USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 51 LYS NZ :NH3+ 158:sc= 0.635 (180deg=0) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.571 K(o=1.2,f=-1) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 65:sc= 0.508 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 1.01 (180deg=0.932) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.503 (180deg=0.425) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.199 K(o=-0.2,f=-1.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= 0.0372 (180deg=0) USER MOD Single : A 43 MET CE :methyl 176:sc= 0 (180deg=-0.0297) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.298 X(o=-0.3,f=0.056) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 67:sc= 0.827 USER MOD Single : A 54 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 CYS SG : rot -31:sc= -1.4 USER MOD Single : A 56 GLN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.042) USER MOD Single : A 62 MET CE :methyl -119:sc= -0.113 (180deg=-0.648) USER MOD Single : A 64 SER OG : rot 94:sc= 1.29 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.074) USER MOD Single : A 78 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.0027) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -161:sc= 0 (180deg=-0.521) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0317 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 11.129 0.948 -10.415 1.00 25.00 N ATOM 2 CA MET A 4 10.036 1.930 -10.170 1.00 25.00 C ATOM 3 C MET A 4 8.774 1.248 -9.648 1.00 25.00 C ATOM 4 O MET A 4 8.322 1.586 -8.561 1.00 25.00 O ATOM 5 CB MET A 4 9.748 2.735 -11.444 1.00 25.00 C ATOM 6 CG MET A 4 8.701 3.833 -11.275 1.00 25.00 C ATOM 7 SD MET A 4 9.172 5.083 -10.056 1.00 25.00 S ATOM 8 CE MET A 4 10.334 6.123 -10.954 1.00 25.00 C ATOM 0 HA MET A 4 10.369 2.620 -9.395 1.00 25.00 H new ATOM 0 HB2 MET A 4 10.677 3.187 -11.791 1.00 25.00 H new ATOM 0 HB3 MET A 4 9.416 2.050 -12.224 1.00 25.00 H new ATOM 0 HG2 MET A 4 8.533 4.318 -12.237 1.00 25.00 H new ATOM 0 HG3 MET A 4 7.755 3.381 -10.976 1.00 25.00 H new ATOM 0 HE1 MET A 4 10.686 6.922 -10.302 1.00 25.00 H new ATOM 0 HE2 MET A 4 11.182 5.522 -11.282 1.00 25.00 H new ATOM 0 HE3 MET A 4 9.838 6.556 -11.823 1.00 25.00 H new ATOM 18 N SER A 5 8.161 0.324 -10.380 1.00 25.00 N ATOM 19 CA SER A 5 6.793 -0.117 -10.068 1.00 25.00 C ATOM 20 C SER A 5 6.536 -0.760 -8.702 1.00 25.00 C ATOM 21 O SER A 5 5.429 -0.666 -8.177 1.00 25.00 O ATOM 22 CB SER A 5 6.334 -1.091 -11.151 1.00 25.00 C ATOM 23 OG SER A 5 6.601 -0.538 -12.429 1.00 25.00 O ATOM 0 H SER A 5 8.580 -0.135 -11.189 1.00 25.00 H new ATOM 0 HA SER A 5 6.226 0.813 -10.032 1.00 25.00 H new ATOM 0 HB2 SER A 5 6.851 -2.044 -11.040 1.00 25.00 H new ATOM 0 HB3 SER A 5 5.268 -1.292 -11.046 1.00 25.00 H new ATOM 0 HG SER A 5 6.308 -1.164 -13.124 1.00 25.00 H new ATOM 29 N ASP A 6 7.542 -1.377 -8.101 1.00 25.00 N ATOM 30 CA ASP A 6 7.406 -2.001 -6.776 1.00 25.00 C ATOM 31 C ASP A 6 7.341 -0.999 -5.615 1.00 25.00 C ATOM 32 O ASP A 6 6.913 -1.324 -4.509 1.00 25.00 O ATOM 33 CB ASP A 6 8.624 -2.899 -6.561 1.00 25.00 C ATOM 34 CG ASP A 6 8.598 -3.633 -5.229 1.00 25.00 C ATOM 35 OD1 ASP A 6 7.612 -4.333 -4.915 1.00 25.00 O ATOM 36 OD2 ASP A 6 9.605 -3.554 -4.490 1.00 25.00 O ATOM 0 H ASP A 6 8.473 -1.464 -8.507 1.00 25.00 H new ATOM 0 HA ASP A 6 6.462 -2.546 -6.772 1.00 25.00 H new ATOM 0 HB2 ASP A 6 8.677 -3.628 -7.370 1.00 25.00 H new ATOM 0 HB3 ASP A 6 9.529 -2.294 -6.618 1.00 25.00 H new ATOM 41 N GLN A 7 7.804 0.218 -5.850 1.00 25.00 N ATOM 42 CA GLN A 7 8.017 1.189 -4.775 1.00 25.00 C ATOM 43 C GLN A 7 6.722 1.703 -4.134 1.00 25.00 C ATOM 44 O GLN A 7 5.642 1.648 -4.738 1.00 25.00 O ATOM 45 CB GLN A 7 8.840 2.353 -5.327 1.00 25.00 C ATOM 46 CG GLN A 7 10.220 1.921 -5.832 1.00 25.00 C ATOM 47 CD GLN A 7 11.023 3.058 -6.423 1.00 25.00 C ATOM 48 OE1 GLN A 7 10.496 4.096 -6.820 1.00 25.00 O ATOM 49 NE2 GLN A 7 12.308 2.869 -6.504 1.00 25.00 N ATOM 0 H GLN A 7 8.042 0.564 -6.780 1.00 25.00 H new ATOM 0 HA GLN A 7 8.551 0.677 -3.974 1.00 25.00 H new ATOM 0 HB2 GLN A 7 8.292 2.824 -6.142 1.00 25.00 H new ATOM 0 HB3 GLN A 7 8.963 3.106 -4.548 1.00 25.00 H new ATOM 0 HG2 GLN A 7 10.780 1.480 -5.007 1.00 25.00 H new ATOM 0 HG3 GLN A 7 10.097 1.143 -6.585 1.00 25.00 H new ATOM 0 HE21 GLN A 7 12.718 1.998 -6.167 1.00 25.00 H new ATOM 0 HE22 GLN A 7 12.906 3.592 -6.905 1.00 25.00 H new ATOM 58 N GLU A 8 6.830 2.179 -2.900 1.00 25.00 N ATOM 59 CA GLU A 8 5.681 2.573 -2.078 1.00 25.00 C ATOM 60 C GLU A 8 6.025 3.735 -1.148 1.00 25.00 C ATOM 61 O GLU A 8 7.197 4.103 -1.019 1.00 25.00 O ATOM 62 CB GLU A 8 5.219 1.373 -1.242 1.00 25.00 C ATOM 63 CG GLU A 8 6.235 0.881 -0.209 1.00 25.00 C ATOM 64 CD GLU A 8 5.695 -0.278 0.605 1.00 25.00 C ATOM 65 OE1 GLU A 8 5.215 -1.270 0.009 1.00 25.00 O ATOM 66 OE2 GLU A 8 5.724 -0.228 1.856 1.00 25.00 O ATOM 0 H GLU A 8 7.727 2.306 -2.431 1.00 25.00 H new ATOM 0 HA GLU A 8 4.884 2.900 -2.746 1.00 25.00 H new ATOM 0 HB2 GLU A 8 4.298 1.641 -0.725 1.00 25.00 H new ATOM 0 HB3 GLU A 8 4.979 0.550 -1.915 1.00 25.00 H new ATOM 0 HG2 GLU A 8 7.149 0.574 -0.717 1.00 25.00 H new ATOM 0 HG3 GLU A 8 6.501 1.701 0.458 1.00 25.00 H new ATOM 73 N ALA A 9 5.025 4.297 -0.479 1.00 25.00 N ATOM 74 CA ALA A 9 5.253 5.372 0.482 1.00 25.00 C ATOM 75 C ALA A 9 6.147 4.853 1.614 1.00 25.00 C ATOM 76 O ALA A 9 5.937 3.747 2.118 1.00 25.00 O ATOM 77 CB ALA A 9 3.914 5.873 1.029 1.00 25.00 C ATOM 0 H ALA A 9 4.047 4.026 -0.584 1.00 25.00 H new ATOM 0 HA ALA A 9 5.754 6.208 -0.007 1.00 25.00 H new ATOM 0 HB1 ALA A 9 4.091 6.675 1.746 1.00 25.00 H new ATOM 0 HB2 ALA A 9 3.303 6.248 0.208 1.00 25.00 H new ATOM 0 HB3 ALA A 9 3.393 5.053 1.524 1.00 25.00 H new ATOM 83 N LYS A 10 7.153 5.625 2.004 1.00 25.00 N ATOM 84 CA LYS A 10 8.096 5.169 3.029 1.00 25.00 C ATOM 85 C LYS A 10 7.366 4.988 4.366 1.00 25.00 C ATOM 86 O LYS A 10 6.625 5.895 4.782 1.00 25.00 O ATOM 87 CB LYS A 10 9.251 6.166 3.166 1.00 25.00 C ATOM 88 CG LYS A 10 10.392 5.681 4.061 1.00 25.00 C ATOM 89 CD LYS A 10 11.473 6.739 4.184 1.00 25.00 C ATOM 90 CE LYS A 10 12.610 6.282 5.094 1.00 25.00 C ATOM 91 NZ LYS A 10 13.653 7.355 5.218 1.00 25.00 N ATOM 0 H LYS A 10 7.340 6.557 1.635 1.00 25.00 H new ATOM 0 HA LYS A 10 8.513 4.207 2.731 1.00 25.00 H new ATOM 0 HB2 LYS A 10 9.649 6.383 2.175 1.00 25.00 H new ATOM 0 HB3 LYS A 10 8.863 7.103 3.566 1.00 25.00 H new ATOM 0 HG2 LYS A 10 10.004 5.435 5.050 1.00 25.00 H new ATOM 0 HG3 LYS A 10 10.818 4.766 3.649 1.00 25.00 H new ATOM 0 HD2 LYS A 10 11.869 6.971 3.195 1.00 25.00 H new ATOM 0 HD3 LYS A 10 11.039 7.658 4.577 1.00 25.00 H new ATOM 0 HE2 LYS A 10 12.217 6.034 6.080 1.00 25.00 H new ATOM 0 HE3 LYS A 10 13.061 5.374 4.693 1.00 25.00 H new ATOM 0 HZ1 LYS A 10 14.418 7.025 5.841 1.00 25.00 H new ATOM 0 HZ2 LYS A 10 14.041 7.572 4.278 1.00 25.00 H new ATOM 0 HZ3 LYS A 10 13.223 8.212 5.621 1.00 25.00 H new ATOM 105 N PRO A 11 7.529 3.834 5.040 1.00 25.00 N ATOM 106 CA PRO A 11 6.851 3.685 6.332 1.00 25.00 C ATOM 107 C PRO A 11 7.551 4.465 7.440 1.00 25.00 C ATOM 108 O PRO A 11 8.700 4.885 7.280 1.00 25.00 O ATOM 109 CB PRO A 11 6.950 2.177 6.583 1.00 25.00 C ATOM 110 CG PRO A 11 8.239 1.809 5.984 1.00 25.00 C ATOM 111 CD PRO A 11 8.290 2.612 4.710 1.00 25.00 C ATOM 0 HA PRO A 11 5.831 4.069 6.322 1.00 25.00 H new ATOM 0 HB2 PRO A 11 6.922 1.946 7.648 1.00 25.00 H new ATOM 0 HB3 PRO A 11 6.124 1.639 6.118 1.00 25.00 H new ATOM 0 HG2 PRO A 11 9.071 2.054 6.644 1.00 25.00 H new ATOM 0 HG3 PRO A 11 8.296 0.739 5.784 1.00 25.00 H new ATOM 0 HD2 PRO A 11 9.316 2.844 4.423 1.00 25.00 H new ATOM 0 HD3 PRO A 11 7.840 2.072 3.877 1.00 25.00 H new ATOM 119 N SER A 12 6.896 4.634 8.581 1.00 25.00 N ATOM 120 CA SER A 12 7.552 5.231 9.746 1.00 25.00 C ATOM 121 C SER A 12 8.716 4.326 10.135 1.00 25.00 C ATOM 122 O SER A 12 8.579 3.096 10.135 1.00 25.00 O ATOM 123 CB SER A 12 6.574 5.369 10.909 1.00 25.00 C ATOM 124 OG SER A 12 5.462 6.153 10.502 1.00 25.00 O ATOM 0 H SER A 12 5.922 4.371 8.729 1.00 25.00 H new ATOM 0 HA SER A 12 7.910 6.231 9.502 1.00 25.00 H new ATOM 0 HB2 SER A 12 6.239 4.384 11.235 1.00 25.00 H new ATOM 0 HB3 SER A 12 7.069 5.835 11.761 1.00 25.00 H new ATOM 0 HG SER A 12 4.833 6.240 11.248 1.00 25.00 H new ATOM 130 N THR A 13 9.874 4.922 10.378 1.00 25.00 N ATOM 131 CA THR A 13 11.114 4.173 10.576 1.00 25.00 C ATOM 132 C THR A 13 11.850 4.740 11.783 1.00 25.00 C ATOM 133 O THR A 13 12.289 5.888 11.748 1.00 25.00 O ATOM 134 CB THR A 13 12.006 4.278 9.311 1.00 25.00 C ATOM 135 OG1 THR A 13 11.257 3.860 8.163 1.00 25.00 O ATOM 136 CG2 THR A 13 13.230 3.382 9.383 1.00 25.00 C ATOM 0 H THR A 13 9.984 5.934 10.444 1.00 25.00 H new ATOM 0 HA THR A 13 10.882 3.122 10.751 1.00 25.00 H new ATOM 0 HB THR A 13 12.325 5.318 9.243 1.00 25.00 H new ATOM 0 HG1 THR A 13 10.511 4.479 8.016 1.00 25.00 H new ATOM 0 HG21 THR A 13 13.818 3.495 8.472 1.00 25.00 H new ATOM 0 HG22 THR A 13 13.837 3.663 10.244 1.00 25.00 H new ATOM 0 HG23 THR A 13 12.915 2.343 9.485 1.00 25.00 H new ATOM 144 N GLU A 14 11.938 3.950 12.848 1.00 25.00 N ATOM 145 CA GLU A 14 12.579 4.324 14.122 1.00 25.00 C ATOM 146 C GLU A 14 12.101 5.672 14.697 1.00 25.00 C ATOM 147 O GLU A 14 12.850 6.385 15.371 1.00 25.00 O ATOM 148 CB GLU A 14 14.112 4.318 13.978 1.00 25.00 C ATOM 149 CG GLU A 14 14.704 3.012 13.448 1.00 25.00 C ATOM 150 CD GLU A 14 14.430 1.814 14.344 1.00 25.00 C ATOM 151 OE1 GLU A 14 14.940 1.753 15.486 1.00 25.00 O ATOM 152 OE2 GLU A 14 13.726 0.876 13.907 1.00 25.00 O ATOM 0 H GLU A 14 11.557 3.004 12.858 1.00 25.00 H new ATOM 0 HA GLU A 14 12.271 3.565 14.841 1.00 25.00 H new ATOM 0 HB2 GLU A 14 14.403 5.129 13.310 1.00 25.00 H new ATOM 0 HB3 GLU A 14 14.555 4.532 14.951 1.00 25.00 H new ATOM 0 HG2 GLU A 14 14.298 2.814 12.456 1.00 25.00 H new ATOM 0 HG3 GLU A 14 15.781 3.131 13.333 1.00 25.00 H new ATOM 159 N ASP A 15 10.864 6.047 14.400 1.00 25.00 N ATOM 160 CA ASP A 15 10.330 7.379 14.717 1.00 25.00 C ATOM 161 C ASP A 15 9.547 7.347 16.029 1.00 25.00 C ATOM 162 O ASP A 15 9.044 8.362 16.517 1.00 25.00 O ATOM 163 CB ASP A 15 9.421 7.870 13.581 1.00 25.00 C ATOM 164 CG ASP A 15 10.185 8.205 12.309 1.00 25.00 C ATOM 165 OD1 ASP A 15 11.242 8.880 12.370 1.00 25.00 O ATOM 166 OD2 ASP A 15 9.718 7.822 11.207 1.00 25.00 O ATOM 0 H ASP A 15 10.194 5.438 13.930 1.00 25.00 H new ATOM 0 HA ASP A 15 11.169 8.067 14.827 1.00 25.00 H new ATOM 0 HB2 ASP A 15 8.678 7.103 13.361 1.00 25.00 H new ATOM 0 HB3 ASP A 15 8.877 8.754 13.915 1.00 25.00 H new ATOM 171 N LEU A 16 9.462 6.157 16.603 1.00 25.00 N ATOM 172 CA LEU A 16 8.863 5.933 17.918 1.00 25.00 C ATOM 173 C LEU A 16 9.766 6.464 19.036 1.00 25.00 C ATOM 174 O LEU A 16 10.956 6.716 18.821 1.00 25.00 O ATOM 175 CB LEU A 16 8.613 4.429 18.124 1.00 25.00 C ATOM 176 CG LEU A 16 9.767 3.468 18.479 1.00 25.00 C ATOM 177 CD1 LEU A 16 9.185 2.081 18.723 1.00 50.00 C ATOM 178 CD2 LEU A 16 10.873 3.353 17.427 1.00 50.00 C ATOM 0 H LEU A 16 9.811 5.304 16.165 1.00 25.00 H new ATOM 0 HA LEU A 16 7.917 6.473 17.958 1.00 25.00 H new ATOM 0 HB2 LEU A 16 7.867 4.336 18.913 1.00 25.00 H new ATOM 0 HB3 LEU A 16 8.157 4.054 17.208 1.00 25.00 H new ATOM 0 HG LEU A 16 10.243 3.892 19.364 1.00 25.00 H new ATOM 0 HD11 LEU A 16 9.988 1.389 18.975 1.00 50.00 H new ATOM 0 HD12 LEU A 16 8.472 2.125 19.546 1.00 50.00 H new ATOM 0 HD13 LEU A 16 8.678 1.736 17.822 1.00 50.00 H new ATOM 0 HD21 LEU A 16 11.634 2.654 17.774 1.00 50.00 H new ATOM 0 HD22 LEU A 16 10.448 2.992 16.491 1.00 50.00 H new ATOM 0 HD23 LEU A 16 11.325 4.332 17.266 1.00 50.00 H new ATOM 190 N GLY A 17 9.226 6.592 20.241 1.00 25.00 N ATOM 191 CA GLY A 17 10.021 7.011 21.386 1.00 25.00 C ATOM 192 C GLY A 17 10.421 8.471 21.321 1.00 25.00 C ATOM 193 O GLY A 17 11.506 8.847 21.754 1.00 25.00 O ATOM 0 H GLY A 17 8.244 6.412 20.450 1.00 25.00 H new ATOM 0 HA2 GLY A 17 9.454 6.835 22.300 1.00 25.00 H new ATOM 0 HA3 GLY A 17 10.919 6.395 21.444 1.00 25.00 H new ATOM 197 N ASP A 18 9.572 9.299 20.730 1.00 25.00 N ATOM 198 CA ASP A 18 9.936 10.684 20.420 1.00 25.00 C ATOM 199 C ASP A 18 10.202 11.605 21.617 1.00 25.00 C ATOM 200 O ASP A 18 10.906 12.602 21.483 1.00 25.00 O ATOM 201 CB ASP A 18 8.888 11.334 19.511 1.00 25.00 C ATOM 202 CG ASP A 18 7.656 11.801 20.265 1.00 25.00 C ATOM 203 OD1 ASP A 18 6.903 10.969 20.821 1.00 25.00 O ATOM 204 OD2 ASP A 18 7.419 13.028 20.301 1.00 25.00 O ATOM 0 H ASP A 18 8.625 9.041 20.453 1.00 25.00 H new ATOM 0 HA ASP A 18 10.897 10.583 19.915 1.00 25.00 H new ATOM 0 HB2 ASP A 18 9.337 12.184 18.998 1.00 25.00 H new ATOM 0 HB3 ASP A 18 8.589 10.621 18.743 1.00 25.00 H new ATOM 209 N LYS A 19 9.686 11.290 22.799 1.00 25.00 N ATOM 210 CA LYS A 19 10.056 12.045 24.003 1.00 25.00 C ATOM 211 C LYS A 19 11.447 11.626 24.478 1.00 25.00 C ATOM 212 O LYS A 19 12.269 12.460 24.858 1.00 25.00 O ATOM 213 CB LYS A 19 9.036 11.809 25.126 1.00 25.00 C ATOM 214 CG LYS A 19 9.285 12.641 26.383 1.00 25.00 C ATOM 215 CD LYS A 19 8.342 12.255 27.514 1.00 25.00 C ATOM 216 CE LYS A 19 8.652 13.070 28.761 1.00 25.00 C ATOM 217 NZ LYS A 19 7.838 12.648 29.945 1.00 25.00 N ATOM 0 H LYS A 19 9.022 10.532 22.955 1.00 25.00 H new ATOM 0 HA LYS A 19 10.063 13.106 23.753 1.00 25.00 H new ATOM 0 HB2 LYS A 19 8.038 12.032 24.748 1.00 25.00 H new ATOM 0 HB3 LYS A 19 9.046 10.753 25.395 1.00 25.00 H new ATOM 0 HG2 LYS A 19 10.317 12.507 26.709 1.00 25.00 H new ATOM 0 HG3 LYS A 19 9.159 13.698 26.150 1.00 25.00 H new ATOM 0 HD2 LYS A 19 7.309 12.423 27.209 1.00 25.00 H new ATOM 0 HD3 LYS A 19 8.441 11.192 27.732 1.00 25.00 H new ATOM 0 HE2 LYS A 19 9.711 12.972 29.000 1.00 25.00 H new ATOM 0 HE3 LYS A 19 8.468 14.125 28.556 1.00 25.00 H new ATOM 0 HZ1 LYS A 19 8.089 13.235 30.766 1.00 25.00 H new ATOM 0 HZ2 LYS A 19 6.827 12.766 29.731 1.00 25.00 H new ATOM 0 HZ3 LYS A 19 8.032 11.649 30.161 1.00 25.00 H new ATOM 231 N LYS A 20 11.700 10.323 24.497 1.00 25.00 N ATOM 232 CA LYS A 20 12.943 9.784 25.056 1.00 25.00 C ATOM 233 C LYS A 20 14.151 10.008 24.155 1.00 25.00 C ATOM 234 O LYS A 20 15.234 10.329 24.640 1.00 25.00 O ATOM 235 CB LYS A 20 12.749 8.288 25.332 1.00 25.00 C ATOM 236 CG LYS A 20 13.861 7.650 26.149 1.00 25.00 C ATOM 237 CD LYS A 20 13.577 6.179 26.408 1.00 25.00 C ATOM 238 CE LYS A 20 14.593 5.538 27.347 1.00 25.00 C ATOM 239 NZ LYS A 20 15.987 5.522 26.804 1.00 25.00 N ATOM 0 H LYS A 20 11.062 9.615 24.132 1.00 25.00 H new ATOM 0 HA LYS A 20 13.155 10.321 25.980 1.00 25.00 H new ATOM 0 HB2 LYS A 20 11.804 8.147 25.856 1.00 25.00 H new ATOM 0 HB3 LYS A 20 12.667 7.763 24.380 1.00 25.00 H new ATOM 0 HG2 LYS A 20 14.809 7.753 25.621 1.00 25.00 H new ATOM 0 HG3 LYS A 20 13.966 8.176 27.098 1.00 25.00 H new ATOM 0 HD2 LYS A 20 12.579 6.076 26.834 1.00 25.00 H new ATOM 0 HD3 LYS A 20 13.576 5.641 25.460 1.00 25.00 H new ATOM 0 HE2 LYS A 20 14.588 6.076 28.295 1.00 25.00 H new ATOM 0 HE3 LYS A 20 14.283 4.515 27.559 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 16.644 5.199 27.543 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 16.035 4.876 25.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 16.252 6.481 26.500 1.00 25.00 H new ATOM 253 N GLU A 21 13.954 9.828 22.857 1.00 25.00 N ATOM 254 CA GLU A 21 14.954 9.963 21.781 1.00 25.00 C ATOM 255 C GLU A 21 16.204 9.062 21.804 1.00 25.00 C ATOM 256 O GLU A 21 16.797 8.806 20.752 1.00 25.00 O ATOM 257 CB GLU A 21 15.385 11.429 21.610 1.00 25.00 C ATOM 258 CG GLU A 21 14.225 12.397 21.408 1.00 25.00 C ATOM 259 CD GLU A 21 14.677 13.786 20.981 1.00 25.00 C ATOM 260 OE1 GLU A 21 15.498 14.431 21.674 1.00 25.00 O ATOM 261 OE2 GLU A 21 14.216 14.257 19.912 1.00 25.00 O ATOM 0 H GLU A 21 13.038 9.567 22.493 1.00 25.00 H new ATOM 0 HA GLU A 21 14.394 9.588 20.924 1.00 25.00 H new ATOM 0 HB2 GLU A 21 15.951 11.735 22.489 1.00 25.00 H new ATOM 0 HB3 GLU A 21 16.058 11.502 20.756 1.00 25.00 H new ATOM 0 HG2 GLU A 21 13.549 11.993 20.654 1.00 25.00 H new ATOM 0 HG3 GLU A 21 13.658 12.475 22.336 1.00 25.00 H new ATOM 268 N GLY A 22 16.607 8.544 22.955 1.00 25.00 N ATOM 269 CA GLY A 22 17.728 7.623 23.039 1.00 25.00 C ATOM 270 C GLY A 22 18.061 7.313 24.483 1.00 25.00 C ATOM 271 O GLY A 22 17.384 7.797 25.392 1.00 25.00 O ATOM 0 H GLY A 22 16.168 8.750 23.852 1.00 25.00 H new ATOM 0 HA2 GLY A 22 17.487 6.701 22.510 1.00 25.00 H new ATOM 0 HA3 GLY A 22 18.598 8.056 22.545 1.00 25.00 H new ATOM 275 N GLU A 23 19.106 6.538 24.710 1.00 25.00 N ATOM 276 CA GLU A 23 19.641 6.278 26.047 1.00 25.00 C ATOM 277 C GLU A 23 21.043 6.864 25.944 1.00 25.00 C ATOM 278 O GLU A 23 21.643 6.740 24.884 1.00 25.00 O ATOM 279 CB GLU A 23 19.656 4.771 26.335 1.00 25.00 C ATOM 280 CG GLU A 23 20.121 4.399 27.737 1.00 25.00 C ATOM 281 CD GLU A 23 19.183 4.920 28.815 1.00 25.00 C ATOM 282 OE1 GLU A 23 17.975 4.577 28.827 1.00 25.00 O ATOM 283 OE2 GLU A 23 19.645 5.730 29.652 1.00 25.00 O ATOM 0 H GLU A 23 19.618 6.063 23.967 1.00 25.00 H new ATOM 0 HA GLU A 23 19.061 6.709 26.863 1.00 25.00 H new ATOM 0 HB2 GLU A 23 18.652 4.375 26.182 1.00 25.00 H new ATOM 0 HB3 GLU A 23 20.306 4.282 25.609 1.00 25.00 H new ATOM 0 HG2 GLU A 23 20.195 3.314 27.817 1.00 25.00 H new ATOM 0 HG3 GLU A 23 21.121 4.800 27.904 1.00 25.00 H new ATOM 290 N TYR A 24 21.537 7.556 26.964 1.00 25.00 N ATOM 291 CA TYR A 24 22.760 8.357 26.836 1.00 25.00 C ATOM 292 C TYR A 24 23.900 7.992 27.784 1.00 25.00 C ATOM 293 O TYR A 24 23.698 7.315 28.798 1.00 25.00 O ATOM 294 CB TYR A 24 22.395 9.831 27.020 1.00 25.00 C ATOM 295 CG TYR A 24 21.465 10.338 25.936 1.00 25.00 C ATOM 296 CD1 TYR A 24 20.064 10.235 26.066 1.00 25.00 C ATOM 297 CD2 TYR A 24 21.988 10.911 24.759 1.00 25.00 C ATOM 298 CE1 TYR A 24 19.203 10.675 25.028 1.00 25.00 C ATOM 299 CE2 TYR A 24 21.128 11.390 23.739 1.00 25.00 C ATOM 300 CZ TYR A 24 19.743 11.265 23.882 1.00 25.00 C ATOM 301 OH TYR A 24 18.919 11.741 22.896 1.00 25.00 O ATOM 0 H TYR A 24 21.113 7.582 27.891 1.00 25.00 H new ATOM 0 HA TYR A 24 23.151 8.142 25.841 1.00 25.00 H new ATOM 0 HB2 TYR A 24 21.922 9.966 27.993 1.00 25.00 H new ATOM 0 HB3 TYR A 24 23.306 10.430 27.022 1.00 25.00 H new ATOM 0 HD1 TYR A 24 19.642 9.816 26.967 1.00 25.00 H new ATOM 0 HD2 TYR A 24 23.058 10.986 24.633 1.00 25.00 H new ATOM 0 HE1 TYR A 24 18.134 10.554 25.123 1.00 25.00 H new ATOM 0 HE2 TYR A 24 21.542 11.850 22.854 1.00 25.00 H new ATOM 0 HH TYR A 24 19.460 12.120 22.172 1.00 25.00 H new ATOM 311 N ILE A 25 25.096 8.447 27.436 1.00 25.00 N ATOM 312 CA ILE A 25 26.315 8.239 28.214 1.00 25.00 C ATOM 313 C ILE A 25 27.178 9.488 27.985 1.00 25.00 C ATOM 314 O ILE A 25 26.997 10.196 26.987 1.00 25.00 O ATOM 315 CB ILE A 25 27.017 6.915 27.741 1.00 25.00 C ATOM 316 CG1 ILE A 25 28.036 6.415 28.779 1.00 25.00 C ATOM 317 CG2 ILE A 25 27.664 7.075 26.345 1.00 25.00 C ATOM 318 CD1 ILE A 25 28.552 4.986 28.545 1.00 25.00 C ATOM 0 H ILE A 25 25.252 8.985 26.584 1.00 25.00 H new ATOM 0 HA ILE A 25 26.126 8.116 29.280 1.00 25.00 H new ATOM 0 HB ILE A 25 26.241 6.155 27.651 1.00 25.00 H new ATOM 0 HG12 ILE A 25 28.887 7.096 28.788 1.00 25.00 H new ATOM 0 HG13 ILE A 25 27.579 6.463 29.767 1.00 25.00 H new ATOM 0 HG21 ILE A 25 28.139 6.138 26.054 1.00 25.00 H new ATOM 0 HG22 ILE A 25 26.896 7.334 25.616 1.00 25.00 H new ATOM 0 HG23 ILE A 25 28.413 7.866 26.380 1.00 25.00 H new ATOM 0 HD11 ILE A 25 29.264 4.724 29.327 1.00 25.00 H new ATOM 0 HD12 ILE A 25 27.715 4.288 28.568 1.00 25.00 H new ATOM 0 HD13 ILE A 25 29.043 4.931 27.574 1.00 25.00 H new ATOM 330 N LYS A 26 28.122 9.775 28.870 1.00 25.00 N ATOM 331 CA LYS A 26 29.116 10.825 28.631 1.00 25.00 C ATOM 332 C LYS A 26 30.463 10.136 28.524 1.00 25.00 C ATOM 333 O LYS A 26 30.798 9.287 29.351 1.00 25.00 O ATOM 334 CB LYS A 26 29.155 11.822 29.783 1.00 25.00 C ATOM 335 CG LYS A 26 27.918 12.675 29.944 1.00 25.00 C ATOM 336 CD LYS A 26 28.171 13.678 31.053 1.00 25.00 C ATOM 337 CE LYS A 26 26.980 14.589 31.253 1.00 25.00 C ATOM 338 NZ LYS A 26 27.291 15.643 32.268 1.00 25.00 N ATOM 0 H LYS A 26 28.225 9.296 29.765 1.00 25.00 H new ATOM 0 HA LYS A 26 28.865 11.377 27.725 1.00 25.00 H new ATOM 0 HB2 LYS A 26 29.321 11.274 30.710 1.00 25.00 H new ATOM 0 HB3 LYS A 26 30.013 12.479 29.644 1.00 25.00 H new ATOM 0 HG2 LYS A 26 27.688 13.190 29.011 1.00 25.00 H new ATOM 0 HG3 LYS A 26 27.056 12.052 30.185 1.00 25.00 H new ATOM 0 HD2 LYS A 26 28.387 13.150 31.982 1.00 25.00 H new ATOM 0 HD3 LYS A 26 29.051 14.274 30.813 1.00 25.00 H new ATOM 0 HE2 LYS A 26 26.709 15.056 30.306 1.00 25.00 H new ATOM 0 HE3 LYS A 26 26.119 14.005 31.578 1.00 25.00 H new ATOM 0 HZ1 LYS A 26 26.463 16.260 32.393 1.00 25.00 H new ATOM 0 HZ2 LYS A 26 27.527 15.192 33.175 1.00 25.00 H new ATOM 0 HZ3 LYS A 26 28.099 16.211 31.942 1.00 25.00 H new ATOM 352 N LEU A 27 31.223 10.469 27.495 1.00 25.00 N ATOM 353 CA LEU A 27 32.499 9.809 27.245 1.00 25.00 C ATOM 354 C LEU A 27 33.444 10.776 26.551 1.00 25.00 C ATOM 355 O LEU A 27 33.086 11.357 25.524 1.00 25.00 O ATOM 356 CB LEU A 27 32.250 8.587 26.350 1.00 25.00 C ATOM 357 CG LEU A 27 33.420 7.658 25.995 1.00 25.00 C ATOM 358 CD1 LEU A 27 34.044 7.007 27.228 1.00 50.00 C ATOM 359 CD2 LEU A 27 32.908 6.583 25.042 1.00 50.00 C ATOM 0 H LEU A 27 30.981 11.192 26.817 1.00 25.00 H new ATOM 0 HA LEU A 27 32.949 9.492 28.186 1.00 25.00 H new ATOM 0 HB2 LEU A 27 31.485 7.979 26.833 1.00 25.00 H new ATOM 0 HB3 LEU A 27 31.825 8.949 25.414 1.00 25.00 H new ATOM 0 HG LEU A 27 34.202 8.255 25.526 1.00 25.00 H new ATOM 0 HD11 LEU A 27 34.866 6.360 26.921 1.00 50.00 H new ATOM 0 HD12 LEU A 27 34.421 7.781 27.897 1.00 50.00 H new ATOM 0 HD13 LEU A 27 33.291 6.414 27.747 1.00 50.00 H new ATOM 0 HD21 LEU A 27 33.725 5.912 24.778 1.00 50.00 H new ATOM 0 HD22 LEU A 27 32.114 6.015 25.527 1.00 50.00 H new ATOM 0 HD23 LEU A 27 32.518 7.053 24.139 1.00 50.00 H new ATOM 371 N LYS A 28 34.637 10.957 27.097 1.00 25.00 N ATOM 372 CA LYS A 28 35.674 11.722 26.414 1.00 25.00 C ATOM 373 C LYS A 28 36.303 10.767 25.421 1.00 25.00 C ATOM 374 O LYS A 28 36.565 9.618 25.767 1.00 25.00 O ATOM 375 CB LYS A 28 36.772 12.185 27.370 1.00 25.00 C ATOM 376 CG LYS A 28 36.342 13.238 28.368 1.00 25.00 C ATOM 377 CD LYS A 28 37.552 13.725 29.134 1.00 25.00 C ATOM 378 CE LYS A 28 37.207 14.867 30.060 1.00 25.00 C ATOM 379 NZ LYS A 28 38.467 15.439 30.629 1.00 25.00 N ATOM 0 H LYS A 28 34.912 10.587 28.007 1.00 25.00 H new ATOM 0 HA LYS A 28 35.234 12.609 25.958 1.00 25.00 H new ATOM 0 HB2 LYS A 28 37.148 11.319 27.916 1.00 25.00 H new ATOM 0 HB3 LYS A 28 37.603 12.578 26.784 1.00 25.00 H new ATOM 0 HG2 LYS A 28 35.865 14.071 27.852 1.00 25.00 H new ATOM 0 HG3 LYS A 28 35.604 12.824 29.056 1.00 25.00 H new ATOM 0 HD2 LYS A 28 37.971 12.902 29.713 1.00 25.00 H new ATOM 0 HD3 LYS A 28 38.322 14.046 28.432 1.00 25.00 H new ATOM 0 HE2 LYS A 28 36.657 15.636 29.518 1.00 25.00 H new ATOM 0 HE3 LYS A 28 36.558 14.516 30.863 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 38.234 16.081 31.413 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 39.070 14.668 30.981 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 38.974 15.965 29.889 1.00 25.00 H new ATOM 393 N VAL A 29 36.586 11.244 24.226 1.00 25.00 N ATOM 394 CA VAL A 29 37.300 10.465 23.222 1.00 25.00 C ATOM 395 C VAL A 29 38.559 11.267 22.945 1.00 25.00 C ATOM 396 O VAL A 29 38.473 12.397 22.477 1.00 25.00 O ATOM 397 CB VAL A 29 36.462 10.291 21.926 1.00 25.00 C ATOM 398 CG1 VAL A 29 37.219 9.440 20.891 1.00 50.00 C ATOM 399 CG2 VAL A 29 35.094 9.658 22.242 1.00 50.00 C ATOM 0 H VAL A 29 36.330 12.182 23.919 1.00 25.00 H new ATOM 0 HA VAL A 29 37.513 9.454 23.571 1.00 25.00 H new ATOM 0 HB VAL A 29 36.296 11.280 21.500 1.00 25.00 H new ATOM 0 HG11 VAL A 29 36.611 9.333 19.993 1.00 50.00 H new ATOM 0 HG12 VAL A 29 38.160 9.928 20.636 1.00 50.00 H new ATOM 0 HG13 VAL A 29 37.424 8.455 21.310 1.00 50.00 H new ATOM 0 HG21 VAL A 29 34.524 9.545 21.320 1.00 50.00 H new ATOM 0 HG22 VAL A 29 35.243 8.680 22.699 1.00 50.00 H new ATOM 0 HG23 VAL A 29 34.546 10.301 22.931 1.00 50.00 H new ATOM 409 N ILE A 30 39.729 10.738 23.264 1.00 25.00 N ATOM 410 CA ILE A 30 40.963 11.452 22.932 1.00 25.00 C ATOM 411 C ILE A 30 41.362 10.934 21.557 1.00 25.00 C ATOM 412 O ILE A 30 41.663 9.747 21.385 1.00 25.00 O ATOM 413 CB ILE A 30 42.085 11.299 23.994 1.00 25.00 C ATOM 414 CG1 ILE A 30 41.564 11.813 25.355 1.00 25.00 C ATOM 415 CG2 ILE A 30 43.347 12.092 23.553 1.00 25.00 C ATOM 416 CD1 ILE A 30 42.513 11.661 26.552 1.00 25.00 C ATOM 0 H ILE A 30 39.856 9.844 23.738 1.00 25.00 H new ATOM 0 HA ILE A 30 40.798 12.529 22.923 1.00 25.00 H new ATOM 0 HB ILE A 30 42.362 10.249 24.091 1.00 25.00 H new ATOM 0 HG12 ILE A 30 41.315 12.869 25.249 1.00 25.00 H new ATOM 0 HG13 ILE A 30 40.637 11.289 25.586 1.00 25.00 H new ATOM 0 HG21 ILE A 30 44.129 11.979 24.304 1.00 25.00 H new ATOM 0 HG22 ILE A 30 43.703 11.707 22.598 1.00 25.00 H new ATOM 0 HG23 ILE A 30 43.095 13.147 23.448 1.00 25.00 H new ATOM 0 HD11 ILE A 30 42.035 12.057 27.448 1.00 25.00 H new ATOM 0 HD12 ILE A 30 42.745 10.606 26.701 1.00 25.00 H new ATOM 0 HD13 ILE A 30 43.434 12.211 26.358 1.00 25.00 H new ATOM 428 N GLY A 31 41.306 11.829 20.581 1.00 25.00 N ATOM 429 CA GLY A 31 41.587 11.502 19.195 1.00 25.00 C ATOM 430 C GLY A 31 43.047 11.227 18.898 1.00 25.00 C ATOM 431 O GLY A 31 43.917 11.419 19.752 1.00 25.00 O ATOM 0 H GLY A 31 41.063 12.808 20.732 1.00 25.00 H new ATOM 0 HA2 GLY A 31 41.001 10.626 18.916 1.00 25.00 H new ATOM 0 HA3 GLY A 31 41.250 12.325 18.565 1.00 25.00 H new ATOM 435 N GLN A 32 43.341 10.811 17.673 1.00 25.00 N ATOM 436 CA GLN A 32 44.710 10.470 17.281 1.00 25.00 C ATOM 437 C GLN A 32 45.654 11.678 17.280 1.00 25.00 C ATOM 438 O GLN A 32 46.864 11.513 17.410 1.00 25.00 O ATOM 439 CB GLN A 32 44.731 9.768 15.912 1.00 25.00 C ATOM 440 CG GLN A 32 44.403 10.666 14.711 1.00 25.00 C ATOM 441 CD GLN A 32 44.416 9.926 13.388 1.00 25.00 C ATOM 442 OE1 GLN A 32 43.866 8.843 13.247 1.00 25.00 O ATOM 443 NE2 GLN A 32 45.031 10.513 12.400 1.00 25.00 N ATOM 0 H GLN A 32 42.651 10.700 16.930 1.00 25.00 H new ATOM 0 HA GLN A 32 45.082 9.782 18.040 1.00 25.00 H new ATOM 0 HB2 GLN A 32 45.719 9.332 15.760 1.00 25.00 H new ATOM 0 HB3 GLN A 32 44.019 8.943 15.934 1.00 25.00 H new ATOM 0 HG2 GLN A 32 43.421 11.114 14.859 1.00 25.00 H new ATOM 0 HG3 GLN A 32 45.123 11.483 14.670 1.00 25.00 H new ATOM 0 HE21 GLN A 32 45.482 11.416 12.545 1.00 25.00 H new ATOM 0 HE22 GLN A 32 45.061 10.069 11.482 1.00 25.00 H new ATOM 452 N ASP A 33 45.123 12.891 17.172 1.00 25.00 N ATOM 453 CA ASP A 33 45.944 14.111 17.189 1.00 25.00 C ATOM 454 C ASP A 33 45.972 14.741 18.587 1.00 25.00 C ATOM 455 O ASP A 33 46.304 15.917 18.760 1.00 25.00 O ATOM 456 CB ASP A 33 45.399 15.113 16.164 1.00 25.00 C ATOM 457 CG ASP A 33 46.432 16.155 15.746 1.00 25.00 C ATOM 458 OD1 ASP A 33 47.655 15.884 15.812 1.00 25.00 O ATOM 459 OD2 ASP A 33 46.030 17.254 15.302 1.00 25.00 O ATOM 0 H ASP A 33 44.123 13.063 17.071 1.00 25.00 H new ATOM 0 HA ASP A 33 46.967 13.843 16.924 1.00 25.00 H new ATOM 0 HB2 ASP A 33 45.058 14.573 15.281 1.00 25.00 H new ATOM 0 HB3 ASP A 33 44.530 15.619 16.584 1.00 25.00 H new ATOM 464 N SER A 34 45.568 13.944 19.571 1.00 25.00 N ATOM 465 CA SER A 34 45.442 14.314 20.990 1.00 25.00 C ATOM 466 C SER A 34 44.372 15.365 21.286 1.00 25.00 C ATOM 467 O SER A 34 44.344 15.969 22.363 1.00 25.00 O ATOM 468 CB SER A 34 46.792 14.710 21.601 1.00 25.00 C ATOM 469 OG SER A 34 47.737 13.669 21.411 1.00 25.00 O ATOM 0 H SER A 34 45.305 12.974 19.400 1.00 25.00 H new ATOM 0 HA SER A 34 45.093 13.404 21.478 1.00 25.00 H new ATOM 0 HB2 SER A 34 47.154 15.629 21.139 1.00 25.00 H new ATOM 0 HB3 SER A 34 46.673 14.914 22.665 1.00 25.00 H new ATOM 0 HG SER A 34 48.596 13.932 21.803 1.00 25.00 H new ATOM 475 N SER A 35 43.458 15.550 20.342 1.00 25.00 N ATOM 476 CA SER A 35 42.292 16.406 20.549 1.00 25.00 C ATOM 477 C SER A 35 41.293 15.661 21.419 1.00 25.00 C ATOM 478 O SER A 35 40.845 14.577 21.063 1.00 25.00 O ATOM 479 CB SER A 35 41.617 16.738 19.223 1.00 25.00 C ATOM 480 OG SER A 35 42.460 17.545 18.414 1.00 25.00 O ATOM 0 H SER A 35 43.501 15.117 19.420 1.00 25.00 H new ATOM 0 HA SER A 35 42.618 17.332 21.023 1.00 25.00 H new ATOM 0 HB2 SER A 35 41.372 15.817 18.694 1.00 25.00 H new ATOM 0 HB3 SER A 35 40.677 17.258 19.409 1.00 25.00 H new ATOM 0 HG SER A 35 42.008 17.744 17.568 1.00 25.00 H new ATOM 486 N GLU A 36 40.959 16.222 22.566 1.00 25.00 N ATOM 487 CA GLU A 36 39.981 15.620 23.461 1.00 25.00 C ATOM 488 C GLU A 36 38.591 16.079 23.024 1.00 25.00 C ATOM 489 O GLU A 36 38.291 17.274 23.027 1.00 25.00 O ATOM 490 CB GLU A 36 40.298 16.047 24.893 1.00 25.00 C ATOM 491 CG GLU A 36 39.417 15.435 25.958 1.00 25.00 C ATOM 492 CD GLU A 36 39.886 15.838 27.345 1.00 25.00 C ATOM 493 OE1 GLU A 36 40.936 15.340 27.801 1.00 25.00 O ATOM 494 OE2 GLU A 36 39.209 16.651 28.013 1.00 25.00 O ATOM 0 H GLU A 36 41.352 17.100 22.904 1.00 25.00 H new ATOM 0 HA GLU A 36 40.015 14.531 23.421 1.00 25.00 H new ATOM 0 HB2 GLU A 36 41.335 15.790 25.110 1.00 25.00 H new ATOM 0 HB3 GLU A 36 40.218 17.132 24.958 1.00 25.00 H new ATOM 0 HG2 GLU A 36 38.386 15.755 25.811 1.00 25.00 H new ATOM 0 HG3 GLU A 36 39.430 14.349 25.866 1.00 25.00 H new ATOM 501 N ILE A 37 37.764 15.139 22.600 1.00 25.00 N ATOM 502 CA ILE A 37 36.416 15.411 22.107 1.00 25.00 C ATOM 503 C ILE A 37 35.480 14.979 23.229 1.00 25.00 C ATOM 504 O ILE A 37 35.597 13.851 23.706 1.00 25.00 O ATOM 505 CB ILE A 37 36.121 14.569 20.823 1.00 25.00 C ATOM 506 CG1 ILE A 37 37.160 14.882 19.725 1.00 25.00 C ATOM 507 CG2 ILE A 37 34.677 14.821 20.314 1.00 25.00 C ATOM 508 CD1 ILE A 37 37.147 13.936 18.514 1.00 25.00 C ATOM 0 H ILE A 37 38.010 14.149 22.587 1.00 25.00 H new ATOM 0 HA ILE A 37 36.291 16.461 21.844 1.00 25.00 H new ATOM 0 HB ILE A 37 36.202 13.512 21.078 1.00 25.00 H new ATOM 0 HG12 ILE A 37 36.994 15.899 19.371 1.00 25.00 H new ATOM 0 HG13 ILE A 37 38.154 14.858 20.172 1.00 25.00 H new ATOM 0 HG21 ILE A 37 34.497 14.224 19.420 1.00 25.00 H new ATOM 0 HG22 ILE A 37 33.964 14.539 21.089 1.00 25.00 H new ATOM 0 HG23 ILE A 37 34.555 15.877 20.075 1.00 25.00 H new ATOM 0 HD11 ILE A 37 37.914 14.244 17.803 1.00 25.00 H new ATOM 0 HD12 ILE A 37 37.348 12.917 18.846 1.00 25.00 H new ATOM 0 HD13 ILE A 37 36.170 13.975 18.033 1.00 25.00 H new ATOM 520 N HIS A 38 34.571 15.837 23.678 1.00 25.00 N ATOM 521 CA HIS A 38 33.606 15.428 24.698 1.00 25.00 C ATOM 522 C HIS A 38 32.237 16.092 24.570 1.00 25.00 C ATOM 523 O HIS A 38 32.098 17.317 24.672 1.00 25.00 O ATOM 524 CB HIS A 38 34.171 15.708 26.093 1.00 25.00 C ATOM 525 CG HIS A 38 33.362 15.113 27.205 1.00 25.00 C ATOM 526 ND1 HIS A 38 33.349 15.595 28.490 1.00 25.00 N ATOM 527 CD2 HIS A 38 32.529 14.038 27.227 1.00 25.00 C ATOM 528 CE1 HIS A 38 32.562 14.807 29.225 1.00 25.00 C ATOM 529 NE2 HIS A 38 32.018 13.854 28.493 1.00 25.00 N ATOM 0 H HIS A 38 34.480 16.802 23.361 1.00 25.00 H new ATOM 0 HA HIS A 38 33.449 14.361 24.543 1.00 25.00 H new ATOM 0 HB2 HIS A 38 35.188 15.319 26.148 1.00 25.00 H new ATOM 0 HB3 HIS A 38 34.234 16.786 26.239 1.00 25.00 H new ATOM 0 HD1 HIS A 38 33.854 16.415 28.826 1.00 25.00 H new ATOM 0 HD2 HIS A 38 32.301 13.417 26.373 1.00 25.00 H new ATOM 0 HE1 HIS A 38 32.392 14.933 30.284 1.00 25.00 H new ATOM 537 N PHE A 39 31.232 15.250 24.373 1.00 25.00 N ATOM 538 CA PHE A 39 29.823 15.629 24.371 1.00 25.00 C ATOM 539 C PHE A 39 29.067 14.520 25.102 1.00 25.00 C ATOM 540 O PHE A 39 29.580 13.397 25.211 1.00 25.00 O ATOM 541 CB PHE A 39 29.288 15.703 22.934 1.00 25.00 C ATOM 542 CG PHE A 39 29.966 16.739 22.079 1.00 25.00 C ATOM 543 CD1 PHE A 39 29.512 18.070 22.088 1.00 25.00 C ATOM 544 CD2 PHE A 39 31.045 16.390 21.247 1.00 25.00 C ATOM 545 CE1 PHE A 39 30.125 19.052 21.268 1.00 25.00 C ATOM 546 CE2 PHE A 39 31.677 17.362 20.431 1.00 25.00 C ATOM 547 CZ PHE A 39 31.214 18.697 20.443 1.00 25.00 C ATOM 0 H PHE A 39 31.377 14.254 24.205 1.00 25.00 H new ATOM 0 HA PHE A 39 29.696 16.602 24.845 1.00 25.00 H new ATOM 0 HB2 PHE A 39 29.404 14.727 22.464 1.00 25.00 H new ATOM 0 HB3 PHE A 39 28.220 15.916 22.966 1.00 25.00 H new ATOM 0 HD1 PHE A 39 28.687 18.348 22.727 1.00 25.00 H new ATOM 0 HD2 PHE A 39 31.396 15.369 21.230 1.00 25.00 H new ATOM 0 HE1 PHE A 39 29.760 20.068 21.275 1.00 25.00 H new ATOM 0 HE2 PHE A 39 32.510 17.083 19.802 1.00 25.00 H new ATOM 0 HZ PHE A 39 31.691 19.442 19.824 1.00 25.00 H new ATOM 557 N LYS A 40 27.829 14.787 25.501 1.00 25.00 N ATOM 558 CA LYS A 40 26.882 13.718 25.830 1.00 25.00 C ATOM 559 C LYS A 40 26.607 13.049 24.490 1.00 25.00 C ATOM 560 O LYS A 40 26.347 13.748 23.504 1.00 25.00 O ATOM 561 CB LYS A 40 25.575 14.289 26.401 1.00 25.00 C ATOM 562 CG LYS A 40 24.552 13.216 26.806 1.00 25.00 C ATOM 563 CD LYS A 40 23.186 13.779 27.228 1.00 25.00 C ATOM 564 CE LYS A 40 22.355 14.282 26.041 1.00 25.00 C ATOM 565 NZ LYS A 40 20.971 14.734 26.406 1.00 25.00 N ATOM 0 H LYS A 40 27.454 15.730 25.606 1.00 25.00 H new ATOM 0 HA LYS A 40 27.278 13.037 26.584 1.00 25.00 H new ATOM 0 HB2 LYS A 40 25.808 14.902 27.271 1.00 25.00 H new ATOM 0 HB3 LYS A 40 25.123 14.947 25.659 1.00 25.00 H new ATOM 0 HG2 LYS A 40 24.408 12.532 25.969 1.00 25.00 H new ATOM 0 HG3 LYS A 40 24.962 12.631 27.629 1.00 25.00 H new ATOM 0 HD2 LYS A 40 22.627 13.006 27.755 1.00 25.00 H new ATOM 0 HD3 LYS A 40 23.338 14.598 27.932 1.00 25.00 H new ATOM 0 HE2 LYS A 40 22.882 15.110 25.568 1.00 25.00 H new ATOM 0 HE3 LYS A 40 22.281 13.486 25.300 1.00 25.00 H new ATOM 0 HZ1 LYS A 40 20.475 15.058 25.551 1.00 25.00 H new ATOM 0 HZ2 LYS A 40 20.448 13.942 26.830 1.00 25.00 H new ATOM 0 HZ3 LYS A 40 21.030 15.516 27.090 1.00 25.00 H new ATOM 579 N VAL A 41 26.650 11.730 24.443 1.00 25.00 N ATOM 580 CA VAL A 41 26.403 10.974 23.216 1.00 25.00 C ATOM 581 C VAL A 41 25.430 9.867 23.594 1.00 25.00 C ATOM 582 O VAL A 41 25.221 9.609 24.781 1.00 25.00 O ATOM 583 CB VAL A 41 27.721 10.400 22.603 1.00 25.00 C ATOM 584 CG1 VAL A 41 28.619 11.537 22.095 1.00 50.00 C ATOM 585 CG2 VAL A 41 28.506 9.544 23.608 1.00 50.00 C ATOM 0 H VAL A 41 26.857 11.146 25.253 1.00 25.00 H new ATOM 0 HA VAL A 41 25.987 11.618 22.441 1.00 25.00 H new ATOM 0 HB VAL A 41 27.427 9.760 21.771 1.00 25.00 H new ATOM 0 HG11 VAL A 41 29.532 11.118 21.672 1.00 50.00 H new ATOM 0 HG12 VAL A 41 28.090 12.103 21.328 1.00 50.00 H new ATOM 0 HG13 VAL A 41 28.873 12.198 22.924 1.00 50.00 H new ATOM 0 HG21 VAL A 41 29.413 9.168 23.135 1.00 50.00 H new ATOM 0 HG22 VAL A 41 28.773 10.151 24.473 1.00 50.00 H new ATOM 0 HG23 VAL A 41 27.890 8.704 23.930 1.00 50.00 H new ATOM 595 N LYS A 42 24.820 9.209 22.622 1.00 25.00 N ATOM 596 CA LYS A 42 23.950 8.076 22.938 1.00 25.00 C ATOM 597 C LYS A 42 24.820 6.921 23.420 1.00 25.00 C ATOM 598 O LYS A 42 26.009 6.857 23.097 1.00 25.00 O ATOM 599 CB LYS A 42 23.096 7.691 21.731 1.00 25.00 C ATOM 600 CG LYS A 42 22.018 8.729 21.453 1.00 25.00 C ATOM 601 CD LYS A 42 21.171 8.345 20.265 1.00 25.00 C ATOM 602 CE LYS A 42 20.086 9.378 20.004 1.00 25.00 C ATOM 603 NZ LYS A 42 19.311 8.995 18.782 1.00 25.00 N ATOM 0 H LYS A 42 24.904 9.428 21.629 1.00 25.00 H new ATOM 0 HA LYS A 42 23.253 8.347 23.731 1.00 25.00 H new ATOM 0 HB2 LYS A 42 23.733 7.583 20.853 1.00 25.00 H new ATOM 0 HB3 LYS A 42 22.631 6.721 21.908 1.00 25.00 H new ATOM 0 HG2 LYS A 42 21.384 8.840 22.332 1.00 25.00 H new ATOM 0 HG3 LYS A 42 22.483 9.698 21.271 1.00 25.00 H new ATOM 0 HD2 LYS A 42 21.802 8.246 19.382 1.00 25.00 H new ATOM 0 HD3 LYS A 42 20.714 7.371 20.441 1.00 25.00 H new ATOM 0 HE2 LYS A 42 19.419 9.445 20.864 1.00 25.00 H new ATOM 0 HE3 LYS A 42 20.533 10.363 19.870 1.00 25.00 H new ATOM 0 HZ1 LYS A 42 19.334 9.777 18.097 1.00 25.00 H new ATOM 0 HZ2 LYS A 42 19.735 8.147 18.354 1.00 25.00 H new ATOM 0 HZ3 LYS A 42 18.325 8.794 19.045 1.00 25.00 H new ATOM 617 N MET A 43 24.234 6.033 24.208 1.00 25.00 N ATOM 618 CA MET A 43 24.942 4.913 24.824 1.00 25.00 C ATOM 619 C MET A 43 25.568 4.068 23.721 1.00 25.00 C ATOM 620 O MET A 43 24.924 3.763 22.707 1.00 25.00 O ATOM 621 CB MET A 43 23.977 4.097 25.690 1.00 25.00 C ATOM 622 CG MET A 43 24.640 2.978 26.485 1.00 25.00 C ATOM 623 SD MET A 43 23.474 2.094 27.549 1.00 25.00 S ATOM 624 CE MET A 43 22.488 1.145 26.353 1.00 25.00 C ATOM 0 H MET A 43 23.242 6.067 24.443 1.00 25.00 H new ATOM 0 HA MET A 43 25.735 5.275 25.478 1.00 25.00 H new ATOM 0 HB2 MET A 43 23.472 4.770 26.384 1.00 25.00 H new ATOM 0 HB3 MET A 43 23.209 3.665 25.049 1.00 25.00 H new ATOM 0 HG2 MET A 43 25.103 2.273 25.795 1.00 25.00 H new ATOM 0 HG3 MET A 43 25.439 3.396 27.097 1.00 25.00 H new ATOM 0 HE1 MET A 43 21.784 0.507 26.887 1.00 25.00 H new ATOM 0 HE2 MET A 43 21.939 1.831 25.708 1.00 25.00 H new ATOM 0 HE3 MET A 43 23.149 0.527 25.745 1.00 25.00 H new ATOM 634 N THR A 44 26.852 3.784 23.864 1.00 25.00 N ATOM 635 CA THR A 44 27.628 3.264 22.747 1.00 25.00 C ATOM 636 C THR A 44 27.358 1.785 22.498 1.00 25.00 C ATOM 637 O THR A 44 27.011 1.030 23.413 1.00 25.00 O ATOM 638 CB THR A 44 29.140 3.459 22.963 1.00 25.00 C ATOM 639 OG1 THR A 44 29.553 2.760 24.139 1.00 25.00 O ATOM 640 CG2 THR A 44 29.504 4.923 23.157 1.00 25.00 C ATOM 0 H THR A 44 27.376 3.902 24.731 1.00 25.00 H new ATOM 0 HA THR A 44 27.309 3.835 21.875 1.00 25.00 H new ATOM 0 HB THR A 44 29.639 3.078 22.072 1.00 25.00 H new ATOM 0 HG1 THR A 44 30.516 2.885 24.273 1.00 25.00 H new ATOM 0 HG21 THR A 44 30.580 5.014 23.306 1.00 25.00 H new ATOM 0 HG22 THR A 44 29.211 5.491 22.274 1.00 25.00 H new ATOM 0 HG23 THR A 44 28.983 5.315 24.030 1.00 25.00 H new ATOM 648 N THR A 45 27.508 1.390 21.245 1.00 25.00 N ATOM 649 CA THR A 45 27.337 0.003 20.821 1.00 25.00 C ATOM 650 C THR A 45 28.625 -0.768 21.113 1.00 25.00 C ATOM 651 O THR A 45 29.683 -0.163 21.331 1.00 25.00 O ATOM 652 CB THR A 45 26.961 -0.041 19.318 1.00 25.00 C ATOM 653 OG1 THR A 45 26.551 -1.359 18.946 1.00 25.00 O ATOM 654 CG2 THR A 45 28.103 0.363 18.409 1.00 25.00 C ATOM 0 H THR A 45 27.754 2.024 20.485 1.00 25.00 H new ATOM 0 HA THR A 45 26.525 -0.469 21.374 1.00 25.00 H new ATOM 0 HB THR A 45 26.149 0.676 19.193 1.00 25.00 H new ATOM 0 HG1 THR A 45 26.315 -1.372 17.995 1.00 25.00 H new ATOM 0 HG21 THR A 45 27.777 0.312 17.370 1.00 25.00 H new ATOM 0 HG22 THR A 45 28.411 1.382 18.643 1.00 25.00 H new ATOM 0 HG23 THR A 45 28.944 -0.314 18.559 1.00 25.00 H new ATOM 662 N HIS A 46 28.549 -2.092 21.143 1.00 25.00 N ATOM 663 CA HIS A 46 29.715 -2.934 21.426 1.00 25.00 C ATOM 664 C HIS A 46 30.845 -2.737 20.424 1.00 25.00 C ATOM 665 O HIS A 46 30.614 -2.413 19.258 1.00 25.00 O ATOM 666 CB HIS A 46 29.319 -4.409 21.535 1.00 25.00 C ATOM 667 CG HIS A 46 28.911 -5.042 20.240 1.00 25.00 C ATOM 668 ND1 HIS A 46 27.619 -4.975 19.733 1.00 25.00 N ATOM 669 CD2 HIS A 46 29.590 -5.816 19.354 1.00 25.00 C ATOM 670 CE1 HIS A 46 27.548 -5.690 18.624 1.00 25.00 C ATOM 671 NE2 HIS A 46 28.733 -6.180 18.355 1.00 25.00 N ATOM 0 H HIS A 46 27.689 -2.613 20.974 1.00 25.00 H new ATOM 0 HA HIS A 46 30.102 -2.612 22.393 1.00 25.00 H new ATOM 0 HB2 HIS A 46 30.159 -4.968 21.949 1.00 25.00 H new ATOM 0 HB3 HIS A 46 28.496 -4.499 22.244 1.00 25.00 H new ATOM 0 HD2 HIS A 46 30.631 -6.096 19.427 1.00 25.00 H new ATOM 0 HE1 HIS A 46 26.657 -5.845 18.034 1.00 25.00 H new ATOM 0 HE2 HIS A 46 28.975 -6.739 17.537 1.00 25.00 H new ATOM 680 N LEU A 47 32.068 -2.926 20.901 1.00 25.00 N ATOM 681 CA LEU A 47 33.291 -2.547 20.191 1.00 25.00 C ATOM 682 C LEU A 47 33.388 -2.949 18.721 1.00 25.00 C ATOM 683 O LEU A 47 33.822 -2.135 17.909 1.00 25.00 O ATOM 684 CB LEU A 47 34.499 -3.061 20.986 1.00 25.00 C ATOM 685 CG LEU A 47 35.952 -2.689 20.636 1.00 25.00 C ATOM 686 CD1 LEU A 47 36.546 -3.572 19.549 1.00 50.00 C ATOM 687 CD2 LEU A 47 36.134 -1.215 20.262 1.00 50.00 C ATOM 0 H LEU A 47 32.246 -3.355 21.809 1.00 25.00 H new ATOM 0 HA LEU A 47 33.272 -1.458 20.140 1.00 25.00 H new ATOM 0 HB2 LEU A 47 34.342 -2.755 22.020 1.00 25.00 H new ATOM 0 HB3 LEU A 47 34.444 -4.149 20.963 1.00 25.00 H new ATOM 0 HG LEU A 47 36.501 -2.867 21.561 1.00 25.00 H new ATOM 0 HD11 LEU A 47 37.571 -3.261 19.347 1.00 50.00 H new ATOM 0 HD12 LEU A 47 36.541 -4.610 19.881 1.00 50.00 H new ATOM 0 HD13 LEU A 47 35.952 -3.479 18.640 1.00 50.00 H new ATOM 0 HD21 LEU A 47 37.182 -1.026 20.028 1.00 50.00 H new ATOM 0 HD22 LEU A 47 35.520 -0.982 19.392 1.00 50.00 H new ATOM 0 HD23 LEU A 47 35.830 -0.587 21.099 1.00 50.00 H new ATOM 699 N LYS A 48 32.959 -4.141 18.327 1.00 25.00 N ATOM 700 CA LYS A 48 33.019 -4.489 16.900 1.00 25.00 C ATOM 701 C LYS A 48 32.213 -3.516 16.035 1.00 25.00 C ATOM 702 O LYS A 48 32.713 -3.002 15.039 1.00 25.00 O ATOM 703 CB LYS A 48 32.576 -5.934 16.642 1.00 25.00 C ATOM 704 CG LYS A 48 32.875 -6.378 15.214 1.00 25.00 C ATOM 705 CD LYS A 48 32.486 -7.812 14.919 1.00 25.00 C ATOM 706 CE LYS A 48 32.813 -8.145 13.465 1.00 25.00 C ATOM 707 NZ LYS A 48 32.360 -9.515 13.063 1.00 25.00 N ATOM 0 H LYS A 48 32.579 -4.862 18.941 1.00 25.00 H new ATOM 0 HA LYS A 48 34.066 -4.403 16.609 1.00 25.00 H new ATOM 0 HB2 LYS A 48 33.083 -6.599 17.342 1.00 25.00 H new ATOM 0 HB3 LYS A 48 31.507 -6.025 16.833 1.00 25.00 H new ATOM 0 HG2 LYS A 48 32.349 -5.720 14.522 1.00 25.00 H new ATOM 0 HG3 LYS A 48 33.941 -6.255 15.022 1.00 25.00 H new ATOM 0 HD2 LYS A 48 33.020 -8.489 15.586 1.00 25.00 H new ATOM 0 HD3 LYS A 48 31.422 -7.956 15.105 1.00 25.00 H new ATOM 0 HE2 LYS A 48 32.343 -7.407 12.814 1.00 25.00 H new ATOM 0 HE3 LYS A 48 33.889 -8.065 13.313 1.00 25.00 H new ATOM 0 HZ1 LYS A 48 32.609 -9.685 12.068 1.00 25.00 H new ATOM 0 HZ2 LYS A 48 32.827 -10.225 13.662 1.00 25.00 H new ATOM 0 HZ3 LYS A 48 31.329 -9.588 13.180 1.00 25.00 H new ATOM 721 N LYS A 49 30.992 -3.196 16.442 1.00 25.00 N ATOM 722 CA LYS A 49 30.172 -2.238 15.694 1.00 25.00 C ATOM 723 C LYS A 49 30.631 -0.809 15.947 1.00 25.00 C ATOM 724 O LYS A 49 30.454 0.054 15.101 1.00 25.00 O ATOM 725 CB LYS A 49 28.697 -2.351 16.074 1.00 25.00 C ATOM 726 CG LYS A 49 27.985 -3.566 15.513 1.00 25.00 C ATOM 727 CD LYS A 49 26.513 -3.509 15.891 1.00 25.00 C ATOM 728 CE LYS A 49 25.730 -4.702 15.354 1.00 25.00 C ATOM 729 NZ LYS A 49 24.327 -4.680 15.893 1.00 25.00 N ATOM 0 H LYS A 49 30.546 -3.578 17.276 1.00 25.00 H new ATOM 0 HA LYS A 49 30.292 -2.479 14.638 1.00 25.00 H new ATOM 0 HB2 LYS A 49 28.617 -2.371 17.161 1.00 25.00 H new ATOM 0 HB3 LYS A 49 28.179 -1.455 15.733 1.00 25.00 H new ATOM 0 HG2 LYS A 49 28.092 -3.595 14.429 1.00 25.00 H new ATOM 0 HG3 LYS A 49 28.437 -4.478 15.903 1.00 25.00 H new ATOM 0 HD2 LYS A 49 26.420 -3.475 16.977 1.00 25.00 H new ATOM 0 HD3 LYS A 49 26.077 -2.588 15.505 1.00 25.00 H new ATOM 0 HE2 LYS A 49 25.710 -4.674 14.265 1.00 25.00 H new ATOM 0 HE3 LYS A 49 26.224 -5.631 15.640 1.00 25.00 H new ATOM 0 HZ1 LYS A 49 23.800 -5.496 15.522 1.00 25.00 H new ATOM 0 HZ2 LYS A 49 24.353 -4.727 16.932 1.00 25.00 H new ATOM 0 HZ3 LYS A 49 23.856 -3.801 15.599 1.00 25.00 H new ATOM 743 N LEU A 50 31.247 -0.547 17.090 1.00 25.00 N ATOM 744 CA LEU A 50 31.770 0.788 17.385 1.00 25.00 C ATOM 745 C LEU A 50 32.900 1.118 16.412 1.00 25.00 C ATOM 746 O LEU A 50 32.940 2.207 15.839 1.00 25.00 O ATOM 747 CB LEU A 50 32.231 0.839 18.849 1.00 25.00 C ATOM 748 CG LEU A 50 32.632 2.139 19.564 1.00 25.00 C ATOM 749 CD1 LEU A 50 34.003 2.654 19.155 1.00 75.00 C ATOM 750 CD2 LEU A 50 31.580 3.229 19.392 1.00 75.00 C ATOM 0 H LEU A 50 31.399 -1.234 17.828 1.00 25.00 H new ATOM 0 HA LEU A 50 30.993 1.542 17.255 1.00 25.00 H new ATOM 0 HB2 LEU A 50 31.428 0.398 19.440 1.00 25.00 H new ATOM 0 HB3 LEU A 50 33.088 0.169 18.925 1.00 25.00 H new ATOM 0 HG LEU A 50 32.694 1.880 20.621 1.00 25.00 H new ATOM 0 HD11 LEU A 50 34.223 3.574 19.697 1.00 75.00 H new ATOM 0 HD12 LEU A 50 34.758 1.904 19.391 1.00 75.00 H new ATOM 0 HD13 LEU A 50 34.012 2.854 18.083 1.00 75.00 H new ATOM 0 HD21 LEU A 50 31.902 4.131 19.912 1.00 75.00 H new ATOM 0 HD22 LEU A 50 31.453 3.448 18.332 1.00 75.00 H new ATOM 0 HD23 LEU A 50 30.632 2.889 19.809 1.00 75.00 H new ATOM 762 N LYS A 51 33.764 0.144 16.145 1.00 25.00 N ATOM 763 CA LYS A 51 34.811 0.304 15.135 1.00 25.00 C ATOM 764 C LYS A 51 34.203 0.582 13.774 1.00 25.00 C ATOM 765 O LYS A 51 34.688 1.448 13.051 1.00 25.00 O ATOM 766 CB LYS A 51 35.676 -0.952 15.017 1.00 25.00 C ATOM 767 CG LYS A 51 36.776 -1.063 16.049 1.00 25.00 C ATOM 768 CD LYS A 51 37.657 -2.267 15.759 1.00 25.00 C ATOM 769 CE LYS A 51 38.871 -2.287 16.675 1.00 25.00 C ATOM 770 NZ LYS A 51 39.771 -3.448 16.378 1.00 25.00 N ATOM 0 H LYS A 51 33.762 -0.763 16.611 1.00 25.00 H new ATOM 0 HA LYS A 51 35.429 1.143 15.455 1.00 25.00 H new ATOM 0 HB2 LYS A 51 35.033 -1.828 15.097 1.00 25.00 H new ATOM 0 HB3 LYS A 51 36.125 -0.975 14.024 1.00 25.00 H new ATOM 0 HG2 LYS A 51 37.379 -0.155 16.046 1.00 25.00 H new ATOM 0 HG3 LYS A 51 36.341 -1.154 17.044 1.00 25.00 H new ATOM 0 HD2 LYS A 51 37.082 -3.183 15.891 1.00 25.00 H new ATOM 0 HD3 LYS A 51 37.982 -2.242 14.719 1.00 25.00 H new ATOM 0 HE2 LYS A 51 39.428 -1.357 16.562 1.00 25.00 H new ATOM 0 HE3 LYS A 51 38.543 -2.337 17.713 1.00 25.00 H new ATOM 0 HZ1 LYS A 51 40.728 -3.244 16.729 1.00 25.00 H new ATOM 0 HZ2 LYS A 51 39.405 -4.300 16.848 1.00 25.00 H new ATOM 0 HZ3 LYS A 51 39.805 -3.607 15.351 1.00 25.00 H new ATOM 784 N GLU A 52 33.140 -0.123 13.425 1.00 25.00 N ATOM 785 CA GLU A 52 32.484 0.111 12.140 1.00 25.00 C ATOM 786 C GLU A 52 31.834 1.490 12.070 1.00 25.00 C ATOM 787 O GLU A 52 31.899 2.165 11.049 1.00 25.00 O ATOM 788 CB GLU A 52 31.446 -0.966 11.836 1.00 25.00 C ATOM 789 CG GLU A 52 32.073 -2.329 11.646 1.00 25.00 C ATOM 790 CD GLU A 52 31.097 -3.348 11.103 1.00 25.00 C ATOM 791 OE1 GLU A 52 30.068 -3.661 11.744 1.00 25.00 O ATOM 792 OE2 GLU A 52 31.369 -3.883 10.003 1.00 25.00 O ATOM 0 H GLU A 52 32.715 -0.851 13.999 1.00 25.00 H new ATOM 0 HA GLU A 52 33.268 0.066 11.384 1.00 25.00 H new ATOM 0 HB2 GLU A 52 30.723 -1.011 12.651 1.00 25.00 H new ATOM 0 HB3 GLU A 52 30.895 -0.693 10.936 1.00 25.00 H new ATOM 0 HG2 GLU A 52 32.920 -2.243 10.965 1.00 25.00 H new ATOM 0 HG3 GLU A 52 32.466 -2.680 12.600 1.00 25.00 H new ATOM 799 N SER A 53 31.244 1.948 13.163 1.00 25.00 N ATOM 800 CA SER A 53 30.616 3.266 13.192 1.00 25.00 C ATOM 801 C SER A 53 31.655 4.361 12.964 1.00 25.00 C ATOM 802 O SER A 53 31.435 5.303 12.196 1.00 25.00 O ATOM 803 CB SER A 53 29.927 3.484 14.539 1.00 25.00 C ATOM 804 OG SER A 53 28.949 2.483 14.780 1.00 25.00 O ATOM 0 H SER A 53 31.185 1.431 14.040 1.00 25.00 H new ATOM 0 HA SER A 53 29.876 3.314 12.393 1.00 25.00 H new ATOM 0 HB2 SER A 53 30.669 3.471 15.337 1.00 25.00 H new ATOM 0 HB3 SER A 53 29.457 4.467 14.556 1.00 25.00 H new ATOM 0 HG SER A 53 29.391 1.616 14.899 1.00 25.00 H new ATOM 810 N TYR A 54 32.809 4.211 13.600 1.00 25.00 N ATOM 811 CA TYR A 54 33.913 5.157 13.445 1.00 25.00 C ATOM 812 C TYR A 54 34.523 5.107 12.049 1.00 25.00 C ATOM 813 O TYR A 54 34.974 6.125 11.523 1.00 25.00 O ATOM 814 CB TYR A 54 35.017 4.844 14.459 1.00 25.00 C ATOM 815 CG TYR A 54 34.882 5.584 15.775 1.00 25.00 C ATOM 816 CD1 TYR A 54 33.776 5.382 16.627 1.00 25.00 C ATOM 817 CD2 TYR A 54 35.873 6.507 16.173 1.00 25.00 C ATOM 818 CE1 TYR A 54 33.655 6.102 17.848 1.00 25.00 C ATOM 819 CE2 TYR A 54 35.762 7.216 17.398 1.00 25.00 C ATOM 820 CZ TYR A 54 34.650 7.010 18.215 1.00 25.00 C ATOM 821 OH TYR A 54 34.543 7.718 19.382 1.00 25.00 O ATOM 0 H TYR A 54 33.009 3.437 14.234 1.00 25.00 H new ATOM 0 HA TYR A 54 33.501 6.152 13.611 1.00 25.00 H new ATOM 0 HB2 TYR A 54 35.020 3.772 14.657 1.00 25.00 H new ATOM 0 HB3 TYR A 54 35.982 5.089 14.015 1.00 25.00 H new ATOM 0 HD1 TYR A 54 33.011 4.672 16.349 1.00 25.00 H new ATOM 0 HD2 TYR A 54 36.729 6.676 15.536 1.00 25.00 H new ATOM 0 HE1 TYR A 54 32.798 5.947 18.487 1.00 25.00 H new ATOM 0 HE2 TYR A 54 36.534 7.911 17.696 1.00 25.00 H new ATOM 0 HH TYR A 54 34.043 7.191 20.040 1.00 25.00 H new ATOM 831 N CYS A 55 34.579 3.936 11.433 1.00 25.00 N ATOM 832 CA CYS A 55 35.247 3.828 10.144 1.00 25.00 C ATOM 833 C CYS A 55 34.371 4.266 8.976 1.00 25.00 C ATOM 834 O CYS A 55 34.855 4.925 8.056 1.00 25.00 O ATOM 835 CB CYS A 55 35.761 2.408 9.939 1.00 25.00 C ATOM 836 SG CYS A 55 34.544 1.173 9.406 1.00 25.00 S ATOM 0 H CYS A 55 34.182 3.068 11.792 1.00 25.00 H new ATOM 0 HA CYS A 55 36.090 4.519 10.163 1.00 25.00 H new ATOM 0 HB2 CYS A 55 36.561 2.439 9.200 1.00 25.00 H new ATOM 0 HB3 CYS A 55 36.204 2.068 10.875 1.00 25.00 H new ATOM 0 HG CYS A 55 33.377 1.476 9.892 1.00 25.00 H new ATOM 841 N GLN A 56 33.079 3.965 9.020 1.00 25.00 N ATOM 842 CA GLN A 56 32.185 4.305 7.913 1.00 25.00 C ATOM 843 C GLN A 56 32.062 5.808 7.746 1.00 25.00 C ATOM 844 O GLN A 56 32.114 6.312 6.627 1.00 25.00 O ATOM 845 CB GLN A 56 30.793 3.713 8.129 1.00 25.00 C ATOM 846 CG GLN A 56 30.738 2.204 7.972 1.00 25.00 C ATOM 847 CD GLN A 56 29.360 1.664 8.257 1.00 25.00 C ATOM 848 OE1 GLN A 56 28.446 1.800 7.455 1.00 25.00 O ATOM 849 NE2 GLN A 56 29.188 1.075 9.408 1.00 25.00 N ATOM 0 H GLN A 56 32.627 3.490 9.802 1.00 25.00 H new ATOM 0 HA GLN A 56 32.622 3.880 7.009 1.00 25.00 H new ATOM 0 HB2 GLN A 56 30.447 3.978 9.128 1.00 25.00 H new ATOM 0 HB3 GLN A 56 30.101 4.168 7.421 1.00 25.00 H new ATOM 0 HG2 GLN A 56 31.033 1.933 6.958 1.00 25.00 H new ATOM 0 HG3 GLN A 56 31.457 1.741 8.648 1.00 25.00 H new ATOM 0 HE21 GLN A 56 29.972 0.978 10.054 1.00 25.00 H new ATOM 0 HE22 GLN A 56 28.270 0.711 9.662 1.00 25.00 H new ATOM 858 N ARG A 57 31.992 6.549 8.844 1.00 25.00 N ATOM 859 CA ARG A 57 31.908 8.011 8.746 1.00 25.00 C ATOM 860 C ARG A 57 33.161 8.647 8.146 1.00 25.00 C ATOM 861 O ARG A 57 33.103 9.777 7.668 1.00 25.00 O ATOM 862 CB ARG A 57 31.572 8.643 10.100 1.00 25.00 C ATOM 863 CG ARG A 57 32.634 8.452 11.166 1.00 25.00 C ATOM 864 CD ARG A 57 32.331 9.208 12.438 1.00 25.00 C ATOM 865 NE ARG A 57 32.458 10.664 12.268 1.00 25.00 N ATOM 866 CZ ARG A 57 32.435 11.566 13.241 1.00 25.00 C ATOM 867 NH1 ARG A 57 32.281 11.277 14.506 1.00 25.00 N ATOM 868 NH2 ARG A 57 32.594 12.819 12.940 1.00 25.00 N ATOM 0 H ARG A 57 31.991 6.179 9.794 1.00 25.00 H new ATOM 0 HA ARG A 57 31.092 8.218 8.054 1.00 25.00 H new ATOM 0 HB2 ARG A 57 31.407 9.711 9.957 1.00 25.00 H new ATOM 0 HB3 ARG A 57 30.634 8.221 10.460 1.00 25.00 H new ATOM 0 HG2 ARG A 57 32.727 7.390 11.394 1.00 25.00 H new ATOM 0 HG3 ARG A 57 33.597 8.779 10.775 1.00 25.00 H new ATOM 0 HD2 ARG A 57 31.319 8.970 12.767 1.00 25.00 H new ATOM 0 HD3 ARG A 57 33.008 8.876 13.225 1.00 25.00 H new ATOM 0 HE ARG A 57 32.574 11.011 11.316 1.00 25.00 H new ATOM 0 HH11 ARG A 57 32.169 10.306 14.797 1.00 25.00 H new ATOM 0 HH12 ARG A 57 32.273 12.022 15.202 1.00 25.00 H new ATOM 0 HH21 ARG A 57 32.734 13.096 11.968 1.00 25.00 H new ATOM 0 HH22 ARG A 57 32.579 13.526 13.675 1.00 25.00 H new ATOM 882 N GLN A 58 34.278 7.929 8.137 1.00 25.00 N ATOM 883 CA GLN A 58 35.517 8.415 7.528 1.00 25.00 C ATOM 884 C GLN A 58 35.798 7.766 6.166 1.00 25.00 C ATOM 885 O GLN A 58 36.726 8.166 5.470 1.00 25.00 O ATOM 886 CB GLN A 58 36.703 8.145 8.459 1.00 25.00 C ATOM 887 CG GLN A 58 36.612 8.767 9.854 1.00 25.00 C ATOM 888 CD GLN A 58 36.424 10.267 9.845 1.00 25.00 C ATOM 889 OE1 GLN A 58 37.044 10.987 9.073 1.00 25.00 O ATOM 890 NE2 GLN A 58 35.577 10.754 10.707 1.00 25.00 N ATOM 0 H GLN A 58 34.354 6.999 8.548 1.00 25.00 H new ATOM 0 HA GLN A 58 35.389 9.486 7.371 1.00 25.00 H new ATOM 0 HB2 GLN A 58 36.815 7.066 8.570 1.00 25.00 H new ATOM 0 HB3 GLN A 58 37.609 8.512 7.977 1.00 25.00 H new ATOM 0 HG2 GLN A 58 35.781 8.310 10.391 1.00 25.00 H new ATOM 0 HG3 GLN A 58 37.520 8.528 10.408 1.00 25.00 H new ATOM 0 HE21 GLN A 58 35.075 10.129 11.338 1.00 25.00 H new ATOM 0 HE22 GLN A 58 35.416 11.760 10.751 1.00 25.00 H new ATOM 899 N GLY A 59 35.015 6.766 5.781 1.00 25.00 N ATOM 900 CA GLY A 59 35.228 6.073 4.519 1.00 25.00 C ATOM 901 C GLY A 59 36.397 5.102 4.491 1.00 25.00 C ATOM 902 O GLY A 59 37.009 4.906 3.443 1.00 25.00 O ATOM 0 H GLY A 59 34.226 6.417 6.326 1.00 25.00 H new ATOM 0 HA2 GLY A 59 34.319 5.526 4.268 1.00 25.00 H new ATOM 0 HA3 GLY A 59 35.379 6.818 3.737 1.00 25.00 H new ATOM 906 N VAL A 60 36.735 4.510 5.629 1.00 25.00 N ATOM 907 CA VAL A 60 37.920 3.647 5.758 1.00 25.00 C ATOM 908 C VAL A 60 37.498 2.277 6.307 1.00 25.00 C ATOM 909 O VAL A 60 36.379 2.158 6.817 1.00 25.00 O ATOM 910 CB VAL A 60 38.991 4.333 6.673 1.00 25.00 C ATOM 911 CG1 VAL A 60 39.455 5.661 6.061 1.00 50.00 C ATOM 912 CG2 VAL A 60 38.471 4.571 8.094 1.00 50.00 C ATOM 0 H VAL A 60 36.201 4.609 6.493 1.00 25.00 H new ATOM 0 HA VAL A 60 38.375 3.496 4.779 1.00 25.00 H new ATOM 0 HB VAL A 60 39.837 3.648 6.738 1.00 25.00 H new ATOM 0 HG11 VAL A 60 40.198 6.121 6.712 1.00 50.00 H new ATOM 0 HG12 VAL A 60 39.895 5.476 5.081 1.00 50.00 H new ATOM 0 HG13 VAL A 60 38.601 6.331 5.955 1.00 50.00 H new ATOM 0 HG21 VAL A 60 39.248 5.048 8.691 1.00 50.00 H new ATOM 0 HG22 VAL A 60 37.594 5.217 8.057 1.00 50.00 H new ATOM 0 HG23 VAL A 60 38.200 3.617 8.547 1.00 50.00 H new ATOM 922 N PRO A 61 38.344 1.229 6.198 1.00 25.00 N ATOM 923 CA PRO A 61 37.926 -0.037 6.819 1.00 25.00 C ATOM 924 C PRO A 61 38.061 -0.036 8.352 1.00 25.00 C ATOM 925 O PRO A 61 38.729 0.823 8.933 1.00 25.00 O ATOM 926 CB PRO A 61 38.868 -1.048 6.164 1.00 25.00 C ATOM 927 CG PRO A 61 40.117 -0.294 5.991 1.00 25.00 C ATOM 928 CD PRO A 61 39.651 1.066 5.532 1.00 25.00 C ATOM 0 HA PRO A 61 36.869 -0.251 6.663 1.00 25.00 H new ATOM 0 HB2 PRO A 61 39.014 -1.926 6.793 1.00 25.00 H new ATOM 0 HB3 PRO A 61 38.477 -1.401 5.210 1.00 25.00 H new ATOM 0 HG2 PRO A 61 40.680 -0.232 6.922 1.00 25.00 H new ATOM 0 HG3 PRO A 61 40.770 -0.763 5.255 1.00 25.00 H new ATOM 0 HD2 PRO A 61 40.350 1.849 5.825 1.00 25.00 H new ATOM 0 HD3 PRO A 61 39.557 1.112 4.447 1.00 25.00 H new ATOM 936 N MET A 62 37.412 -0.981 9.021 1.00 25.00 N ATOM 937 CA MET A 62 37.182 -0.901 10.471 1.00 25.00 C ATOM 938 C MET A 62 38.360 -0.873 11.442 1.00 25.00 C ATOM 939 O MET A 62 38.225 -0.326 12.536 1.00 25.00 O ATOM 940 CB MET A 62 36.202 -1.997 10.892 1.00 25.00 C ATOM 941 CG MET A 62 36.777 -3.405 10.895 1.00 25.00 C ATOM 942 SD MET A 62 35.530 -4.637 11.313 1.00 25.00 S ATOM 943 CE MET A 62 35.229 -4.307 13.038 1.00 25.00 C ATOM 0 H MET A 62 37.030 -1.820 8.585 1.00 25.00 H new ATOM 0 HA MET A 62 36.795 0.113 10.572 1.00 25.00 H new ATOM 0 HB2 MET A 62 35.833 -1.769 11.892 1.00 25.00 H new ATOM 0 HB3 MET A 62 35.343 -1.973 10.222 1.00 25.00 H new ATOM 0 HG2 MET A 62 37.194 -3.629 9.913 1.00 25.00 H new ATOM 0 HG3 MET A 62 37.597 -3.461 11.611 1.00 25.00 H new ATOM 0 HE1 MET A 62 35.482 -5.189 13.627 1.00 25.00 H new ATOM 0 HE2 MET A 62 35.844 -3.467 13.360 1.00 25.00 H new ATOM 0 HE3 MET A 62 34.177 -4.063 13.184 1.00 25.00 H new ATOM 953 N ASN A 63 39.517 -1.401 11.074 1.00 25.00 N ATOM 954 CA ASN A 63 40.658 -1.444 11.993 1.00 25.00 C ATOM 955 C ASN A 63 41.632 -0.297 11.728 1.00 25.00 C ATOM 956 O ASN A 63 42.785 -0.328 12.166 1.00 25.00 O ATOM 957 CB ASN A 63 41.358 -2.807 11.912 1.00 25.00 C ATOM 958 CG ASN A 63 40.478 -3.935 12.389 1.00 25.00 C ATOM 959 OD1 ASN A 63 39.791 -3.828 13.399 1.00 25.00 O ATOM 960 ND2 ASN A 63 40.475 -5.020 11.669 1.00 25.00 N ATOM 0 H ASN A 63 39.696 -1.804 10.154 1.00 25.00 H new ATOM 0 HA ASN A 63 40.283 -1.315 13.008 1.00 25.00 H new ATOM 0 HB2 ASN A 63 41.660 -2.996 10.882 1.00 25.00 H new ATOM 0 HB3 ASN A 63 42.268 -2.781 12.512 1.00 25.00 H new ATOM 0 HD21 ASN A 63 39.890 -5.810 11.940 1.00 25.00 H new ATOM 0 HD22 ASN A 63 41.057 -5.079 10.834 1.00 25.00 H new ATOM 967 N SER A 64 41.173 0.729 11.024 1.00 25.00 N ATOM 968 CA SER A 64 41.992 1.916 10.747 1.00 25.00 C ATOM 969 C SER A 64 42.257 2.770 11.988 1.00 25.00 C ATOM 970 O SER A 64 43.167 3.603 11.992 1.00 25.00 O ATOM 971 CB SER A 64 41.328 2.781 9.682 1.00 25.00 C ATOM 972 OG SER A 64 41.115 2.025 8.502 1.00 25.00 O ATOM 0 H SER A 64 40.233 0.769 10.630 1.00 25.00 H new ATOM 0 HA SER A 64 42.954 1.544 10.394 1.00 25.00 H new ATOM 0 HB2 SER A 64 40.378 3.164 10.054 1.00 25.00 H new ATOM 0 HB3 SER A 64 41.955 3.645 9.461 1.00 25.00 H new ATOM 0 HG SER A 64 40.210 1.650 8.513 1.00 25.00 H new ATOM 978 N LEU A 65 41.519 2.519 13.057 1.00 25.00 N ATOM 979 CA LEU A 65 41.840 3.042 14.381 1.00 25.00 C ATOM 980 C LEU A 65 41.876 1.844 15.310 1.00 25.00 C ATOM 981 O LEU A 65 41.201 0.838 15.071 1.00 25.00 O ATOM 982 CB LEU A 65 40.793 4.040 14.888 1.00 25.00 C ATOM 983 CG LEU A 65 40.790 5.461 14.311 1.00 25.00 C ATOM 984 CD1 LEU A 65 39.582 6.209 14.865 1.00 50.00 C ATOM 985 CD2 LEU A 65 42.068 6.227 14.662 1.00 50.00 C ATOM 0 H LEU A 65 40.676 1.945 13.034 1.00 25.00 H new ATOM 0 HA LEU A 65 42.788 3.578 14.342 1.00 25.00 H new ATOM 0 HB2 LEU A 65 39.809 3.608 14.707 1.00 25.00 H new ATOM 0 HB3 LEU A 65 40.911 4.122 15.968 1.00 25.00 H new ATOM 0 HG LEU A 65 40.740 5.389 13.225 1.00 25.00 H new ATOM 0 HD11 LEU A 65 39.566 7.222 14.464 1.00 50.00 H new ATOM 0 HD12 LEU A 65 38.668 5.690 14.576 1.00 50.00 H new ATOM 0 HD13 LEU A 65 39.647 6.251 15.952 1.00 50.00 H new ATOM 0 HD21 LEU A 65 42.022 7.228 14.233 1.00 50.00 H new ATOM 0 HD22 LEU A 65 42.162 6.301 15.745 1.00 50.00 H new ATOM 0 HD23 LEU A 65 42.932 5.699 14.258 1.00 50.00 H new ATOM 997 N ARG A 66 42.657 1.976 16.368 1.00 25.00 N ATOM 998 CA ARG A 66 42.778 0.987 17.436 1.00 25.00 C ATOM 999 C ARG A 66 42.274 1.735 18.655 1.00 25.00 C ATOM 1000 O ARG A 66 42.447 2.946 18.718 1.00 25.00 O ATOM 1001 CB ARG A 66 44.247 0.586 17.574 1.00 25.00 C ATOM 1002 CG ARG A 66 44.532 -0.536 18.559 1.00 25.00 C ATOM 1003 CD ARG A 66 46.026 -0.750 18.585 1.00 25.00 C ATOM 1004 NE ARG A 66 46.449 -1.890 19.407 1.00 25.00 N ATOM 1005 CZ ARG A 66 47.703 -2.275 19.597 1.00 25.00 C ATOM 1006 NH1 ARG A 66 48.736 -1.627 19.130 1.00 25.00 N ATOM 1007 NH2 ARG A 66 47.938 -3.360 20.272 1.00 25.00 N ATOM 0 H ARG A 66 43.244 2.797 16.516 1.00 25.00 H new ATOM 0 HA ARG A 66 42.223 0.064 17.270 1.00 25.00 H new ATOM 0 HB2 ARG A 66 44.617 0.287 16.593 1.00 25.00 H new ATOM 0 HB3 ARG A 66 44.818 1.464 17.876 1.00 25.00 H new ATOM 0 HG2 ARG A 66 44.165 -0.277 19.552 1.00 25.00 H new ATOM 0 HG3 ARG A 66 44.019 -1.450 18.258 1.00 25.00 H new ATOM 0 HD2 ARG A 66 46.380 -0.899 17.565 1.00 25.00 H new ATOM 0 HD3 ARG A 66 46.506 0.154 18.960 1.00 25.00 H new ATOM 0 HE ARG A 66 45.718 -2.430 19.870 1.00 25.00 H new ATOM 0 HH11 ARG A 66 48.600 -0.775 18.586 1.00 25.00 H new ATOM 0 HH12 ARG A 66 49.679 -1.973 19.309 1.00 25.00 H new ATOM 0 HH21 ARG A 66 47.162 -3.905 20.649 1.00 25.00 H new ATOM 0 HH22 ARG A 66 48.898 -3.667 20.425 1.00 25.00 H new ATOM 1021 N PHE A 67 41.615 1.053 19.571 1.00 25.00 N ATOM 1022 CA PHE A 67 40.922 1.691 20.687 1.00 25.00 C ATOM 1023 C PHE A 67 41.464 1.071 21.971 1.00 25.00 C ATOM 1024 O PHE A 67 41.653 -0.149 22.013 1.00 25.00 O ATOM 1025 CB PHE A 67 39.415 1.404 20.568 1.00 25.00 C ATOM 1026 CG PHE A 67 38.748 2.021 19.354 1.00 25.00 C ATOM 1027 CD1 PHE A 67 38.968 1.513 18.055 1.00 25.00 C ATOM 1028 CD2 PHE A 67 37.869 3.107 19.511 1.00 25.00 C ATOM 1029 CE1 PHE A 67 38.386 2.131 16.922 1.00 25.00 C ATOM 1030 CE2 PHE A 67 37.253 3.717 18.383 1.00 25.00 C ATOM 1031 CZ PHE A 67 37.527 3.234 17.087 1.00 25.00 C ATOM 0 H PHE A 67 41.541 0.036 19.567 1.00 25.00 H new ATOM 0 HA PHE A 67 41.079 2.770 20.687 1.00 25.00 H new ATOM 0 HB2 PHE A 67 39.265 0.325 20.539 1.00 25.00 H new ATOM 0 HB3 PHE A 67 38.917 1.771 21.465 1.00 25.00 H new ATOM 0 HD1 PHE A 67 39.590 0.640 17.924 1.00 25.00 H new ATOM 0 HD2 PHE A 67 37.659 3.483 20.501 1.00 25.00 H new ATOM 0 HE1 PHE A 67 38.601 1.757 15.932 1.00 25.00 H new ATOM 0 HE2 PHE A 67 36.577 4.548 18.519 1.00 25.00 H new ATOM 0 HZ PHE A 67 37.080 3.708 16.225 1.00 25.00 H new ATOM 1041 N LEU A 68 41.699 1.871 23.003 1.00 25.00 N ATOM 1042 CA LEU A 68 42.053 1.360 24.333 1.00 25.00 C ATOM 1043 C LEU A 68 41.171 2.073 25.346 1.00 25.00 C ATOM 1044 O LEU A 68 40.764 3.216 25.118 1.00 25.00 O ATOM 1045 CB LEU A 68 43.514 1.638 24.716 1.00 25.00 C ATOM 1046 CG LEU A 68 44.685 1.067 23.902 1.00 25.00 C ATOM 1047 CD1 LEU A 68 45.991 1.510 24.565 1.00 50.00 C ATOM 1048 CD2 LEU A 68 44.694 -0.452 23.799 1.00 50.00 C ATOM 0 H LEU A 68 41.652 2.888 22.949 1.00 25.00 H new ATOM 0 HA LEU A 68 41.912 0.279 24.323 1.00 25.00 H new ATOM 0 HB2 LEU A 68 43.637 2.721 24.728 1.00 25.00 H new ATOM 0 HB3 LEU A 68 43.643 1.291 25.741 1.00 25.00 H new ATOM 0 HG LEU A 68 44.575 1.448 22.887 1.00 25.00 H new ATOM 0 HD11 LEU A 68 46.837 1.115 24.002 1.00 50.00 H new ATOM 0 HD12 LEU A 68 46.041 2.599 24.579 1.00 50.00 H new ATOM 0 HD13 LEU A 68 46.027 1.132 25.587 1.00 50.00 H new ATOM 0 HD21 LEU A 68 45.553 -0.772 23.208 1.00 50.00 H new ATOM 0 HD22 LEU A 68 44.759 -0.884 24.798 1.00 50.00 H new ATOM 0 HD23 LEU A 68 43.776 -0.789 23.317 1.00 50.00 H new ATOM 1060 N PHE A 69 40.919 1.426 26.473 1.00 25.00 N ATOM 1061 CA PHE A 69 40.142 2.015 27.561 1.00 25.00 C ATOM 1062 C PHE A 69 40.941 1.730 28.827 1.00 25.00 C ATOM 1063 O PHE A 69 41.368 0.592 29.028 1.00 25.00 O ATOM 1064 CB PHE A 69 38.747 1.386 27.596 1.00 25.00 C ATOM 1065 CG PHE A 69 37.837 1.955 28.652 1.00 25.00 C ATOM 1066 CD1 PHE A 69 37.044 3.081 28.371 1.00 25.00 C ATOM 1067 CD2 PHE A 69 37.733 1.345 29.915 1.00 25.00 C ATOM 1068 CE1 PHE A 69 36.142 3.595 29.337 1.00 25.00 C ATOM 1069 CE2 PHE A 69 36.825 1.838 30.889 1.00 25.00 C ATOM 1070 CZ PHE A 69 36.026 2.964 30.596 1.00 25.00 C ATOM 0 H PHE A 69 41.245 0.478 26.663 1.00 25.00 H new ATOM 0 HA PHE A 69 39.987 3.088 27.444 1.00 25.00 H new ATOM 0 HB2 PHE A 69 38.278 1.516 26.621 1.00 25.00 H new ATOM 0 HB3 PHE A 69 38.849 0.313 27.760 1.00 25.00 H new ATOM 0 HD1 PHE A 69 37.123 3.561 27.407 1.00 25.00 H new ATOM 0 HD2 PHE A 69 38.352 0.491 30.147 1.00 25.00 H new ATOM 0 HE1 PHE A 69 35.545 4.466 29.111 1.00 25.00 H new ATOM 0 HE2 PHE A 69 36.746 1.353 31.851 1.00 25.00 H new ATOM 0 HZ PHE A 69 35.330 3.341 31.330 1.00 25.00 H new ATOM 1080 N GLU A 70 41.216 2.764 29.616 1.00 25.00 N ATOM 1081 CA GLU A 70 42.066 2.698 30.818 1.00 25.00 C ATOM 1082 C GLU A 70 43.477 2.164 30.526 1.00 25.00 C ATOM 1083 O GLU A 70 44.143 1.571 31.379 1.00 25.00 O ATOM 1084 CB GLU A 70 41.374 1.922 31.955 1.00 25.00 C ATOM 1085 CG GLU A 70 40.113 2.618 32.449 1.00 25.00 C ATOM 1086 CD GLU A 70 39.413 1.892 33.586 1.00 25.00 C ATOM 1087 OE1 GLU A 70 39.382 0.644 33.620 1.00 25.00 O ATOM 1088 OE2 GLU A 70 38.834 2.570 34.463 1.00 25.00 O ATOM 0 H GLU A 70 40.848 3.699 29.439 1.00 25.00 H new ATOM 0 HA GLU A 70 42.203 3.724 31.159 1.00 25.00 H new ATOM 0 HB2 GLU A 70 41.120 0.921 31.606 1.00 25.00 H new ATOM 0 HB3 GLU A 70 42.069 1.803 32.786 1.00 25.00 H new ATOM 0 HG2 GLU A 70 40.371 3.625 32.778 1.00 25.00 H new ATOM 0 HG3 GLU A 70 39.418 2.723 31.616 1.00 25.00 H new ATOM 1095 N GLY A 71 43.940 2.367 29.297 1.00 25.00 N ATOM 1096 CA GLY A 71 45.252 1.898 28.875 1.00 25.00 C ATOM 1097 C GLY A 71 45.328 0.403 28.636 1.00 25.00 C ATOM 1098 O GLY A 71 46.412 -0.142 28.403 1.00 25.00 O ATOM 0 H GLY A 71 43.419 2.858 28.571 1.00 25.00 H new ATOM 0 HA2 GLY A 71 45.534 2.416 27.958 1.00 25.00 H new ATOM 0 HA3 GLY A 71 45.985 2.171 29.634 1.00 25.00 H new ATOM 1102 N GLN A 72 44.191 -0.273 28.716 1.00 25.00 N ATOM 1103 CA GLN A 72 44.120 -1.719 28.546 1.00 25.00 C ATOM 1104 C GLN A 72 43.534 -2.031 27.181 1.00 25.00 C ATOM 1105 O GLN A 72 42.704 -1.281 26.654 1.00 25.00 O ATOM 1106 CB GLN A 72 43.237 -2.349 29.627 1.00 25.00 C ATOM 1107 CG GLN A 72 43.760 -2.170 31.045 1.00 25.00 C ATOM 1108 CD GLN A 72 42.894 -2.869 32.069 1.00 25.00 C ATOM 1109 OE1 GLN A 72 41.714 -2.578 32.212 1.00 25.00 O ATOM 1110 NE2 GLN A 72 43.459 -3.805 32.780 1.00 25.00 N ATOM 0 H GLN A 72 43.289 0.166 28.901 1.00 25.00 H new ATOM 0 HA GLN A 72 45.125 -2.132 28.630 1.00 25.00 H new ATOM 0 HB2 GLN A 72 42.239 -1.915 29.563 1.00 25.00 H new ATOM 0 HB3 GLN A 72 43.135 -3.415 29.421 1.00 25.00 H new ATOM 0 HG2 GLN A 72 44.777 -2.558 31.107 1.00 25.00 H new ATOM 0 HG3 GLN A 72 43.810 -1.107 31.280 1.00 25.00 H new ATOM 0 HE21 GLN A 72 44.445 -4.027 32.640 1.00 25.00 H new ATOM 0 HE22 GLN A 72 42.915 -4.315 33.476 1.00 25.00 H new ATOM 1119 N ARG A 73 43.960 -3.157 26.625 1.00 25.00 N ATOM 1120 CA ARG A 73 43.401 -3.650 25.368 1.00 25.00 C ATOM 1121 C ARG A 73 41.968 -4.084 25.634 1.00 25.00 C ATOM 1122 O ARG A 73 41.645 -4.525 26.743 1.00 25.00 O ATOM 1123 CB ARG A 73 44.227 -4.822 24.831 1.00 25.00 C ATOM 1124 CG ARG A 73 45.648 -4.445 24.428 1.00 25.00 C ATOM 1125 CD ARG A 73 46.381 -5.660 23.887 1.00 25.00 C ATOM 1126 NE ARG A 73 47.745 -5.330 23.454 1.00 25.00 N ATOM 1127 CZ ARG A 73 48.629 -6.172 22.937 1.00 25.00 C ATOM 1128 NH1 ARG A 73 48.433 -7.462 22.835 1.00 25.00 N ATOM 1129 NH2 ARG A 73 49.759 -5.680 22.521 1.00 25.00 N ATOM 0 H ARG A 73 44.690 -3.748 27.022 1.00 25.00 H new ATOM 0 HA ARG A 73 43.423 -2.864 24.614 1.00 25.00 H new ATOM 0 HB2 ARG A 73 44.271 -5.601 25.592 1.00 25.00 H new ATOM 0 HB3 ARG A 73 43.716 -5.248 23.967 1.00 25.00 H new ATOM 0 HG2 ARG A 73 45.623 -3.660 23.672 1.00 25.00 H new ATOM 0 HG3 ARG A 73 46.183 -4.042 25.288 1.00 25.00 H new ATOM 0 HD2 ARG A 73 46.421 -6.432 24.656 1.00 25.00 H new ATOM 0 HD3 ARG A 73 45.824 -6.075 23.047 1.00 25.00 H new ATOM 0 HE ARG A 73 48.041 -4.360 23.561 1.00 25.00 H new ATOM 0 HH11 ARG A 73 47.559 -7.873 23.164 1.00 25.00 H new ATOM 0 HH12 ARG A 73 49.154 -8.057 22.427 1.00 25.00 H new ATOM 0 HH21 ARG A 73 49.939 -4.679 22.599 1.00 25.00 H new ATOM 0 HH22 ARG A 73 50.465 -6.295 22.117 1.00 25.00 H new ATOM 1143 N ILE A 74 41.121 -3.946 24.627 1.00 25.00 N ATOM 1144 CA ILE A 74 39.697 -4.273 24.725 1.00 25.00 C ATOM 1145 C ILE A 74 39.330 -5.223 23.587 1.00 25.00 C ATOM 1146 O ILE A 74 40.146 -5.454 22.686 1.00 25.00 O ATOM 1147 CB ILE A 74 38.826 -2.981 24.729 1.00 25.00 C ATOM 1148 CG1 ILE A 74 39.011 -2.167 23.436 1.00 25.00 C ATOM 1149 CG2 ILE A 74 39.179 -2.125 25.960 1.00 25.00 C ATOM 1150 CD1 ILE A 74 38.114 -0.938 23.327 1.00 25.00 C ATOM 0 H ILE A 74 41.399 -3.601 23.708 1.00 25.00 H new ATOM 0 HA ILE A 74 39.495 -4.776 25.671 1.00 25.00 H new ATOM 0 HB ILE A 74 37.778 -3.276 24.779 1.00 25.00 H new ATOM 0 HG12 ILE A 74 40.051 -1.849 23.368 1.00 25.00 H new ATOM 0 HG13 ILE A 74 38.820 -2.817 22.582 1.00 25.00 H new ATOM 0 HG21 ILE A 74 38.569 -1.222 25.962 1.00 25.00 H new ATOM 0 HG22 ILE A 74 38.985 -2.696 26.868 1.00 25.00 H new ATOM 0 HG23 ILE A 74 40.233 -1.851 25.922 1.00 25.00 H new ATOM 0 HD11 ILE A 74 38.312 -0.426 22.386 1.00 25.00 H new ATOM 0 HD12 ILE A 74 37.069 -1.246 23.360 1.00 25.00 H new ATOM 0 HD13 ILE A 74 38.319 -0.263 24.158 1.00 25.00 H new ATOM 1162 N ALA A 75 38.134 -5.791 23.641 1.00 25.00 N ATOM 1163 CA ALA A 75 37.698 -6.837 22.718 1.00 25.00 C ATOM 1164 C ALA A 75 36.263 -6.567 22.253 1.00 25.00 C ATOM 1165 O ALA A 75 35.602 -5.669 22.774 1.00 25.00 O ATOM 1166 CB ALA A 75 37.806 -8.196 23.420 1.00 25.00 C ATOM 0 H ALA A 75 37.429 -5.538 24.333 1.00 25.00 H new ATOM 0 HA ALA A 75 38.336 -6.843 21.834 1.00 25.00 H new ATOM 0 HB1 ALA A 75 37.483 -8.984 22.739 1.00 25.00 H new ATOM 0 HB2 ALA A 75 38.841 -8.372 23.714 1.00 25.00 H new ATOM 0 HB3 ALA A 75 37.171 -8.199 24.306 1.00 25.00 H new ATOM 1172 N ASP A 76 35.798 -7.355 21.294 1.00 25.00 N ATOM 1173 CA ASP A 76 34.574 -7.106 20.520 1.00 25.00 C ATOM 1174 C ASP A 76 33.269 -6.754 21.235 1.00 25.00 C ATOM 1175 O ASP A 76 32.462 -6.013 20.665 1.00 25.00 O ATOM 1176 CB ASP A 76 34.280 -8.314 19.619 1.00 25.00 C ATOM 1177 CG ASP A 76 33.725 -9.507 20.388 1.00 25.00 C ATOM 1178 OD1 ASP A 76 34.421 -10.054 21.268 1.00 25.00 O ATOM 1179 OD2 ASP A 76 32.573 -9.923 20.115 1.00 25.00 O ATOM 0 H ASP A 76 36.272 -8.215 21.019 1.00 25.00 H new ATOM 0 HA ASP A 76 34.843 -6.185 20.003 1.00 25.00 H new ATOM 0 HB2 ASP A 76 33.567 -8.021 18.849 1.00 25.00 H new ATOM 0 HB3 ASP A 76 35.196 -8.612 19.109 1.00 25.00 H new ATOM 1184 N ASN A 77 33.037 -7.235 22.450 1.00 25.00 N ATOM 1185 CA ASN A 77 31.781 -6.945 23.147 1.00 25.00 C ATOM 1186 C ASN A 77 31.839 -5.722 24.071 1.00 25.00 C ATOM 1187 O ASN A 77 30.815 -5.277 24.590 1.00 25.00 O ATOM 1188 CB ASN A 77 31.341 -8.151 23.976 1.00 25.00 C ATOM 1189 CG ASN A 77 29.880 -8.088 24.345 1.00 25.00 C ATOM 1190 OD1 ASN A 77 29.013 -8.052 23.477 1.00 25.00 O ATOM 1191 ND2 ASN A 77 29.590 -8.062 25.614 1.00 25.00 N ATOM 0 H ASN A 77 33.690 -7.820 22.971 1.00 25.00 H new ATOM 0 HA ASN A 77 31.064 -6.721 22.357 1.00 25.00 H new ATOM 0 HB2 ASN A 77 31.533 -9.065 23.414 1.00 25.00 H new ATOM 0 HB3 ASN A 77 31.941 -8.203 24.884 1.00 25.00 H new ATOM 0 HD21 ASN A 77 28.616 -8.010 25.914 1.00 25.00 H new ATOM 0 HD22 ASN A 77 30.336 -8.093 26.308 1.00 25.00 H new ATOM 1198 N HIS A 78 33.030 -5.192 24.309 1.00 25.00 N ATOM 1199 CA HIS A 78 33.219 -4.166 25.346 1.00 25.00 C ATOM 1200 C HIS A 78 32.500 -2.856 25.019 1.00 25.00 C ATOM 1201 O HIS A 78 32.489 -2.436 23.859 1.00 25.00 O ATOM 1202 CB HIS A 78 34.716 -3.862 25.517 1.00 25.00 C ATOM 1203 CG HIS A 78 35.495 -4.969 26.165 1.00 25.00 C ATOM 1204 ND1 HIS A 78 36.335 -4.766 27.255 1.00 25.00 N ATOM 1205 CD2 HIS A 78 35.583 -6.300 25.908 1.00 25.00 C ATOM 1206 CE1 HIS A 78 36.887 -5.918 27.604 1.00 25.00 C ATOM 1207 NE2 HIS A 78 36.451 -6.860 26.803 1.00 25.00 N ATOM 0 H HIS A 78 33.880 -5.448 23.806 1.00 25.00 H new ATOM 0 HA HIS A 78 32.792 -4.571 26.264 1.00 25.00 H new ATOM 0 HB2 HIS A 78 35.148 -3.653 24.538 1.00 25.00 H new ATOM 0 HB3 HIS A 78 34.826 -2.957 26.114 1.00 25.00 H new ATOM 0 HD2 HIS A 78 35.055 -6.827 25.127 1.00 25.00 H new ATOM 0 HE1 HIS A 78 37.584 -6.059 28.417 1.00 25.00 H new ATOM 0 HE2 HIS A 78 36.715 -7.844 26.841 1.00 25.00 H new ATOM 1216 N THR A 79 31.947 -2.206 26.038 1.00 25.00 N ATOM 1217 CA THR A 79 31.555 -0.789 25.990 1.00 25.00 C ATOM 1218 C THR A 79 31.925 -0.236 27.362 1.00 25.00 C ATOM 1219 O THR A 79 32.066 -1.040 28.298 1.00 25.00 O ATOM 1220 CB THR A 79 30.033 -0.546 25.811 1.00 25.00 C ATOM 1221 OG1 THR A 79 29.324 -0.951 26.982 1.00 25.00 O ATOM 1222 CG2 THR A 79 29.469 -1.292 24.646 1.00 25.00 C ATOM 0 H THR A 79 31.753 -2.649 26.936 1.00 25.00 H new ATOM 0 HA THR A 79 32.048 -0.325 25.136 1.00 25.00 H new ATOM 0 HB THR A 79 29.912 0.523 25.634 1.00 25.00 H new ATOM 0 HG1 THR A 79 28.365 -0.791 26.856 1.00 25.00 H new ATOM 0 HG21 THR A 79 28.401 -1.087 24.565 1.00 25.00 H new ATOM 0 HG22 THR A 79 29.970 -0.972 23.732 1.00 25.00 H new ATOM 0 HG23 THR A 79 29.624 -2.361 24.789 1.00 25.00 H new ATOM 1230 N PRO A 80 32.033 1.097 27.546 1.00 25.00 N ATOM 1231 CA PRO A 80 32.297 1.538 28.924 1.00 25.00 C ATOM 1232 C PRO A 80 31.197 1.170 29.920 1.00 25.00 C ATOM 1233 O PRO A 80 31.474 0.909 31.092 1.00 25.00 O ATOM 1234 CB PRO A 80 32.383 3.064 28.789 1.00 25.00 C ATOM 1235 CG PRO A 80 32.754 3.287 27.371 1.00 25.00 C ATOM 1236 CD PRO A 80 31.958 2.256 26.634 1.00 25.00 C ATOM 0 HA PRO A 80 33.191 1.056 29.320 1.00 25.00 H new ATOM 0 HB2 PRO A 80 31.432 3.539 29.031 1.00 25.00 H new ATOM 0 HB3 PRO A 80 33.129 3.482 29.466 1.00 25.00 H new ATOM 0 HG2 PRO A 80 32.503 4.296 27.045 1.00 25.00 H new ATOM 0 HG3 PRO A 80 33.824 3.157 27.211 1.00 25.00 H new ATOM 0 HD2 PRO A 80 30.930 2.577 26.467 1.00 25.00 H new ATOM 0 HD3 PRO A 80 32.385 2.034 25.656 1.00 25.00 H new ATOM 1244 N LYS A 81 29.952 1.107 29.456 1.00 25.00 N ATOM 1245 CA LYS A 81 28.813 0.766 30.313 1.00 25.00 C ATOM 1246 C LYS A 81 28.886 -0.656 30.862 1.00 25.00 C ATOM 1247 O LYS A 81 28.393 -0.925 31.955 1.00 25.00 O ATOM 1248 CB LYS A 81 27.507 0.968 29.529 1.00 25.00 C ATOM 1249 CG LYS A 81 26.210 0.948 30.349 1.00 25.00 C ATOM 1250 CD LYS A 81 26.120 2.116 31.329 1.00 25.00 C ATOM 1251 CE LYS A 81 24.801 2.113 32.086 1.00 25.00 C ATOM 1252 NZ LYS A 81 24.749 3.276 33.031 1.00 25.00 N ATOM 0 H LYS A 81 29.702 1.289 28.484 1.00 25.00 H new ATOM 0 HA LYS A 81 28.842 1.432 31.175 1.00 25.00 H new ATOM 0 HB2 LYS A 81 27.566 1.923 29.006 1.00 25.00 H new ATOM 0 HB3 LYS A 81 27.442 0.191 28.767 1.00 25.00 H new ATOM 0 HG2 LYS A 81 25.356 0.979 29.673 1.00 25.00 H new ATOM 0 HG3 LYS A 81 26.147 0.010 30.900 1.00 25.00 H new ATOM 0 HD2 LYS A 81 26.947 2.061 32.037 1.00 25.00 H new ATOM 0 HD3 LYS A 81 26.226 3.055 30.787 1.00 25.00 H new ATOM 0 HE2 LYS A 81 23.969 2.167 31.384 1.00 25.00 H new ATOM 0 HE3 LYS A 81 24.692 1.180 32.639 1.00 25.00 H new ATOM 0 HZ1 LYS A 81 23.844 3.266 33.544 1.00 25.00 H new ATOM 0 HZ2 LYS A 81 25.533 3.207 33.711 1.00 25.00 H new ATOM 0 HZ3 LYS A 81 24.833 4.163 32.495 1.00 25.00 H new ATOM 1266 N GLU A 82 29.572 -1.553 30.169 1.00 25.00 N ATOM 1267 CA GLU A 82 29.754 -2.917 30.676 1.00 25.00 C ATOM 1268 C GLU A 82 30.577 -2.947 31.966 1.00 25.00 C ATOM 1269 O GLU A 82 30.454 -3.886 32.751 1.00 25.00 O ATOM 1270 CB GLU A 82 30.439 -3.819 29.641 1.00 25.00 C ATOM 1271 CG GLU A 82 29.613 -4.137 28.396 1.00 25.00 C ATOM 1272 CD GLU A 82 28.288 -4.807 28.726 1.00 25.00 C ATOM 1273 OE1 GLU A 82 28.269 -5.765 29.534 1.00 25.00 O ATOM 1274 OE2 GLU A 82 27.230 -4.367 28.214 1.00 25.00 O ATOM 0 H GLU A 82 30.009 -1.371 29.265 1.00 25.00 H new ATOM 0 HA GLU A 82 28.752 -3.293 30.883 1.00 25.00 H new ATOM 0 HB2 GLU A 82 31.368 -3.342 29.327 1.00 25.00 H new ATOM 0 HB3 GLU A 82 30.710 -4.757 30.125 1.00 25.00 H new ATOM 0 HG2 GLU A 82 29.422 -3.215 27.846 1.00 25.00 H new ATOM 0 HG3 GLU A 82 30.190 -4.787 27.738 1.00 25.00 H new ATOM 1281 N LEU A 83 31.372 -1.911 32.213 1.00 25.00 N ATOM 1282 CA LEU A 83 32.169 -1.793 33.439 1.00 25.00 C ATOM 1283 C LEU A 83 31.565 -0.773 34.408 1.00 25.00 C ATOM 1284 O LEU A 83 32.131 -0.487 35.464 1.00 25.00 O ATOM 1285 CB LEU A 83 33.610 -1.406 33.087 1.00 25.00 C ATOM 1286 CG LEU A 83 34.401 -2.397 32.218 1.00 25.00 C ATOM 1287 CD1 LEU A 83 35.728 -1.773 31.807 1.00 50.00 C ATOM 1288 CD2 LEU A 83 34.663 -3.727 32.926 1.00 50.00 C ATOM 0 H LEU A 83 31.485 -1.126 31.571 1.00 25.00 H new ATOM 0 HA LEU A 83 32.166 -2.762 33.939 1.00 25.00 H new ATOM 0 HB2 LEU A 83 33.588 -0.445 32.572 1.00 25.00 H new ATOM 0 HB3 LEU A 83 34.159 -1.257 34.017 1.00 25.00 H new ATOM 0 HG LEU A 83 33.790 -2.611 31.341 1.00 25.00 H new ATOM 0 HD11 LEU A 83 36.286 -2.478 31.191 1.00 50.00 H new ATOM 0 HD12 LEU A 83 35.541 -0.863 31.238 1.00 50.00 H new ATOM 0 HD13 LEU A 83 36.308 -1.531 32.698 1.00 50.00 H new ATOM 0 HD21 LEU A 83 35.225 -4.387 32.265 1.00 50.00 H new ATOM 0 HD22 LEU A 83 35.238 -3.548 33.835 1.00 50.00 H new ATOM 0 HD23 LEU A 83 33.713 -4.195 33.184 1.00 50.00 H new ATOM 1300 N GLY A 84 30.399 -0.244 34.064 1.00 25.00 N ATOM 1301 CA GLY A 84 29.692 0.708 34.910 1.00 25.00 C ATOM 1302 C GLY A 84 30.146 2.150 34.772 1.00 25.00 C ATOM 1303 O GLY A 84 31.266 2.426 34.342 1.00 25.00 O ATOM 0 H GLY A 84 29.917 -0.462 33.192 1.00 25.00 H new ATOM 0 HA2 GLY A 84 28.628 0.654 34.681 1.00 25.00 H new ATOM 0 HA3 GLY A 84 29.809 0.404 35.950 1.00 25.00 H new ATOM 1307 N MET A 85 29.270 3.079 35.128 1.00 25.00 N ATOM 1308 CA MET A 85 29.528 4.518 35.019 1.00 25.00 C ATOM 1309 C MET A 85 29.111 5.231 36.302 1.00 25.00 C ATOM 1310 O MET A 85 28.206 4.772 37.002 1.00 25.00 O ATOM 1311 CB MET A 85 28.715 5.109 33.859 1.00 25.00 C ATOM 1312 CG MET A 85 29.040 4.541 32.478 1.00 25.00 C ATOM 1313 SD MET A 85 30.730 4.857 31.921 1.00 25.00 S ATOM 1314 CE MET A 85 30.688 6.629 31.610 1.00 25.00 C ATOM 0 H MET A 85 28.349 2.858 35.505 1.00 25.00 H new ATOM 0 HA MET A 85 30.595 4.659 34.845 1.00 25.00 H new ATOM 0 HB2 MET A 85 27.656 4.948 34.060 1.00 25.00 H new ATOM 0 HB3 MET A 85 28.875 6.187 33.837 1.00 25.00 H new ATOM 0 HG2 MET A 85 28.870 3.464 32.492 1.00 25.00 H new ATOM 0 HG3 MET A 85 28.346 4.964 31.752 1.00 25.00 H new ATOM 0 HE1 MET A 85 31.519 6.904 30.960 1.00 25.00 H new ATOM 0 HE2 MET A 85 29.747 6.891 31.127 1.00 25.00 H new ATOM 0 HE3 MET A 85 30.773 7.166 32.555 1.00 25.00 H new ATOM 1324 N GLU A 86 29.736 6.363 36.590 1.00 25.00 N ATOM 1325 CA GLU A 86 29.320 7.243 37.687 1.00 25.00 C ATOM 1326 C GLU A 86 28.930 8.614 37.135 1.00 25.00 C ATOM 1327 O GLU A 86 27.887 9.153 37.511 1.00 25.00 O ATOM 1328 CB GLU A 86 30.418 7.368 38.749 1.00 25.00 C ATOM 1329 CG GLU A 86 30.671 6.061 39.486 1.00 25.00 C ATOM 1330 CD GLU A 86 31.644 6.205 40.646 1.00 25.00 C ATOM 1331 OE1 GLU A 86 32.871 6.284 40.414 1.00 25.00 O ATOM 1332 OE2 GLU A 86 31.199 6.201 41.819 1.00 25.00 O ATOM 0 H GLU A 86 30.547 6.703 36.073 1.00 25.00 H new ATOM 0 HA GLU A 86 28.450 6.801 38.173 1.00 25.00 H new ATOM 0 HB2 GLU A 86 31.342 7.698 38.274 1.00 25.00 H new ATOM 0 HB3 GLU A 86 30.137 8.138 39.468 1.00 25.00 H new ATOM 0 HG2 GLU A 86 29.724 5.674 39.861 1.00 25.00 H new ATOM 0 HG3 GLU A 86 31.060 5.325 38.783 1.00 25.00 H new ATOM 1339 N GLU A 87 29.683 9.135 36.174 1.00 25.00 N ATOM 1340 CA GLU A 87 29.273 10.349 35.455 1.00 25.00 C ATOM 1341 C GLU A 87 29.769 10.352 34.013 1.00 25.00 C ATOM 1342 O GLU A 87 28.965 10.492 33.092 1.00 25.00 O ATOM 1343 CB GLU A 87 29.767 11.625 36.156 1.00 25.00 C ATOM 1344 CG GLU A 87 29.183 12.904 35.558 1.00 25.00 C ATOM 1345 CD GLU A 87 29.803 14.169 36.128 1.00 25.00 C ATOM 1346 OE1 GLU A 87 30.064 14.265 37.346 1.00 25.00 O ATOM 1347 OE2 GLU A 87 30.019 15.122 35.345 1.00 25.00 O ATOM 0 H GLU A 87 30.575 8.744 35.871 1.00 25.00 H new ATOM 0 HA GLU A 87 28.183 10.342 35.455 1.00 25.00 H new ATOM 0 HB2 GLU A 87 29.508 11.575 37.214 1.00 25.00 H new ATOM 0 HB3 GLU A 87 30.855 11.667 36.096 1.00 25.00 H new ATOM 0 HG2 GLU A 87 29.328 12.891 34.478 1.00 25.00 H new ATOM 0 HG3 GLU A 87 28.108 12.922 35.735 1.00 25.00 H new ATOM 1354 N GLU A 88 31.070 10.182 33.818 1.00 25.00 N ATOM 1355 CA GLU A 88 31.689 10.182 32.492 1.00 25.00 C ATOM 1356 C GLU A 88 32.961 9.337 32.583 1.00 25.00 C ATOM 1357 O GLU A 88 33.391 9.010 33.691 1.00 25.00 O ATOM 1358 CB GLU A 88 32.038 11.613 32.055 1.00 25.00 C ATOM 1359 CG GLU A 88 32.982 12.345 32.995 1.00 25.00 C ATOM 1360 CD GLU A 88 33.408 13.694 32.454 1.00 25.00 C ATOM 1361 OE1 GLU A 88 32.648 14.686 32.548 1.00 25.00 O ATOM 1362 OE2 GLU A 88 34.559 13.799 31.983 1.00 25.00 O ATOM 0 H GLU A 88 31.734 10.039 34.579 1.00 25.00 H new ATOM 0 HA GLU A 88 31.000 9.771 31.754 1.00 25.00 H new ATOM 0 HB2 GLU A 88 32.488 11.577 31.063 1.00 25.00 H new ATOM 0 HB3 GLU A 88 31.116 12.188 31.966 1.00 25.00 H new ATOM 0 HG2 GLU A 88 32.495 12.482 33.960 1.00 25.00 H new ATOM 0 HG3 GLU A 88 33.866 11.731 33.168 1.00 25.00 H new ATOM 1369 N ASP A 89 33.571 8.983 31.462 1.00 25.00 N ATOM 1370 CA ASP A 89 34.841 8.247 31.466 1.00 25.00 C ATOM 1371 C ASP A 89 35.630 8.666 30.225 1.00 25.00 C ATOM 1372 O ASP A 89 35.207 9.606 29.546 1.00 25.00 O ATOM 1373 CB ASP A 89 34.600 6.733 31.506 1.00 25.00 C ATOM 1374 CG ASP A 89 35.654 5.998 32.317 1.00 25.00 C ATOM 1375 OD1 ASP A 89 36.870 6.223 32.129 1.00 25.00 O ATOM 1376 OD2 ASP A 89 35.282 5.201 33.195 1.00 25.00 O ATOM 0 H ASP A 89 33.211 9.191 30.531 1.00 25.00 H new ATOM 0 HA ASP A 89 35.416 8.487 32.360 1.00 25.00 H new ATOM 0 HB2 ASP A 89 33.616 6.536 31.931 1.00 25.00 H new ATOM 0 HB3 ASP A 89 34.591 6.343 30.488 1.00 25.00 H new ATOM 1381 N VAL A 90 36.745 8.010 29.930 1.00 25.00 N ATOM 1382 CA VAL A 90 37.616 8.344 28.797 1.00 25.00 C ATOM 1383 C VAL A 90 37.884 7.096 27.953 1.00 25.00 C ATOM 1384 O VAL A 90 38.178 6.043 28.514 1.00 25.00 O ATOM 1385 CB VAL A 90 39.000 8.876 29.309 1.00 25.00 C ATOM 1386 CG1 VAL A 90 39.879 9.391 28.155 1.00 50.00 C ATOM 1387 CG2 VAL A 90 38.819 9.990 30.344 1.00 50.00 C ATOM 0 H VAL A 90 37.080 7.217 30.477 1.00 25.00 H new ATOM 0 HA VAL A 90 37.113 9.108 28.204 1.00 25.00 H new ATOM 0 HB VAL A 90 39.503 8.030 29.777 1.00 25.00 H new ATOM 0 HG11 VAL A 90 40.828 9.750 28.553 1.00 50.00 H new ATOM 0 HG12 VAL A 90 40.065 8.581 27.450 1.00 50.00 H new ATOM 0 HG13 VAL A 90 39.368 10.207 27.644 1.00 50.00 H new ATOM 0 HG21 VAL A 90 39.796 10.337 30.679 1.00 50.00 H new ATOM 0 HG22 VAL A 90 38.274 10.820 29.894 1.00 50.00 H new ATOM 0 HG23 VAL A 90 38.258 9.607 31.196 1.00 50.00 H new ATOM 1397 N ILE A 91 37.877 7.212 26.634 1.00 25.00 N ATOM 1398 CA ILE A 91 38.377 6.168 25.737 1.00 25.00 C ATOM 1399 C ILE A 91 39.422 6.887 24.881 1.00 25.00 C ATOM 1400 O ILE A 91 39.341 8.107 24.692 1.00 25.00 O ATOM 1401 CB ILE A 91 37.228 5.497 24.913 1.00 25.00 C ATOM 1402 CG1 ILE A 91 37.731 4.200 24.251 1.00 25.00 C ATOM 1403 CG2 ILE A 91 36.625 6.474 23.883 1.00 25.00 C ATOM 1404 CD1 ILE A 91 36.662 3.322 23.604 1.00 25.00 C ATOM 0 H ILE A 91 37.523 8.036 26.148 1.00 25.00 H new ATOM 0 HA ILE A 91 38.817 5.323 26.267 1.00 25.00 H new ATOM 0 HB ILE A 91 36.423 5.232 25.599 1.00 25.00 H new ATOM 0 HG12 ILE A 91 38.465 4.465 23.490 1.00 25.00 H new ATOM 0 HG13 ILE A 91 38.252 3.609 25.004 1.00 25.00 H new ATOM 0 HG21 ILE A 91 35.830 5.974 23.329 1.00 25.00 H new ATOM 0 HG22 ILE A 91 36.216 7.342 24.401 1.00 25.00 H new ATOM 0 HG23 ILE A 91 37.402 6.798 23.190 1.00 25.00 H new ATOM 0 HD11 ILE A 91 37.130 2.438 23.171 1.00 25.00 H new ATOM 0 HD12 ILE A 91 35.937 3.016 24.358 1.00 25.00 H new ATOM 0 HD13 ILE A 91 36.154 3.885 22.821 1.00 25.00 H new ATOM 1416 N GLU A 92 40.433 6.176 24.408 1.00 25.00 N ATOM 1417 CA GLU A 92 41.506 6.785 23.627 1.00 25.00 C ATOM 1418 C GLU A 92 41.652 5.997 22.336 1.00 25.00 C ATOM 1419 O GLU A 92 41.556 4.765 22.352 1.00 25.00 O ATOM 1420 CB GLU A 92 42.814 6.746 24.422 1.00 25.00 C ATOM 1421 CG GLU A 92 42.786 7.552 25.710 1.00 25.00 C ATOM 1422 CD GLU A 92 44.118 7.524 26.433 1.00 25.00 C ATOM 1423 OE1 GLU A 92 45.007 8.358 26.149 1.00 25.00 O ATOM 1424 OE2 GLU A 92 44.296 6.681 27.343 1.00 25.00 O ATOM 0 H GLU A 92 40.536 5.171 24.551 1.00 25.00 H new ATOM 0 HA GLU A 92 41.272 7.826 23.405 1.00 25.00 H new ATOM 0 HB2 GLU A 92 43.050 5.709 24.661 1.00 25.00 H new ATOM 0 HB3 GLU A 92 43.621 7.119 23.791 1.00 25.00 H new ATOM 0 HG2 GLU A 92 42.519 8.584 25.485 1.00 25.00 H new ATOM 0 HG3 GLU A 92 42.010 7.158 26.366 1.00 25.00 H new ATOM 1431 N VAL A 93 41.871 6.691 21.226 1.00 25.00 N ATOM 1432 CA VAL A 93 42.065 6.025 19.938 1.00 25.00 C ATOM 1433 C VAL A 93 43.478 6.280 19.434 1.00 25.00 C ATOM 1434 O VAL A 93 44.116 7.288 19.767 1.00 25.00 O ATOM 1435 CB VAL A 93 40.994 6.416 18.877 1.00 25.00 C ATOM 1436 CG1 VAL A 93 39.593 6.143 19.421 1.00 50.00 C ATOM 1437 CG2 VAL A 93 41.087 7.877 18.451 1.00 50.00 C ATOM 0 H VAL A 93 41.919 7.709 21.188 1.00 25.00 H new ATOM 0 HA VAL A 93 41.932 4.955 20.100 1.00 25.00 H new ATOM 0 HB VAL A 93 41.190 5.803 17.997 1.00 25.00 H new ATOM 0 HG11 VAL A 93 38.851 6.420 18.672 1.00 50.00 H new ATOM 0 HG12 VAL A 93 39.494 5.083 19.656 1.00 50.00 H new ATOM 0 HG13 VAL A 93 39.433 6.731 20.325 1.00 50.00 H new ATOM 0 HG21 VAL A 93 40.316 8.090 17.711 1.00 50.00 H new ATOM 0 HG22 VAL A 93 40.943 8.519 19.320 1.00 50.00 H new ATOM 0 HG23 VAL A 93 42.069 8.068 18.017 1.00 50.00 H new ATOM 1447 N TYR A 94 43.988 5.328 18.675 1.00 25.00 N ATOM 1448 CA TYR A 94 45.371 5.318 18.226 1.00 25.00 C ATOM 1449 C TYR A 94 45.361 4.914 16.764 1.00 25.00 C ATOM 1450 O TYR A 94 44.440 4.228 16.325 1.00 25.00 O ATOM 1451 CB TYR A 94 46.176 4.302 19.049 1.00 25.00 C ATOM 1452 CG TYR A 94 46.179 4.595 20.538 1.00 25.00 C ATOM 1453 CD1 TYR A 94 45.115 4.173 21.365 1.00 25.00 C ATOM 1454 CD2 TYR A 94 47.234 5.321 21.129 1.00 25.00 C ATOM 1455 CE1 TYR A 94 45.075 4.524 22.734 1.00 25.00 C ATOM 1456 CE2 TYR A 94 47.209 5.648 22.517 1.00 25.00 C ATOM 1457 CZ TYR A 94 46.121 5.256 23.300 1.00 25.00 C ATOM 1458 OH TYR A 94 46.064 5.569 24.635 1.00 25.00 O ATOM 0 H TYR A 94 43.447 4.528 18.348 1.00 25.00 H new ATOM 0 HA TYR A 94 45.832 6.298 18.353 1.00 25.00 H new ATOM 0 HB2 TYR A 94 45.766 3.306 18.884 1.00 25.00 H new ATOM 0 HB3 TYR A 94 47.204 4.287 18.688 1.00 25.00 H new ATOM 0 HD1 TYR A 94 44.320 3.574 20.946 1.00 25.00 H new ATOM 0 HD2 TYR A 94 48.071 5.633 20.523 1.00 25.00 H new ATOM 0 HE1 TYR A 94 44.234 4.226 23.343 1.00 25.00 H new ATOM 0 HE2 TYR A 94 48.027 6.196 22.960 1.00 25.00 H new ATOM 0 HH TYR A 94 46.862 6.080 24.886 1.00 25.00 H new ATOM 1468 N GLN A 95 46.384 5.313 16.026 1.00 25.00 N ATOM 1469 CA GLN A 95 46.551 4.896 14.637 1.00 25.00 C ATOM 1470 C GLN A 95 47.790 4.008 14.611 1.00 25.00 C ATOM 1471 O GLN A 95 48.661 4.126 15.479 1.00 25.00 O ATOM 1472 CB GLN A 95 46.652 6.110 13.701 1.00 25.00 C ATOM 1473 CG GLN A 95 47.898 6.981 13.859 1.00 25.00 C ATOM 1474 CD GLN A 95 47.820 8.245 13.029 1.00 25.00 C ATOM 1475 OE1 GLN A 95 47.475 8.220 11.850 1.00 25.00 O ATOM 1476 NE2 GLN A 95 48.112 9.361 13.632 1.00 25.00 N ATOM 0 H GLN A 95 47.120 5.931 16.367 1.00 25.00 H new ATOM 0 HA GLN A 95 45.689 4.339 14.270 1.00 25.00 H new ATOM 0 HB2 GLN A 95 46.611 5.754 12.672 1.00 25.00 H new ATOM 0 HB3 GLN A 95 45.774 6.737 13.856 1.00 25.00 H new ATOM 0 HG2 GLN A 95 48.024 7.245 14.909 1.00 25.00 H new ATOM 0 HG3 GLN A 95 48.779 6.409 13.566 1.00 25.00 H new ATOM 0 HE21 GLN A 95 48.396 9.352 14.612 1.00 25.00 H new ATOM 0 HE22 GLN A 95 48.057 10.244 13.125 1.00 25.00 H new ATOM 1485 N GLU A 96 47.865 3.106 13.647 1.00 25.00 N ATOM 1486 CA GLU A 96 48.938 2.116 13.571 1.00 25.00 C ATOM 1487 C GLU A 96 49.672 2.328 12.256 1.00 25.00 C ATOM 1488 O GLU A 96 49.097 2.785 11.267 1.00 25.00 O ATOM 1489 CB GLU A 96 48.360 0.696 13.626 1.00 25.00 C ATOM 1490 CG GLU A 96 47.748 0.280 14.970 1.00 25.00 C ATOM 1491 CD GLU A 96 48.789 0.109 16.074 1.00 25.00 C ATOM 1492 OE1 GLU A 96 49.786 -0.621 15.859 1.00 25.00 O ATOM 1493 OE2 GLU A 96 48.619 0.665 17.181 1.00 25.00 O ATOM 0 H GLU A 96 47.184 3.035 12.891 1.00 25.00 H new ATOM 0 HA GLU A 96 49.619 2.234 14.414 1.00 25.00 H new ATOM 0 HB2 GLU A 96 47.595 0.605 12.855 1.00 25.00 H new ATOM 0 HB3 GLU A 96 49.152 -0.009 13.374 1.00 25.00 H new ATOM 0 HG2 GLU A 96 47.020 1.030 15.279 1.00 25.00 H new ATOM 0 HG3 GLU A 96 47.206 -0.657 14.841 1.00 25.00 H new ATOM 1500 N GLN A 97 50.950 1.984 12.233 1.00 25.00 N ATOM 1501 CA GLN A 97 51.793 2.190 11.057 1.00 25.00 C ATOM 1502 C GLN A 97 51.437 1.180 9.968 1.00 25.00 C ATOM 1503 O GLN A 97 51.694 1.388 8.783 1.00 25.00 O ATOM 1504 CB GLN A 97 53.264 2.060 11.466 1.00 25.00 C ATOM 1505 CG GLN A 97 53.696 3.112 12.496 1.00 25.00 C ATOM 1506 CD GLN A 97 55.144 2.984 12.922 1.00 25.00 C ATOM 1507 OE1 GLN A 97 55.722 1.898 12.929 1.00 25.00 O ATOM 1508 NE2 GLN A 97 55.740 4.082 13.301 1.00 25.00 N ATOM 0 H GLN A 97 51.434 1.556 13.022 1.00 25.00 H new ATOM 0 HA GLN A 97 51.624 3.188 10.653 1.00 25.00 H new ATOM 0 HB2 GLN A 97 53.434 1.065 11.878 1.00 25.00 H new ATOM 0 HB3 GLN A 97 53.891 2.149 10.579 1.00 25.00 H new ATOM 0 HG2 GLN A 97 53.535 4.106 12.077 1.00 25.00 H new ATOM 0 HG3 GLN A 97 53.058 3.030 13.376 1.00 25.00 H new ATOM 0 HE21 GLN A 97 55.235 4.968 13.284 1.00 25.00 H new ATOM 0 HE22 GLN A 97 56.710 4.054 13.614 1.00 25.00 H new ATOM 1517 N THR A 98 50.797 0.097 10.379 1.00 25.00 N ATOM 1518 CA THR A 98 50.335 -0.955 9.480 1.00 25.00 C ATOM 1519 C THR A 98 49.045 -0.599 8.738 1.00 25.00 C ATOM 1520 O THR A 98 48.673 -1.273 7.775 1.00 25.00 O ATOM 1521 CB THR A 98 50.023 -2.193 10.326 1.00 25.00 C ATOM 1522 OG1 THR A 98 49.136 -1.792 11.373 1.00 25.00 O ATOM 1523 CG2 THR A 98 51.276 -2.746 10.997 1.00 25.00 C ATOM 0 H THR A 98 50.580 -0.081 11.360 1.00 25.00 H new ATOM 0 HA THR A 98 51.122 -1.112 8.743 1.00 25.00 H new ATOM 0 HB THR A 98 49.598 -2.956 9.674 1.00 25.00 H new ATOM 0 HG1 THR A 98 48.917 -2.567 11.931 1.00 25.00 H new ATOM 0 HG21 THR A 98 51.015 -3.624 11.588 1.00 25.00 H new ATOM 0 HG22 THR A 98 52.004 -3.025 10.235 1.00 25.00 H new ATOM 0 HG23 THR A 98 51.706 -1.985 11.648 1.00 25.00 H new ATOM 1531 N GLY A 99 48.342 0.436 9.178 1.00 25.00 N ATOM 1532 CA GLY A 99 47.078 0.793 8.551 1.00 25.00 C ATOM 1533 C GLY A 99 45.947 -0.169 8.874 1.00 25.00 C ATOM 1534 O GLY A 99 46.083 -1.053 9.734 1.00 25.00 O ATOM 0 H GLY A 99 48.620 1.035 9.955 1.00 25.00 H new ATOM 0 HA2 GLY A 99 46.794 1.796 8.870 1.00 25.00 H new ATOM 0 HA3 GLY A 99 47.215 0.830 7.470 1.00 25.00 H new ATOM 1538 N GLY A 100 44.815 0.009 8.205 1.00 25.00 N ATOM 1539 CA GLY A 100 43.636 -0.817 8.447 1.00 25.00 C ATOM 1540 C GLY A 100 43.663 -2.173 7.776 1.00 25.00 C ATOM 1541 O GLY A 100 42.774 -2.995 8.067 1.00 25.00 O ATOM 0 H GLY A 100 44.687 0.722 7.487 1.00 25.00 H new ATOM 0 HA2 GLY A 100 43.525 -0.961 9.522 1.00 25.00 H new ATOM 0 HA3 GLY A 100 42.754 -0.276 8.105 1.00 25.00 H new TER 1545 GLY A 100