM 398 OG SER A 28 73.433 11.685 9.588 1.00 0.00 O ATOM 0 H SER A 28 74.547 11.053 11.801 1.00 0.00 H new ATOM 0 HA SER A 28 72.616 9.086 11.533 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.670 10.628 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.182 11.500 11.222 1.00 0.00 H new ATOM 0 HG SER A 28 73.028 12.556 9.396 1.00 0.00 H new ATOM 404 N ILE A 29 73.229 7.546 9.706 1.00 0.00 N ATOM 405 CA ILE A 29 73.556 6.591 8.652 1.00 0.00 C ATOM 406 C ILE A 29 72.331 5.784 8.241 1.00 0.00 C ATOM 407 O ILE A 29 71.816 5.949 7.136 1.00 0.00 O ATOM 408 CB ILE A 29 74.630 5.609 9.132 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.301 5.097 10.549 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.021 6.262 9.088 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.750 3.667 10.571 1.00 0.00 C ATOM 0 H ILE A 29 72.652 7.160 10.453 1.00 0.00 H new ATOM 0 HA ILE A 29 73.920 7.165 7.800 1.00 0.00 H new ATOM 0 HB ILE A 29 74.641 4.752 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.202 5.140 11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.573 5.765 11.008 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.769 5.548 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.250 6.562 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.032 7.139 9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.541 3.373 11.600 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.831 3.622 9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.486 2.987 10.142 1.00 0.00 H new ATOM 423 N ALA A 30 71.784 5.028 9.188 1.00 0.00 N ATOM 424 CA ALA A 30 70.619 4.199 8.901 1.00 0.00 C ATOM 425 C ALA A 30 69.472 5.118 8.505 1.00 0.00 C ATOM 426 O ALA A 30 68.387 4.676 8.127 1.00 0.00 O ATOM 427 CB ALA A 30 70.201 3.403 10.141 1.00 0.00 C ATOM 0 H ALA A 30 72.123 4.972 10.148 1.00 0.00 H new ATOM 0 HA ALA A 30 70.863 3.500 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.330 2.792 9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.023 2.759 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 30 69.952 4.092 10.949 1.00 0.00 H new ATOM 433 N SER A 31 69.791 6.406 8.526 1.00 0.00 N ATOM 434 CA SER A 31 68.838 7.446 8.142 1.00 0.00 C ATOM 435 C SER A 31 69.180 8.055 6.785 1.00 0.00 C ATOM 436 O SER A 31 68.330 8.692 6.161 1.00 0.00 O ATOM 437 CB SER A 31 68.759 8.540 9.208 1.00 0.00 C ATOM 438 OG SER A 31 67.927 8.090 10.269 1.00 0.00 O ATOM 0 H SER A 31 70.706 6.759 8.806 1.00 0.00 H new ATOM 0 HA SER A 31 67.862 6.969 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.755 8.773 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.358 9.457 8.778 1.00 0.00 H new ATOM 0 HG SER A 31 67.872 8.784 10.958 1.00 0.00 H new ATOM 444 N ASN A 32 70.420 7.884 6.337 1.00 0.00 N ATOM 445 CA ASN A 32 70.860 8.494 5.086 1.00 0.00 C ATOM 446 C ASN A 32 71.227 7.402 4.088 1.00 0.00 C ATOM 447 O ASN A 32 71.736 6.346 4.465 1.00 0.00 O ATOM 448 CB ASN A 32 72.097 9.364 5.329 1.00 0.00 C ATOM 449 CG ASN A 32 71.869 10.289 6.519 1.00 0.00 C ATOM 450 OD1 ASN A 32 70.793 10.873 6.655 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.867 10.558 7.315 1.00 0.00 N ATOM 0 H ASN A 32 71.133 7.333 6.816 1.00 0.00 H new ATOM 0 HA ASN A 32 70.049 9.109 4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.965 8.731 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.316 9.953 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.758 11.254 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.757 10.073 7.200 1.00 0.00 H new ATOM 458 N TYR A 33 71.003 7.689 2.810 1.00 0.00 N ATOM 459 CA TYR A 33 71.277 6.721 1.755 1.00 0.00 C ATOM 460 C TYR A 33 72.772 6.701 1.459 1.00 0.00 C ATOM 461 O TYR A 33 73.405 7.753 1.383 1.00 0.00 O ATOM 462 CB TYR A 33 70.511 7.102 0.487 1.00 0.00 C ATOM 463 CG TYR A 33 69.031 7.141 0.782 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.463 8.290 1.346 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.216 6.060 0.426 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.082 8.352 1.568 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.849 6.086 0.724 1.00 0.00 C ATOM 468 CZ TYR A 33 66.281 7.240 1.278 1.00 0.00 C ATOM 469 OH TYR A 33 64.924 7.287 1.525 1.00 0.00 O ATOM 0 H TYR A 33 70.634 8.581 2.481 1.00 0.00 H new ATOM 0 HA TYR A 33 70.956 5.733 2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.846 8.074 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.716 6.381 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.090 9.129 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.642 5.206 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.636 9.254 1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.235 5.220 0.528 1.00 0.00 H new ATOM 0 HH TYR A 33 64.515 6.435 1.267 1.00 0.00 H new ATOM 479 N VAL A 34 73.345 5.503 1.388 1.00 0.00 N ATOM 480 CA VAL A 34 74.779 5.355 1.156 1.00 0.00 C ATOM 481 C VAL A 34 75.024 4.551 -0.116 1.00 0.00 C ATOM 482 O VAL A 34 74.293 3.607 -0.414 1.00 0.00 O ATOM 483 CB VAL A 34 75.441 4.667 2.354 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.919 5.058 2.442 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.730 5.084 3.643 1.00 0.00 C ATOM 0 H VAL A 34 72.840 4.622 1.487 1.00 0.00 H new ATOM 0 HA VAL A 34 75.219 6.345 1.035 1.00 0.00 H new ATOM 0 HB VAL A 34 75.366 3.587 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.376 4.562 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.431 4.753 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.003 6.138 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.202 4.594 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 34 74.799 6.165 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.681 4.791 3.591 1.00 0.00 H new ATOM 495 N GLN A 35 76.099 4.887 -0.822 1.00 0.00 N ATOM 496 CA GLN A 35 76.457 4.217 -2.068 1.00 0.00 C ATOM 497 C GLN A 35 77.871 3.660 -1.958 1.00 0.00 C ATOM 498 O GLN A 35 78.602 4.019 -1.037 1.00 0.00 O ATOM 499 CB GLN A 35 76.402 5.213 -3.229 1.00 0.00 C ATOM 500 CG GLN A 35 77.267 6.435 -2.917 1.00 0.00 C ATOM 501 CD GLN A 35 77.352 7.340 -4.143 1.00 0.00 C ATOM 502 OE1 GLN A 35 78.292 7.231 -4.931 1.00 0.00 O ATOM 503 NE2 GLN A 35 76.469 8.287 -4.306 1.00 0.00 N ATOM 0 H GLN A 35 76.744 5.628 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 35 75.752 3.406 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.751 4.735 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.372 5.523 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 35 76.844 6.986 -2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.266 6.117 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.691 8.377 -3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 35 76.557 8.938 -5.087 1.00 0.00 H new ATOM 512 N TRP A 36 78.228 2.738 -2.847 1.00 0.00 N ATOM 513 CA TRP A 36 79.569 2.160 -2.843 1.00 0.00 C ATOM 514 C TRP A 36 80.166 2.176 -4.248 1.00 0.00 C ATOM 515 O TRP A 36 79.510 1.795 -5.219 1.00 0.00 O ATOM 516 CB TRP A 36 79.504 0.723 -2.319 1.00 0.00 C ATOM 517 CG TRP A 36 78.874 0.719 -0.963 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.578 1.001 -0.704 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.499 0.452 0.327 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.359 0.903 0.657 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.516 0.586 1.341 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.808 0.124 0.716 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.821 0.365 2.689 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.122 -0.077 2.066 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.135 0.044 3.052 1.00 0.00 C ATOM 0 H TRP A 36 77.612 2.376 -3.575 1.00 0.00 H new ATOM 0 HA TRP A 36 80.208 2.757 -2.192 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.927 0.100 -3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.506 0.297 -2.268 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.833 1.261 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.453 1.047 1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.580 0.026 -0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.051 0.441 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.134 -0.327 2.349 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.387 -0.110 4.091 1.00 0.00 H new ATOM 536 N TYR A 37 81.407 2.646 -4.347 1.00 0.00 N ATOM 537 CA TYR A 37 82.104 2.783 -5.622 1.00 0.00 C ATOM 538 C TYR A 37 83.444 2.062 -5.546 1.00 0.00 C ATOM 539 O TYR A 37 84.083 2.019 -4.495 1.00 0.00 O ATOM 540 CB TYR A 37 82.320 4.263 -5.959 1.00 0.00 C ATOM 541 CG TYR A 37 81.144 4.809 -6.738 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.878 4.875 -6.143 1.00 0.00 C ATOM 543 CD2 TYR A 37 81.299 5.172 -8.083 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.791 5.387 -6.861 1.00 0.00 C ATOM 545 CE2 TYR A 37 80.205 5.656 -8.810 1.00 0.00 C ATOM 546 CZ TYR A 37 78.952 5.771 -8.197 1.00 0.00 C ATOM 547 OH TYR A 37 77.887 6.292 -8.904 1.00 0.00 O ATOM 0 H TYR A 37 81.959 2.943 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 37 81.496 2.337 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.452 4.835 -5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.234 4.379 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.740 4.530 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 37 82.264 5.078 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.827 5.486 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 37 80.328 5.941 -9.844 1.00 0.00 H new ATOM 0 HH TYR A 37 77.353 5.560 -9.278 1.00 0.00 H new ATOM 557 N GLN A 38 83.897 1.548 -6.686 1.00 0.00 N ATOM 558 CA GLN A 38 85.191 0.877 -6.772 1.00 0.00 C ATOM 559 C GLN A 38 86.024 1.588 -7.834 1.00 0.00 C ATOM 560 O GLN A 38 85.568 1.762 -8.964 1.00 0.00 O ATOM 561 CB GLN A 38 85.026 -0.604 -7.146 1.00 0.00 C ATOM 562 CG GLN A 38 83.568 -1.050 -7.029 1.00 0.00 C ATOM 563 CD GLN A 38 83.159 -1.129 -5.561 1.00 0.00 C ATOM 564 OE1 GLN A 38 82.382 -0.301 -5.084 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.660 -2.070 -4.809 1.00 0.00 N ATOM 0 H GLN A 38 83.384 1.584 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 38 85.684 0.919 -5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.376 -0.765 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.649 -1.217 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.922 -0.349 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.438 -2.023 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 38 84.303 -2.754 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.409 -2.122 -3.822 1.00 0.00 H new ATOM 574 N GLN A 39 87.314 1.752 -7.554 1.00 0.00 N ATOM 575 CA GLN A 39 88.206 2.430 -8.489 1.00 0.00 C ATOM 576 C GLN A 39 89.565 1.740 -8.495 1.00 0.00 C ATOM 577 O GLN A 39 90.011 1.217 -7.474 1.00 0.00 O ATOM 578 CB GLN A 39 88.345 3.904 -8.085 1.00 0.00 C ATOM 579 CG GLN A 39 88.334 4.830 -9.306 1.00 0.00 C ATOM 580 CD GLN A 39 89.599 4.627 -10.133 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.710 4.695 -9.607 1.00 0.00 O ATOM 582 NE2 GLN A 39 89.495 4.361 -11.406 1.00 0.00 N ATOM 0 H GLN A 39 87.761 1.428 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 39 87.791 2.382 -9.496 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.530 4.176 -7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.273 4.043 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.455 4.627 -9.917 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.265 5.869 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.574 4.305 -11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 39 90.334 4.209 -11.966 1.00 0.00 H new ATOM 591 N ARG A 40 90.154 1.639 -9.681 1.00 0.00 N ATOM 592 CA ARG A 40 91.467 1.022 -9.812 1.00 0.00 C ATOM 593 C ARG A 40 92.028 1.322 -11.200 1.00 0.00 C ATOM 594 O ARG A 40 91.271 1.397 -12.169 1.00 0.00 O ATOM 595 CB ARG A 40 91.350 -0.483 -9.526 1.00 0.00 C ATOM 596 CG ARG A 40 91.475 -1.338 -10.793 1.00 0.00 C ATOM 597 CD ARG A 40 91.244 -2.822 -10.481 1.00 0.00 C ATOM 598 NE ARG A 40 92.161 -3.635 -11.271 1.00 0.00 N ATOM 599 CZ ARG A 40 92.169 -4.960 -11.176 1.00 0.00 C ATOM 600 NH1 ARG A 40 91.926 -5.536 -10.031 1.00 0.00 N ATOM 601 NH2 ARG A 40 92.433 -5.686 -12.228 1.00 0.00 N ATOM 0 H ARG A 40 89.749 1.972 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 40 92.167 1.435 -9.086 1.00 0.00 H new ATOM 0 HB2 ARG A 40 92.125 -0.775 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.390 -0.685 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 40 90.751 -1.002 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 40 92.465 -1.204 -11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 40 91.399 -3.009 -9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 40 90.213 -3.095 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 40 92.810 -3.177 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 91.729 -4.969 -9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 40 91.933 -6.554 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 40 92.633 -5.236 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 40 92.440 -6.703 -12.157 1.00 0.00 H new ATOM 658 N PRO A 45 85.638 4.512 -12.190 1.00 0.00 N ATOM 659 CA PRO A 45 84.749 4.284 -11.018 1.00 0.00 C ATOM 660 C PRO A 45 83.406 3.709 -11.460 1.00 0.00 C ATOM 661 O PRO A 45 82.770 4.249 -12.367 1.00 0.00 O ATOM 662 CB PRO A 45 84.583 5.660 -10.358 1.00 0.00 C ATOM 663 CG PRO A 45 85.399 6.641 -11.142 1.00 0.00 C ATOM 664 CD PRO A 45 86.176 5.882 -12.223 1.00 0.00 C ATOM 0 HA PRO A 45 85.170 3.559 -10.321 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.534 5.956 -10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.915 5.629 -9.320 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.753 7.391 -11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.087 7.171 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 45 86.035 6.338 -13.203 1.00 0.00 H new ATOM 0 HD3 PRO A 45 87.247 5.890 -12.018 1.00 0.00 H new ATOM 672 N THR A 46 82.922 2.694 -10.749 1.00 0.00 N ATOM 673 CA THR A 46 81.641 2.074 -11.079 1.00 0.00 C ATOM 674 C THR A 46 80.793 1.911 -9.823 1.00 0.00 C ATOM 675 O THR A 46 81.310 1.601 -8.750 1.00 0.00 O ATOM 676 CB THR A 46 81.869 0.699 -11.713 1.00 0.00 C ATOM 677 OG1 THR A 46 81.906 -0.288 -10.693 1.00 0.00 O ATOM 678 CG2 THR A 46 83.194 0.688 -12.480 1.00 0.00 C ATOM 0 H THR A 46 83.395 2.284 -9.944 1.00 0.00 H new ATOM 0 HA THR A 46 81.119 2.719 -11.786 1.00 0.00 H new ATOM 0 HB THR A 46 81.055 0.484 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.050 -1.170 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 46 83.347 -0.294 -12.927 1.00 0.00 H new ATOM 0 HG22 THR A 46 83.166 1.444 -13.265 1.00 0.00 H new ATOM 0 HG23 THR A 46 84.013 0.906 -11.795 1.00 0.00 H new ATOM 686 N THR A 47 79.503 2.210 -9.943 1.00 0.00 N ATOM 687 CA THR A 47 78.583 2.047 -8.823 1.00 0.00 C ATOM 688 C THR A 47 78.295 0.569 -8.578 1.00 0.00 C ATOM 689 O THR A 47 77.676 -0.093 -9.410 1.00 0.00 O ATOM 690 CB THR A 47 77.276 2.781 -9.130 1.00 0.00 C ATOM 691 OG1 THR A 47 77.578 4.067 -9.650 1.00 0.00 O ATOM 692 CG2 THR A 47 76.441 2.922 -7.855 1.00 0.00 C ATOM 0 H THR A 47 79.074 2.564 -10.798 1.00 0.00 H new ATOM 0 HA THR A 47 79.040 2.466 -7.927 1.00 0.00 H new ATOM 0 HB THR A 47 76.704 2.212 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.417 4.389 -9.259 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.513 3.446 -8.084 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.211 1.933 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.003 3.488 -7.113 1.00 0.00 H new ATOM 700 N VAL A 48 78.617 0.087 -7.380 1.00 0.00 N ATOM 701 CA VAL A 48 78.409 -1.325 -7.064 1.00 0.00 C ATOM 702 C VAL A 48 77.142 -1.523 -6.235 1.00 0.00 C ATOM 703 O VAL A 48 76.465 -2.539 -6.392 1.00 0.00 O ATOM 704 CB VAL A 48 79.634 -1.859 -6.304 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.263 -2.967 -5.311 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.671 -2.425 -7.279 1.00 0.00 C ATOM 0 H VAL A 48 79.016 0.642 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 48 78.285 -1.879 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 48 80.045 -1.012 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.161 -3.312 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.555 -2.578 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.809 -3.800 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.530 -2.798 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.227 -3.241 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.995 -1.640 -7.962 1.00 0.00 H new ATOM 716 N ILE A 49 76.735 -0.530 -5.454 1.00 0.00 N ATOM 717 CA ILE A 49 75.492 -0.621 -4.701 1.00 0.00 C ATOM 718 C ILE A 49 74.864 0.767 -4.642 1.00 0.00 C ATOM 719 O ILE A 49 75.560 1.765 -4.453 1.00 0.00 O ATOM 720 CB ILE A 49 75.781 -1.165 -3.296 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.902 -2.691 -3.333 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.650 -0.764 -2.346 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.447 -3.191 -1.993 1.00 0.00 C ATOM 0 H ILE A 49 77.246 0.344 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 49 74.795 -1.305 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 49 76.722 -0.744 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.929 -3.139 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.564 -2.995 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.858 -1.152 -1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.577 0.323 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.708 -1.177 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.534 -4.277 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.429 -2.753 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.767 -2.900 -1.192 1.00 0.00 H new ATOM 735 N TYR A 50 73.538 0.788 -4.590 1.00 0.00 N ATOM 736 CA TYR A 50 72.795 2.030 -4.410 1.00 0.00 C ATOM 737 C TYR A 50 71.719 1.821 -3.350 1.00 0.00 C ATOM 738 O TYR A 50 71.518 0.702 -2.875 1.00 0.00 O ATOM 739 CB TYR A 50 72.162 2.441 -5.742 1.00 0.00 C ATOM 740 CG TYR A 50 71.710 3.879 -5.663 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.651 4.905 -5.807 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.370 4.187 -5.404 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.236 6.241 -5.773 1.00 0.00 C ATOM 744 CE2 TYR A 50 69.964 5.524 -5.318 1.00 0.00 C ATOM 745 CZ TYR A 50 70.899 6.552 -5.496 1.00 0.00 C ATOM 746 OH TYR A 50 70.480 7.866 -5.499 1.00 0.00 O ATOM 0 H TYR A 50 72.953 -0.044 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 50 73.467 2.823 -4.081 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.882 2.319 -6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.314 1.794 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.695 4.666 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.649 3.394 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 50 72.947 7.032 -5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.931 5.763 -5.115 1.00 0.00 H new ATOM 0 HH TYR A 50 69.524 7.905 -5.289 1.00 0.00 H new ATOM 756 N GLU A 51 71.185 2.922 -2.830 1.00 0.00 N ATOM 757 CA GLU A 51 70.243 2.863 -1.718 1.00 0.00 C ATOM 758 C GLU A 51 70.738 1.906 -0.638 1.00 0.00 C ATOM 759 O GLU A 51 69.957 1.268 0.068 1.00 0.00 O ATOM 760 CB GLU A 51 68.907 2.351 -2.267 1.00 0.00 C ATOM 761 CG GLU A 51 67.855 2.278 -1.151 1.00 0.00 C ATOM 762 CD GLU A 51 66.483 2.704 -1.664 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.223 3.895 -1.679 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.727 1.835 -2.063 1.00 0.00 O ATOM 0 H GLU A 51 71.389 3.865 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 51 70.137 3.853 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.557 3.011 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.044 1.364 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.802 1.261 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.153 2.921 -0.323 1.00 0.00 H new ATOM 771 N ASP A 52 72.049 1.714 -0.635 1.00 0.00 N ATOM 772 CA ASP A 52 72.714 0.806 0.291 1.00 0.00 C ATOM 773 C ASP A 52 71.937 -0.503 0.370 1.00 0.00 C ATOM 774 O ASP A 52 72.221 -1.352 1.214 1.00 0.00 O ATOM 775 CB ASP A 52 72.771 1.440 1.682 1.00 0.00 C ATOM 776 CG ASP A 52 73.788 0.709 2.553 1.00 0.00 C ATOM 777 OD1 ASP A 52 73.436 -0.316 3.114 1.00 0.00 O ATOM 778 OD2 ASP A 52 74.893 1.211 2.676 1.00 0.00 O ATOM 0 H ASP A 52 72.685 2.186 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 52 73.726 0.611 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.042 2.492 1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 52 71.787 1.400 2.148 1.00 0.00 H new ATOM 783 N ASN A 53 71.113 -0.748 -0.644 1.00 0.00 N ATOM 784 CA ASN A 53 70.454 -2.034 -0.837 1.00 0.00 C ATOM 785 C ASN A 53 70.703 -2.536 -2.255 1.00 0.00 C ATOM 786 O ASN A 53 70.817 -3.737 -2.499 1.00 0.00 O ATOM 787 CB ASN A 53 68.966 -1.850 -0.521 1.00 0.00 C ATOM 788 CG ASN A 53 68.111 -2.917 -1.193 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.508 -3.752 -0.519 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.970 -2.888 -2.490 1.00 0.00 N ATOM 0 H ASN A 53 70.883 -0.057 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 53 70.856 -2.795 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.816 -1.889 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.643 -0.863 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 53 67.357 -3.560 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.473 -2.193 -3.042 1.00 0.00 H new ATOM 797 N GLN A 54 70.517 -1.615 -3.196 1.00 0.00 N ATOM 798 CA GLN A 54 70.440 -1.966 -4.610 1.00 0.00 C ATOM 799 C GLN A 54 71.661 -2.796 -4.996 1.00 0.00 C ATOM 800 O GLN A 54 72.776 -2.486 -4.579 1.00 0.00 O ATOM 801 CB GLN A 54 70.376 -0.683 -5.451 1.00 0.00 C ATOM 802 CG GLN A 54 69.146 -0.662 -6.361 1.00 0.00 C ATOM 803 CD GLN A 54 67.893 -0.647 -5.494 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.774 -0.665 -6.007 1.00 0.00 O ATOM 805 NE2 GLN A 54 68.028 -0.622 -4.196 1.00 0.00 N ATOM 0 H GLN A 54 70.417 -0.618 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 54 69.542 -2.555 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.355 0.184 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.278 -0.600 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.169 0.216 -7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 54 69.144 -1.536 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.959 -0.607 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.202 -0.617 -3.597 1.00 0.00 H new ATOM 814 N ARG A 55 71.441 -3.889 -5.724 1.00 0.00 N ATOM 815 CA ARG A 55 72.537 -4.734 -6.193 1.00 0.00 C ATOM 816 C ARG A 55 72.472 -4.862 -7.717 1.00 0.00 C ATOM 817 O ARG A 55 71.607 -5.576 -8.224 1.00 0.00 O ATOM 818 CB ARG A 55 72.425 -6.112 -5.522 1.00 0.00 C ATOM 819 CG ARG A 55 73.707 -6.471 -4.758 1.00 0.00 C ATOM 820 CD ARG A 55 73.763 -5.727 -3.420 1.00 0.00 C ATOM 821 NE ARG A 55 73.136 -6.542 -2.387 1.00 0.00 N ATOM 822 CZ ARG A 55 72.733 -6.006 -1.240 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.346 -4.956 -0.770 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.768 -6.560 -0.559 1.00 0.00 N ATOM 0 H ARG A 55 70.514 -4.210 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 55 73.496 -4.288 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.578 -6.116 -4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 55 72.226 -6.871 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.744 -7.546 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.579 -6.215 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.798 -5.514 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.251 -4.768 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 55 73.004 -7.541 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 55 74.130 -4.551 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 55 73.042 -4.539 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.320 -7.408 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.462 -6.145 0.321 1.00 0.00 H new ATOM 838 N PRO A 56 73.362 -4.267 -8.471 1.00 0.00 N ATOM 839 CA PRO A 56 73.388 -4.459 -9.949 1.00 0.00 C ATOM 840 C PRO A 56 73.734 -5.898 -10.327 1.00 0.00 C ATOM 841 O PRO A 56 74.748 -6.436 -9.881 1.00 0.00 O ATOM 842 CB PRO A 56 74.444 -3.472 -10.467 1.00 0.00 C ATOM 843 CG PRO A 56 74.933 -2.689 -9.289 1.00 0.00 C ATOM 844 CD PRO A 56 74.489 -3.430 -8.027 1.00 0.00 C ATOM 0 HA PRO A 56 72.410 -4.273 -10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 56 75.267 -4.004 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 56 74.015 -2.809 -11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 56 76.019 -2.594 -9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.524 -1.679 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.297 -4.036 -7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 56 74.184 -2.735 -7.245 1.00 0.00 H new ATOM 852 N SER A 57 73.009 -6.434 -11.304 1.00 0.00 N ATOM 853 CA SER A 57 73.298 -7.775 -11.802 1.00 0.00 C ATOM 854 C SER A 57 74.681 -7.819 -12.443 1.00 0.00 C ATOM 855 O SER A 57 75.367 -8.841 -12.395 1.00 0.00 O ATOM 856 CB SER A 57 72.244 -8.199 -12.826 1.00 0.00 C ATOM 857 OG SER A 57 70.952 -7.994 -12.278 1.00 0.00 O ATOM 0 H SER A 57 72.226 -5.967 -11.762 1.00 0.00 H new ATOM 0 HA SER A 57 73.276 -8.465 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.359 -7.622 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.378 -9.248 -13.090 1.00 0.00 H new ATOM 0 HG SER A 57 70.273 -8.263 -12.932 1.00 0.00 H new ATOM 863 N GLY A 58 75.063 -6.718 -13.081 1.00 0.00 N ATOM 864 CA GLY A 58 76.375 -6.630 -13.710 1.00 0.00 C ATOM 865 C GLY A 58 77.473 -7.007 -12.723 1.00 0.00 C ATOM 866 O GLY A 58 78.237 -7.944 -12.957 1.00 0.00 O ATOM 0 H GLY A 58 74.488 -5.881 -13.176 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.414 -7.292 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.541 -5.617 -14.076 1.00 0.00 H new ATOM 870 N VAL A 59 77.534 -6.290 -11.605 1.00 0.00 N ATOM 871 CA VAL A 59 78.574 -6.538 -10.614 1.00 0.00 C ATOM 872 C VAL A 59 78.142 -7.682 -9.698 1.00 0.00 C ATOM 873 O VAL A 59 76.958 -7.795 -9.380 1.00 0.00 O ATOM 874 CB VAL A 59 78.847 -5.260 -9.811 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.723 -4.052 -10.745 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.857 -5.112 -8.651 1.00 0.00 C ATOM 0 H VAL A 59 76.884 -5.542 -11.365 1.00 0.00 H new ATOM 0 HA VAL A 59 79.498 -6.826 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 59 79.852 -5.318 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.915 -3.137 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.449 -4.141 -11.554 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.717 -4.017 -11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 59 78.076 -4.197 -8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.841 -5.065 -9.043 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.949 -5.968 -7.983 1.00 0.00 H new ATOM 886 N PRO A 60 79.060 -8.444 -9.162 1.00 0.00 N ATOM 887 CA PRO A 60 78.691 -9.602 -8.300 1.00 0.00 C ATOM 888 C PRO A 60 77.924 -9.146 -7.060 1.00 0.00 C ATOM 889 O PRO A 60 78.239 -8.108 -6.483 1.00 0.00 O ATOM 890 CB PRO A 60 80.030 -10.249 -7.918 1.00 0.00 C ATOM 891 CG PRO A 60 81.124 -9.424 -8.523 1.00 0.00 C ATOM 892 CD PRO A 60 80.484 -8.475 -9.539 1.00 0.00 C ATOM 0 HA PRO A 60 78.031 -10.301 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 60 80.138 -10.292 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 60 80.077 -11.275 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.649 -8.861 -7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.861 -10.063 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.930 -7.482 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.618 -8.835 -10.559 1.00 0.00 H new ATOM 900 N ASP A 61 76.846 -9.850 -6.730 1.00 0.00 N ATOM 901 CA ASP A 61 76.069 -9.528 -5.539 1.00 0.00 C ATOM 902 C ASP A 61 76.911 -9.651 -4.272 1.00 0.00 C ATOM 903 O ASP A 61 76.380 -9.579 -3.164 1.00 0.00 O ATOM 904 CB ASP A 61 74.841 -10.438 -5.450 1.00 0.00 C ATOM 905 CG ASP A 61 74.217 -10.594 -6.833 1.00 0.00 C ATOM 906 OD1 ASP A 61 73.724 -9.606 -7.352 1.00 0.00 O ATOM 907 OD2 ASP A 61 74.362 -11.663 -7.406 1.00 0.00 O ATOM 0 H ASP A 61 76.492 -10.642 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 61 75.742 -8.491 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 61 75.127 -11.414 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 61 74.113 -10.016 -4.757 1.00 0.00 H new ATOM 912 N ARG A 62 78.174 -10.032 -4.441 1.00 0.00 N ATOM 913 CA ARG A 62 79.048 -10.292 -3.302 1.00 0.00 C ATOM 914 C ARG A 62 78.971 -9.152 -2.291 1.00 0.00 C ATOM 915 O ARG A 62 78.989 -9.383 -1.082 1.00 0.00 O ATOM 916 CB ARG A 62 80.492 -10.440 -3.787 1.00 0.00 C ATOM 917 CG ARG A 62 80.688 -11.808 -4.446 1.00 0.00 C ATOM 918 CD ARG A 62 82.151 -11.943 -4.875 1.00 0.00 C ATOM 919 NE ARG A 62 82.500 -10.917 -5.853 1.00 0.00 N ATOM 920 CZ ARG A 62 83.657 -10.264 -5.802 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.711 -10.839 -5.289 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.727 -9.030 -6.222 1.00 0.00 N ATOM 0 H ARG A 62 78.613 -10.167 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 62 78.721 -11.213 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.728 -9.648 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 62 81.179 -10.330 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.424 -12.604 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.031 -11.909 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.800 -11.857 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.320 -12.932 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 62 81.838 -10.695 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 62 84.647 -11.790 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.598 -10.337 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.895 -8.568 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.614 -8.528 -6.183 1.00 0.00 H new ATOM 936 N PHE A 63 78.881 -7.922 -2.786 1.00 0.00 N ATOM 937 CA PHE A 63 78.829 -6.770 -1.895 1.00 0.00 C ATOM 938 C PHE A 63 77.482 -6.718 -1.190 1.00 0.00 C ATOM 939 O PHE A 63 76.435 -6.807 -1.832 1.00 0.00 O ATOM 940 CB PHE A 63 79.041 -5.477 -2.684 1.00 0.00 C ATOM 941 CG PHE A 63 80.151 -5.697 -3.681 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.830 -6.115 -4.976 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.469 -5.353 -3.364 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.839 -6.291 -5.929 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.484 -5.546 -4.309 1.00 0.00 C ATOM 946 CZ PHE A 63 82.169 -6.012 -5.591 1.00 0.00 C ATOM 0 H PHE A 63 78.843 -7.700 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 63 79.622 -6.869 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 63 78.123 -5.192 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.295 -4.660 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.800 -6.303 -5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.703 -4.940 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.593 -6.640 -6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.511 -5.335 -4.049 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.953 -6.156 -6.320 1.00 0.00 H new ATOM 956 N SER A 64 77.521 -6.473 0.115 1.00 0.00 N ATOM 957 CA SER A 64 76.292 -6.399 0.900 1.00 0.00 C ATOM 958 C SER A 64 76.198 -5.069 1.632 1.00 0.00 C ATOM 959 O SER A 64 76.858 -4.855 2.641 1.00 0.00 O ATOM 960 CB SER A 64 76.218 -7.565 1.885 1.00 0.00 C ATOM 961 OG SER A 64 74.874 -7.759 2.303 1.00 0.00 O ATOM 0 H SER A 64 78.378 -6.324 0.647 1.00 0.00 H new ATOM 0 HA SER A 64 75.444 -6.469 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.597 -8.473 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.851 -7.364 2.749 1.00 0.00 H new ATOM 0 HG SER A 64 74.832 -8.509 2.933 1.00 0.00 H new ATOM 967 N GLY A 65 75.104 -4.382 1.344 1.00 0.00 N ATOM 968 CA GLY A 65 74.815 -3.079 1.925 1.00 0.00 C ATOM 969 C GLY A 65 73.686 -3.184 2.945 1.00 0.00 C ATOM 970 O GLY A 65 72.570 -3.578 2.604 1.00 0.00 O ATOM 0 H GLY A 65 74.388 -4.713 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.710 -2.682 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.537 -2.378 1.138 1.00 0.00 H new ATOM 974 N SER A 66 73.977 -2.842 4.197 1.00 0.00 N ATOM 975 CA SER A 66 72.978 -2.955 5.254 1.00 0.00 C ATOM 976 C SER A 66 73.285 -1.995 6.399 1.00 0.00 C ATOM 977 O SER A 66 74.370 -1.417 6.458 1.00 0.00 O ATOM 978 CB SER A 66 72.953 -4.390 5.782 1.00 0.00 C ATOM 979 OG SER A 66 74.041 -4.582 6.674 1.00 0.00 O ATOM 0 H SER A 66 74.884 -2.489 4.502 1.00 0.00 H new ATOM 0 HA SER A 66 72.004 -2.696 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.010 -4.585 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.018 -5.095 4.954 1.00 0.00 H new ATOM 0 HG SER A 66 74.804 -4.041 6.381 1.00 0.00 H new ATOM 985 N ILE A 67 72.290 -1.767 7.253 1.00 0.00 N ATOM 986 CA ILE A 67 72.419 -0.822 8.358 1.00 0.00 C ATOM 987 C ILE A 67 71.630 -1.292 9.574 1.00 0.00 C ATOM 988 O ILE A 67 70.933 -2.303 9.498 1.00 0.00 O ATOM 989 CB ILE A 67 71.897 0.553 7.935 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.452 0.441 7.433 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.771 1.116 6.813 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.450 0.221 8.570 1.00 0.00 C ATOM 0 H ILE A 67 71.381 -2.227 7.200 1.00 0.00 H new ATOM 0 HA ILE A 67 73.475 -0.758 8.620 1.00 0.00 H new ATOM 0 HB ILE A 67 71.930 1.217 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.188 1.349 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.380 -0.385 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.395 2.095 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.798 1.213 7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.744 0.441 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.443 0.149 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.694 -0.702 9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.499 1.059 9.265 1.00 0.00 H new ATOM 1004 N ASP A 68 72.034 -0.788 10.737 1.00 0.00 N ATOM 1005 CA ASP A 68 71.345 -1.079 11.992 1.00 0.00 C ATOM 1006 C ASP A 68 70.468 0.081 12.456 1.00 0.00 C ATOM 1007 O ASP A 68 70.784 1.244 12.207 1.00 0.00 O ATOM 1008 CB ASP A 68 72.377 -1.443 13.061 1.00 0.00 C ATOM 1009 CG ASP A 68 72.896 -2.854 12.805 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.586 -3.390 11.754 1.00 0.00 O ATOM 1011 OD2 ASP A 68 73.526 -3.405 13.691 1.00 0.00 O ATOM 0 H ASP A 68 72.841 -0.172 10.837 1.00 0.00 H new ATOM 0 HA ASP A 68 70.676 -1.923 11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.202 -0.731 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.927 -1.384 14.052 1.00 0.00 H new ATOM 1016 N SER A 69 69.423 -0.234 13.215 1.00 0.00 N ATOM 1017 CA SER A 69 68.562 0.793 13.792 1.00 0.00 C ATOM 1018 C SER A 69 69.302 1.591 14.861 1.00 0.00 C ATOM 1019 O SER A 69 68.740 2.503 15.468 1.00 0.00 O ATOM 1020 CB SER A 69 67.314 0.151 14.405 1.00 0.00 C ATOM 1021 OG SER A 69 66.821 -0.858 13.537 1.00 0.00 O ATOM 0 H SER A 69 69.152 -1.190 13.445 1.00 0.00 H new ATOM 0 HA SER A 69 68.267 1.473 12.993 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.554 -0.278 15.378 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.548 0.908 14.571 1.00 0.00 H new ATOM 0 HG SER A 69 66.024 -1.268 13.932 1.00 0.00 H new ATOM 1027 N SER A 70 70.574 1.265 15.062 1.00 0.00 N ATOM 1028 CA SER A 70 71.402 1.999 16.012 1.00 0.00 C ATOM 1029 C SER A 70 71.620 3.435 15.548 1.00 0.00 C ATOM 1030 O SER A 70 71.624 4.360 16.360 1.00 0.00 O ATOM 1031 CB SER A 70 72.751 1.297 16.176 1.00 0.00 C ATOM 1032 OG SER A 70 72.557 0.060 16.848 1.00 0.00 O ATOM 0 H SER A 70 71.052 0.502 14.583 1.00 0.00 H new ATOM 0 HA SER A 70 70.885 2.022 16.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.207 1.127 15.200 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.436 1.928 16.742 1.00 0.00 H new ATOM 0 HG SER A 70 73.419 -0.394 16.953 1.00 0.00 H new ATOM 1038 N SER A 71 71.909 3.604 14.261 1.00 0.00 N ATOM 1039 CA SER A 71 72.185 4.926 13.710 1.00 0.00 C ATOM 1040 C SER A 71 73.616 5.349 14.025 1.00 0.00 C ATOM 1041 O SER A 71 73.886 6.525 14.263 1.00 0.00 O ATOM 1042 CB SER A 71 71.179 5.953 14.242 1.00 0.00 C ATOM 1043 OG SER A 71 69.933 5.314 14.477 1.00 0.00 O ATOM 0 H SER A 71 71.958 2.844 13.582 1.00 0.00 H new ATOM 0 HA SER A 71 72.077 4.878 12.626 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.551 6.399 15.164 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.055 6.763 13.523 1.00 0.00 H new ATOM 0 HG SER A 71 69.289 5.969 14.819 1.00 0.00 H new ATOM 1049 N ASN A 72 74.496 4.364 14.184 1.00 0.00 N ATOM 1050 CA ASN A 72 75.890 4.628 14.529 1.00 0.00 C ATOM 1051 C ASN A 72 76.772 4.617 13.283 1.00 0.00 C ATOM 1052 O ASN A 72 77.721 5.395 13.181 1.00 0.00 O ATOM 1053 CB ASN A 72 76.376 3.567 15.521 1.00 0.00 C ATOM 1054 CG ASN A 72 77.544 4.094 16.349 1.00 0.00 C ATOM 1055 OD1 ASN A 72 77.370 4.428 17.521 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.698 4.297 15.775 1.00 0.00 N ATOM 0 H ASN A 72 74.268 3.375 14.079 1.00 0.00 H new ATOM 0 HA ASN A 72 75.957 5.617 14.983 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.558 3.278 16.181 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.682 2.671 14.981 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.458 4.733 16.297 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.840 4.020 14.804 1.00 0.00 H new ATOM 1063 N SER A 73 76.522 3.672 12.383 1.00 0.00 N ATOM 1064 CA SER A 73 77.340 3.579 11.178 1.00 0.00 C ATOM 1065 C SER A 73 76.707 2.662 10.133 1.00 0.00 C ATOM 1066 O SER A 73 75.877 1.821 10.474 1.00 0.00 O ATOM 1067 CB SER A 73 78.742 3.084 11.534 1.00 0.00 C ATOM 1068 OG SER A 73 78.668 1.747 12.005 1.00 0.00 O ATOM 0 H SER A 73 75.780 2.976 12.460 1.00 0.00 H new ATOM 0 HA SER A 73 77.407 4.577 10.744 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.391 3.137 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.183 3.726 12.297 1.00 0.00 H new ATOM 0 HG SER A 73 79.567 1.430 12.231 1.00 0.00 H new ATOM 1074 N ALA A 74 77.319 2.577 8.954 1.00 0.00 N ATOM 1075 CA ALA A 74 76.797 1.711 7.900 1.00 0.00 C ATOM 1076 C ALA A 74 77.660 0.458 7.783 1.00 0.00 C ATOM 1077 O ALA A 74 78.878 0.543 7.640 1.00 0.00 O ATOM 1078 CB ALA A 74 76.801 2.463 6.565 1.00 0.00 C ATOM 0 H ALA A 74 78.165 3.090 8.706 1.00 0.00 H new ATOM 0 HA ALA A 74 75.776 1.421 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.411 1.814 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.175 3.351 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.820 2.759 6.317 1.00 0.00 H new ATOM 1084 N SER A 75 77.014 -0.704 7.876 1.00 0.00 N ATOM 1085 CA SER A 75 77.734 -1.981 7.887 1.00 0.00 C ATOM 1086 C SER A 75 77.410 -2.852 6.675 1.00 0.00 C ATOM 1087 O SER A 75 76.260 -2.838 6.239 1.00 0.00 O ATOM 1088 CB SER A 75 77.361 -2.775 9.143 1.00 0.00 C ATOM 1089 OG SER A 75 77.245 -1.894 10.248 1.00 0.00 O ATOM 0 H SER A 75 76.000 -0.790 7.944 1.00 0.00 H new ATOM 0 HA SER A 75 78.796 -1.737 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.420 -3.302 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.120 -3.531 9.346 1.00 0.00 H new ATOM 0 HG SER A 75 77.005 -2.404 11.049 1.00 0.00 H new ATOM 1095 N LEU A 76 78.426 -3.027 5.833 1.00 0.00 N ATOM 1096 CA LEU A 76 78.430 -3.975 4.719 1.00 0.00 C ATOM 1097 C LEU A 76 79.124 -5.317 4.960 1.00 0.00 C ATOM 1098 O LEU A 76 80.264 -5.333 5.415 1.00 0.00 O ATOM 1099 CB LEU A 76 78.882 -3.245 3.450 1.00 0.00 C ATOM 1100 CG LEU A 76 79.471 -4.214 2.416 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.261 -3.645 1.009 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.965 -4.428 2.699 1.00 0.00 C ATOM 0 H LEU A 76 79.295 -2.498 5.908 1.00 0.00 H new ATOM 0 HA LEU A 76 77.402 -4.316 4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.035 -2.717 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.627 -2.493 3.709 1.00 0.00 H new ATOM 0 HG LEU A 76 78.966 -5.178 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.679 -4.332 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.194 -3.518 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.760 -2.679 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.380 -5.117 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.487 -3.473 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.090 -4.846 3.698 1.00 0.00 H new ATOM 1114 N THR A 77 78.552 -6.408 4.453 1.00 0.00 N ATOM 1115 CA THR A 77 79.277 -7.672 4.308 1.00 0.00 C ATOM 1116 C THR A 77 79.619 -8.013 2.856 1.00 0.00 C ATOM 1117 O THR A 77 78.735 -8.295 2.053 1.00 0.00 O ATOM 1118 CB THR A 77 78.393 -8.777 4.886 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.185 -8.522 6.268 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.054 -10.147 4.708 1.00 0.00 C ATOM 0 H THR A 77 77.584 -6.443 4.134 1.00 0.00 H new ATOM 0 HA THR A 77 80.227 -7.580 4.835 1.00 0.00 H new ATOM 0 HB THR A 77 77.440 -8.786 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.033 -8.259 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.409 -10.919 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.211 -10.340 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.014 -10.158 5.224 1.00 0.00 H new ATOM 1128 N ILE A 78 80.893 -8.283 2.578 1.00 0.00 N ATOM 1129 CA ILE A 78 81.323 -8.760 1.262 1.00 0.00 C ATOM 1130 C ILE A 78 81.664 -10.248 1.311 1.00 0.00 C ATOM 1131 O ILE A 78 82.711 -10.637 1.826 1.00 0.00 O ATOM 1132 CB ILE A 78 82.525 -7.927 0.791 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.046 -6.636 0.110 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.417 -8.702 -0.188 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.070 -5.519 0.319 1.00 0.00 C ATOM 0 H ILE A 78 81.652 -8.179 3.251 1.00 0.00 H new ATOM 0 HA ILE A 78 80.509 -8.638 0.548 1.00 0.00 H new ATOM 0 HB ILE A 78 83.112 -7.690 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.900 -6.811 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.081 -6.336 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.253 -8.074 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.797 -9.600 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.835 -8.984 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.720 -4.609 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.195 -5.335 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.026 -5.816 -0.112 1.00 0.00 H new ATOM 1147 N SER A 79 80.779 -11.075 0.761 1.00 0.00 N ATOM 1148 CA SER A 79 81.008 -12.516 0.690 1.00 0.00 C ATOM 1149 C SER A 79 81.605 -12.934 -0.648 1.00 0.00 C ATOM 1150 O SER A 79 81.370 -12.293 -1.671 1.00 0.00 O ATOM 1151 CB SER A 79 79.698 -13.272 0.922 1.00 0.00 C ATOM 1152 OG SER A 79 79.898 -14.656 0.684 1.00 0.00 O ATOM 0 H SER A 79 79.893 -10.771 0.357 1.00 0.00 H new ATOM 0 HA SER A 79 81.724 -12.768 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.352 -13.115 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.922 -12.887 0.260 1.00 0.00 H new ATOM 0 HG SER A 79 79.058 -15.139 0.835 1.00 0.00 H new ATOM 1158 N GLY A 80 82.321 -14.053 -0.650 1.00 0.00 N ATOM 1159 CA GLY A 80 82.880 -14.590 -1.885 1.00 0.00 C ATOM 1160 C GLY A 80 83.978 -13.678 -2.424 1.00 0.00 C ATOM 1161 O GLY A 80 84.223 -13.628 -3.630 1.00 0.00 O ATOM 0 H GLY A 80 82.527 -14.603 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.285 -15.586 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.092 -14.697 -2.630 1.00 0.00 H new ATOM 1165 N LEU A 81 84.698 -13.025 -1.517 1.00 0.00 N ATOM 1166 CA LEU A 81 85.820 -12.191 -1.923 1.00 0.00 C ATOM 1167 C LEU A 81 86.783 -13.007 -2.777 1.00 0.00 C ATOM 1168 O LEU A 81 87.352 -13.999 -2.323 1.00 0.00 O ATOM 1169 CB LEU A 81 86.513 -11.665 -0.663 1.00 0.00 C ATOM 1170 CG LEU A 81 87.777 -10.851 -0.995 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.587 -9.377 -0.623 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.992 -11.399 -0.237 1.00 0.00 C ATOM 0 H LEU A 81 84.527 -13.057 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 81 85.474 -11.347 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.818 -11.041 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.781 -12.503 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 81 87.949 -10.937 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.492 -8.821 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.747 -8.966 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.386 -9.294 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.873 -10.809 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 81 88.808 -11.340 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.159 -12.438 -0.520 1.00 0.00 H new ATOM 1184 N LYS A 82 87.099 -12.452 -3.941 1.00 0.00 N ATOM 1185 CA LYS A 82 88.042 -13.067 -4.865 1.00 0.00 C ATOM 1186 C LYS A 82 88.927 -11.984 -5.466 1.00 0.00 C ATOM 1187 O LYS A 82 88.542 -10.817 -5.491 1.00 0.00 O ATOM 1188 CB LYS A 82 87.281 -13.815 -5.967 1.00 0.00 C ATOM 1189 CG LYS A 82 87.116 -15.278 -5.556 1.00 0.00 C ATOM 1190 CD LYS A 82 86.137 -16.007 -6.478 1.00 0.00 C ATOM 1191 CE LYS A 82 86.179 -17.503 -6.156 1.00 0.00 C ATOM 1192 NZ LYS A 82 86.374 -17.697 -4.692 1.00 0.00 N ATOM 0 H LYS A 82 86.711 -11.568 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 82 88.667 -13.785 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.305 -13.357 -6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.823 -13.748 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.085 -15.777 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 86.759 -15.331 -4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.128 -15.619 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.403 -15.838 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 82 85.252 -17.980 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 82 86.989 -17.981 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 86.151 -18.681 -4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.363 -17.491 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.745 -17.055 -4.170 1.00 0.00 H new ATOM 1206 N THR A 83 89.953 -12.425 -6.186 1.00 0.00 N ATOM 1207 CA THR A 83 90.799 -11.500 -6.929 1.00 0.00 C ATOM 1208 C THR A 83 89.929 -10.505 -7.685 1.00 0.00 C ATOM 1209 O THR A 83 90.417 -9.487 -8.180 1.00 0.00 O ATOM 1210 CB THR A 83 91.699 -12.265 -7.900 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.590 -11.357 -8.532 1.00 0.00 O ATOM 1212 CG2 THR A 83 90.836 -12.956 -8.958 1.00 0.00 C ATOM 0 H THR A 83 90.217 -13.407 -6.270 1.00 0.00 H new ATOM 0 HA THR A 83 91.434 -10.957 -6.229 1.00 0.00 H new ATOM 0 HB THR A 83 92.271 -13.015 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.167 -10.476 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.477 -13.502 -9.651 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.152 -13.652 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.264 -12.208 -9.506 1.00 0.00 H new ATOM 1220 N GLU A 84 88.662 -10.869 -7.859 1.00 0.00 N ATOM 1221 CA GLU A 84 87.729 -9.967 -8.524 1.00 0.00 C ATOM 1222 C GLU A 84 87.422 -8.746 -7.664 1.00 0.00 C ATOM 1223 O GLU A 84 87.342 -7.629 -8.176 1.00 0.00 O ATOM 1224 CB GLU A 84 86.433 -10.710 -8.853 1.00 0.00 C ATOM 1225 CG GLU A 84 86.740 -11.913 -9.746 1.00 0.00 C ATOM 1226 CD GLU A 84 85.457 -12.458 -10.362 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.543 -11.675 -10.564 1.00 0.00 O ATOM 1228 OE2 GLU A 84 85.452 -13.617 -10.742 1.00 0.00 O ATOM 0 H GLU A 84 88.265 -11.759 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 84 88.197 -9.620 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 84 85.949 -11.041 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.736 -10.040 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.434 -11.621 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.230 -12.692 -9.162 1.00 0.00 H new ATOM 1235 N ASP A 85 87.297 -8.944 -6.355 1.00 0.00 N ATOM 1236 CA ASP A 85 87.000 -7.828 -5.464 1.00 0.00 C ATOM 1237 C ASP A 85 88.229 -6.941 -5.302 1.00 0.00 C ATOM 1238 O ASP A 85 88.103 -5.770 -4.943 1.00 0.00 O ATOM 1239 CB ASP A 85 86.565 -8.374 -4.097 1.00 0.00 C ATOM 1240 CG ASP A 85 85.045 -8.444 -3.978 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.397 -7.505 -4.410 1.00 0.00 O ATOM 1242 OD2 ASP A 85 84.561 -9.380 -3.364 1.00 0.00 O ATOM 0 H ASP A 85 87.395 -9.849 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 85 86.195 -7.231 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.988 -9.368 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 85 86.964 -7.738 -3.307 1.00 0.00 H new ATOM 1247 N GLU A 86 89.374 -7.427 -5.770 1.00 0.00 N ATOM 1248 CA GLU A 86 90.601 -6.648 -5.662 1.00 0.00 C ATOM 1249 C GLU A 86 90.378 -5.261 -6.253 1.00 0.00 C ATOM 1250 O GLU A 86 90.101 -5.132 -7.445 1.00 0.00 O ATOM 1251 CB GLU A 86 91.726 -7.350 -6.425 1.00 0.00 C ATOM 1252 CG GLU A 86 93.073 -6.703 -6.097 1.00 0.00 C ATOM 1253 CD GLU A 86 94.207 -7.569 -6.637 1.00 0.00 C ATOM 1254 OE1 GLU A 86 93.919 -8.493 -7.380 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.347 -7.297 -6.298 1.00 0.00 O ATOM 0 H GLU A 86 89.478 -8.337 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 86 90.878 -6.557 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.749 -8.407 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.539 -7.293 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.124 -5.706 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.176 -6.583 -5.019 1.00 0.00 H new ATOM 1262 N ALA A 87 90.568 -4.231 -5.436 1.00 0.00 N ATOM 1263 CA ALA A 87 90.420 -2.854 -5.898 1.00 0.00 C ATOM 1264 C ALA A 87 90.201 -1.932 -4.702 1.00 0.00 C ATOM 1265 O ALA A 87 90.053 -2.391 -3.570 1.00 0.00 O ATOM 1266 CB ALA A 87 89.253 -2.729 -6.887 1.00 0.00 C ATOM 0 H ALA A 87 90.824 -4.322 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 87 91.333 -2.561 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.164 -1.694 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.437 -3.369 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.328 -3.035 -6.399 1.00 0.00 H new ATOM 1272 N ASP A 88 90.191 -0.628 -4.960 1.00 0.00 N ATOM 1273 CA ASP A 88 89.923 0.359 -3.918 1.00 0.00 C ATOM 1274 C ASP A 88 88.424 0.600 -3.773 1.00 0.00 C ATOM 1275 O ASP A 88 87.687 0.498 -4.752 1.00 0.00 O ATOM 1276 CB ASP A 88 90.619 1.678 -4.266 1.00 0.00 C ATOM 1277 CG ASP A 88 92.131 1.528 -4.130 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.565 0.484 -3.671 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.835 2.433 -4.547 1.00 0.00 O ATOM 0 H ASP A 88 90.366 -0.229 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 88 90.308 -0.024 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.366 1.974 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.264 2.470 -3.606 1.00 0.00 H new ATOM 1284 N TYR A 89 87.970 0.839 -2.545 1.00 0.00 N ATOM 1285 CA TYR A 89 86.548 1.034 -2.268 1.00 0.00 C ATOM 1286 C TYR A 89 86.269 2.466 -1.820 1.00 0.00 C ATOM 1287 O TYR A 89 87.138 3.131 -1.257 1.00 0.00 O ATOM 1288 CB TYR A 89 86.103 0.060 -1.174 1.00 0.00 C ATOM 1289 CG TYR A 89 85.989 -1.337 -1.740 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.128 -2.000 -2.217 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.750 -1.989 -1.763 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.019 -3.288 -2.755 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.648 -3.291 -2.266 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.787 -3.951 -2.742 1.00 0.00 C ATOM 1295 OH TYR A 89 85.692 -5.222 -3.271 1.00 0.00 O ATOM 0 H TYR A 89 88.569 0.903 -1.722 1.00 0.00 H new ATOM 0 HA TYR A 89 85.989 0.845 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.819 0.071 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.143 0.375 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.092 -1.516 -2.169 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.870 -1.485 -1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.887 -3.770 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.689 -3.787 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 89 86.478 -5.404 -3.828 1.00 0.00 H new ATOM 1305 N TYR A 90 85.045 2.930 -2.067 1.00 0.00 N ATOM 1306 CA TYR A 90 84.632 4.280 -1.692 1.00 0.00 C ATOM 1307 C TYR A 90 83.132 4.310 -1.392 1.00 0.00 C ATOM 1308 O TYR A 90 82.378 3.548 -1.996 1.00 0.00 O ATOM 1309 CB TYR A 90 84.976 5.239 -2.836 1.00 0.00 C ATOM 1310 CG TYR A 90 86.416 5.045 -3.252 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.738 4.112 -4.245 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.411 5.890 -2.746 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.073 3.931 -4.628 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.748 5.698 -3.111 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.071 4.759 -4.098 1.00 0.00 C ATOM 1316 OH TYR A 90 90.382 4.619 -4.507 1.00 0.00 O ATOM 0 H TYR A 90 84.317 2.385 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 90 85.160 4.591 -0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.316 5.059 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.815 6.270 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.958 3.532 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.146 6.692 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 90 88.333 3.154 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.528 6.272 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 90 90.942 5.274 -4.040 1.00 0.00 H new ATOM 1326 N CYS A 91 82.702 5.170 -0.464 1.00 0.00 N ATOM 1327 CA CYS A 91 81.291 5.303 -0.091 1.00 0.00 C ATOM 1328 C CYS A 91 80.899 6.779 -0.050 1.00 0.00 C ATOM 1329 O CYS A 91 81.720 7.628 0.294 1.00 0.00 O ATOM 1330 CB CYS A 91 80.935 4.623 1.248 1.00 0.00 C ATOM 1331 SG CYS A 91 82.026 5.078 2.634 1.00 0.00 S ATOM 0 H CYS A 91 83.323 5.794 0.050 1.00 0.00 H new ATOM 0 HA CYS A 91 80.720 4.781 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.908 4.879 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.970 3.542 1.113 1.00 0.00 H new ATOM 1336 N GLN A 92 79.678 7.102 -0.478 1.00 0.00 N ATOM 1337 CA GLN A 92 79.163 8.466 -0.360 1.00 0.00 C ATOM 1338 C GLN A 92 77.789 8.479 0.302 1.00 0.00 C ATOM 1339 O GLN A 92 77.019 7.528 0.174 1.00 0.00 O ATOM 1340 CB GLN A 92 79.068 9.137 -1.735 1.00 0.00 C ATOM 1341 CG GLN A 92 80.207 8.670 -2.643 1.00 0.00 C ATOM 1342 CD GLN A 92 80.087 9.346 -4.007 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.104 10.039 -4.273 1.00 0.00 O ATOM 1344 NE2 GLN A 92 81.044 9.203 -4.884 1.00 0.00 N ATOM 0 H GLN A 92 79.030 6.441 -0.907 1.00 0.00 H new ATOM 0 HA GLN A 92 79.863 9.023 0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.109 8.900 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.108 10.220 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.169 8.911 -2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.172 7.587 -2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 92 81.857 8.629 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 92 80.978 9.666 -5.791 1.00 0.00 H new ATOM 1353 N SER A 93 77.508 9.541 1.055 1.00 0.00 N ATOM 1354 CA SER A 93 76.234 9.675 1.757 1.00 0.00 C ATOM 1355 C SER A 93 75.659 11.079 1.595 1.00 0.00 C ATOM 1356 O SER A 93 76.382 12.033 1.306 1.00 0.00 O ATOM 1357 CB SER A 93 76.421 9.364 3.244 1.00 0.00 C ATOM 1358 OG SER A 93 75.308 9.853 3.979 1.00 0.00 O ATOM 0 H SER A 93 78.148 10.323 1.194 1.00 0.00 H new ATOM 0 HA SER A 93 75.532 8.965 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.522 8.289 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.340 9.823 3.609 1.00 0.00 H new ATOM 0 HG SER A 93 75.430 9.651 4.930 1.00 0.00 H new ATOM 1364 N TYR A 94 74.358 11.201 1.840 1.00 0.00 N ATOM 1365 CA TYR A 94 73.670 12.484 1.730 1.00 0.00 C ATOM 1366 C TYR A 94 72.385 12.447 2.553 1.00 0.00 C ATOM 1367 O TYR A 94 71.631 11.476 2.494 1.00 0.00 O ATOM 1368 CB TYR A 94 73.369 12.816 0.261 1.00 0.00 C ATOM 1369 CG TYR A 94 73.591 11.603 -0.613 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.574 10.654 -0.773 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.846 11.385 -1.194 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.784 9.535 -1.588 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.065 10.254 -1.989 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.019 9.352 -2.219 1.00 0.00 C ATOM 1375 OH TYR A 94 74.226 8.237 -3.004 1.00 0.00 O ATOM 0 H TYR A 94 73.757 10.425 2.117 1.00 0.00 H new ATOM 0 HA TYR A 94 74.317 13.269 2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.339 13.158 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 94 74.009 13.633 -0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 94 71.628 10.785 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.647 12.091 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 94 71.993 8.814 -1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.038 10.078 -2.424 1.00 0.00 H new ATOM 0 HH TYR A 94 73.376 7.955 -3.402 1.00 0.00 H new ATOM 1482 N PHE A 102 81.566 12.581 -0.229 1.00 0.00 N ATOM 1483 CA PHE A 102 82.084 11.294 -0.688 1.00 0.00 C ATOM 1484 C PHE A 102 83.364 10.925 0.052 1.00 0.00 C ATOM 1485 O PHE A 102 84.018 11.778 0.652 1.00 0.00 O ATOM 1486 CB PHE A 102 82.378 11.341 -2.189 1.00 0.00 C ATOM 1487 CG PHE A 102 83.234 12.548 -2.490 1.00 0.00 C ATOM 1488 CD1 PHE A 102 84.620 12.474 -2.311 1.00 0.00 C ATOM 1489 CD2 PHE A 102 82.641 13.747 -2.900 1.00 0.00 C ATOM 1490 CE1 PHE A 102 85.420 13.587 -2.597 1.00 0.00 C ATOM 1491 CE2 PHE A 102 83.439 14.862 -3.180 1.00 0.00 C ATOM 1492 CZ PHE A 102 84.831 14.773 -3.053 1.00 0.00 C ATOM 0 HA PHE A 102 81.322 10.542 -0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.890 10.430 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.446 11.391 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 102 85.072 11.561 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 102 81.568 13.812 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 102 86.491 13.531 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 102 82.982 15.789 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 102 85.451 15.620 -3.307 1.00 0.00 H new ATOM 1502 N GLY A 103 83.698 9.639 0.018 1.00 0.00 N ATOM 1503 CA GLY A 103 84.886 9.156 0.710 1.00 0.00 C ATOM 1504 C GLY A 103 84.892 7.634 0.777 1.00 0.00 C ATOM 1505 O GLY A 103 84.567 6.955 -0.196 1.00 0.00 O ATOM 0 H GLY A 103 83.169 8.920 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.780 9.505 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.918 9.569 1.718 1.00 0.00 H new ATOM 1509 N GLY A 104 85.370 7.112 1.901 1.00 0.00 N ATOM 1510 CA GLY A 104 85.411 5.672 2.112 1.00 0.00 C ATOM 1511 C GLY A 104 86.587 5.038 1.379 1.00 0.00 C ATOM 1512 O GLY A 104 86.529 3.877 0.974 1.00 0.00 O ATOM 0 H GLY A 104 85.734 7.664 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 104 85.488 5.461 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.480 5.225 1.765 1.00 0.00 H new ATOM 1516 N GLY A 105 87.644 5.819 1.180 1.00 0.00 N ATOM 1517 CA GLY A 105 88.812 5.322 0.462 1.00 0.00 C ATOM 1518 C GLY A 105 89.494 4.205 1.245 1.00 0.00 C ATOM 1519 O GLY A 105 90.009 4.429 2.341 1.00 0.00 O ATOM 0 H GLY A 105 87.716 6.785 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.512 4.954 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.516 6.137 0.295 1.00 0.00 H new ATOM 1523 N THR A 106 89.394 2.985 0.728 1.00 0.00 N ATOM 1524 CA THR A 106 90.011 1.820 1.356 1.00 0.00 C ATOM 1525 C THR A 106 90.673 0.940 0.302 1.00 0.00 C ATOM 1526 O THR A 106 90.033 0.529 -0.665 1.00 0.00 O ATOM 1527 CB THR A 106 88.942 1.019 2.105 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.493 1.760 3.230 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.520 -0.316 2.580 1.00 0.00 C ATOM 0 H THR A 106 88.887 2.776 -0.132 1.00 0.00 H new ATOM 0 HA THR A 106 90.773 2.156 2.059 1.00 0.00 H new ATOM 0 HB THR A 106 88.107 0.829 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.560 2.029 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.751 -0.877 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.860 -0.892 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.361 -0.131 3.248 1.00 0.00 H new ATOM 1537 N LYS A 107 91.943 0.614 0.518 1.00 0.00 N ATOM 1538 CA LYS A 107 92.673 -0.254 -0.400 1.00 0.00 C ATOM 1539 C LYS A 107 92.495 -1.719 -0.022 1.00 0.00 C ATOM 1540 O LYS A 107 93.122 -2.213 0.915 1.00 0.00 O ATOM 1541 CB LYS A 107 94.164 0.084 -0.387 1.00 0.00 C ATOM 1542 CG LYS A 107 94.370 1.494 -0.943 1.00 0.00 C ATOM 1543 CD LYS A 107 95.866 1.725 -1.165 1.00 0.00 C ATOM 1544 CE LYS A 107 96.115 3.144 -1.687 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.191 4.076 -0.527 1.00 0.00 N ATOM 0 H LYS A 107 92.487 0.936 1.318 1.00 0.00 H new ATOM 0 HA LYS A 107 92.269 -0.090 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.554 0.021 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.717 -0.639 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.827 1.613 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.973 2.235 -0.249 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.406 1.574 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.251 0.996 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 107 97.042 3.178 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 107 95.313 3.445 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 96.360 5.043 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 95.295 4.047 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 96.971 3.789 0.098 1.00 0.00 H new ATOM 1559 N LEU A 108 91.590 -2.394 -0.722 1.00 0.00 N ATOM 1560 CA LEU A 108 91.384 -3.823 -0.510 1.00 0.00 C ATOM 1561 C LEU A 108 92.268 -4.649 -1.439 1.00 0.00 C ATOM 1562 O LEU A 108 92.172 -4.535 -2.660 1.00 0.00 O ATOM 1563 CB LEU A 108 89.915 -4.164 -0.769 1.00 0.00 C ATOM 1564 CG LEU A 108 89.591 -5.562 -0.233 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.658 -5.600 1.299 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.192 -5.966 -0.708 1.00 0.00 C ATOM 0 H LEU A 108 90.991 -1.979 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 108 91.651 -4.063 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.273 -3.425 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.707 -4.120 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 108 90.332 -6.265 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.423 -6.605 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.661 -5.327 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 108 88.937 -4.895 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 108 87.953 -6.960 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.460 -5.250 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.166 -5.975 -1.798 1.00 0.00 H new ATOM 1578 N THR A 109 93.080 -5.526 -0.856 1.00 0.00 N ATOM 1579 CA THR A 109 93.941 -6.412 -1.635 1.00 0.00 C ATOM 1580 C THR A 109 93.620 -7.871 -1.326 1.00 0.00 C ATOM 1581 O THR A 109 93.721 -8.311 -0.181 1.00 0.00 O ATOM 1582 CB THR A 109 95.411 -6.129 -1.311 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.596 -4.725 -1.212 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.314 -6.682 -2.419 1.00 0.00 C ATOM 0 H THR A 109 93.160 -5.643 0.154 1.00 0.00 H new ATOM 0 HA THR A 109 93.762 -6.228 -2.694 1.00 0.00 H new ATOM 0 HB THR A 109 95.673 -6.612 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.534 -4.533 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.356 -6.474 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.169 -7.759 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.060 -6.207 -3.366 1.00 0.00 H new ATOM 1592 N VAL A 110 93.268 -8.624 -2.363 1.00 0.00 N ATOM 1593 CA VAL A 110 92.976 -10.045 -2.211 1.00 0.00 C ATOM 1594 C VAL A 110 94.265 -10.860 -2.203 1.00 0.00 C ATOM 1595 O VAL A 110 94.332 -11.950 -2.771 1.00 0.00 O ATOM 1596 CB VAL A 110 92.061 -10.491 -3.355 1.00 0.00 C ATOM 1597 CG1 VAL A 110 91.738 -11.989 -3.257 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.776 -9.657 -3.311 1.00 0.00 C ATOM 0 H VAL A 110 93.178 -8.274 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 110 92.472 -10.212 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 110 92.572 -10.333 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.087 -12.276 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.662 -12.565 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.235 -12.192 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.115 -9.965 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.275 -9.811 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.023 -8.602 -3.425 1.00 0.00 H new ATOM 1608 N LEU A 111 95.286 -10.333 -1.536 1.00 0.00 N ATOM 1609 CA LEU A 111 96.566 -11.024 -1.428 1.00 0.00 C ATOM 1610 C LEU A 111 96.932 -11.710 -2.742 1.00 0.00 C ATOM 1611 O LEU A 111 97.393 -12.840 -2.695 1.00 0.00 O ATOM 1612 CB LEU A 111 96.502 -12.051 -0.295 1.00 0.00 C ATOM 1613 CG LEU A 111 96.479 -11.342 1.063 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.147 -12.369 2.150 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.826 -10.671 1.362 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.657 -11.133 -3.781 1.00 0.00 O ATOM 0 H LEU A 111 95.252 -9.430 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 111 97.339 -10.288 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.611 -12.670 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.362 -12.718 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 111 95.720 -10.560 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.128 -11.876 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.171 -12.811 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.906 -13.152 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.779 -10.176 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.613 -11.425 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.045 -9.934 0.589 1.00 0.00 H new