USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 708 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 37 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 91 HIS : no HE2:sc= 0.0642 K(o=0.064,f=-1.2) USER MOD Set 2.1: A 38 GLN : amide:sc= 1.2 K(o=1,f=-4!) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.183 K(o=1,f=-0.64!) USER MOD Set 3.1: A 31 TYR OH : rot 63:sc= 0.839 USER MOD Set 3.2: A 90 HIS : no HE2:sc= 0.862 K(o=1.7,f=-4.9!) USER MOD Set 4.1: A 14 THR OG1 : rot -167:sc= 0.507 USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0.462 USER MOD Set 5.1: A 11 ASN : amide:sc= -0.235 K(o=-0.98,f=-11!) USER MOD Set 5.2: A 13 ASN : amide:sc= -0.745 K(o=-0.98,f=-0.28) USER MOD Set 6.1: A 1 MET N :NH3+ -168:sc= 0.865 (180deg=-0.249) USER MOD Set 6.2: A 88 HIS : no HE2:sc= 1.62 K(o=2.5,f=-13!) USER MOD Set 7.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 26 MET CE :methyl -151:sc= -0.0277 (180deg=-0.11) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -21:sc= 0.0975 USER MOD Single : A 9 THR OG1 : rot -97:sc= 0.179 USER MOD Single : A 12 HIS : no HD1:sc=-0.00206 X(o=-0.0021,f=-0.038) USER MOD Single : A 15 MET CE :methyl -160:sc= -1.26 (180deg=-1.88) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 80:sc= 0.797 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.32 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -37:sc= 0.758 USER MOD Single : A 56 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.63) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 1 (180deg=0.995) USER MOD Single : A 67 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.3!) USER MOD Single : A 70 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.65 K(o=0.65,f=-2.9!) USER MOD Single : A 87 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.78) USER MOD Single : A 89 HIS : no HE2:sc= 0.839 K(o=0.84,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.849 -0.436 2.835 1.00 50.00 N ATOM 2 CA MET A 1 -12.457 0.408 3.857 1.00 50.00 C ATOM 3 C MET A 1 -11.954 1.842 3.757 1.00 50.00 C ATOM 4 O MET A 1 -11.956 2.437 2.678 1.00 50.00 O ATOM 5 CB MET A 1 -12.171 -0.157 5.246 1.00 50.00 C ATOM 6 CG MET A 1 -12.709 -1.561 5.478 1.00 50.00 C ATOM 7 SD MET A 1 -14.507 -1.642 5.382 1.00 75.00 S ATOM 8 CE MET A 1 -14.777 -3.403 5.549 1.00 75.00 C ATOM 0 H1 MET A 1 -12.351 -1.346 2.792 1.00 50.00 H new ATOM 0 H2 MET A 1 -11.911 0.038 1.911 1.00 50.00 H new ATOM 0 H3 MET A 1 -10.850 -0.603 3.072 1.00 50.00 H new ATOM 0 HA MET A 1 -13.534 0.416 3.692 1.00 50.00 H new ATOM 0 HB2 MET A 1 -11.093 -0.163 5.407 1.00 50.00 H new ATOM 0 HB3 MET A 1 -12.601 0.511 5.992 1.00 50.00 H new ATOM 0 HG2 MET A 1 -12.279 -2.237 4.739 1.00 50.00 H new ATOM 0 HG3 MET A 1 -12.385 -1.912 6.458 1.00 50.00 H new ATOM 0 HE1 MET A 1 -15.846 -3.613 5.509 1.00 75.00 H new ATOM 0 HE2 MET A 1 -14.274 -3.927 4.737 1.00 75.00 H new ATOM 0 HE3 MET A 1 -14.376 -3.744 6.504 1.00 75.00 H new ATOM 20 N LYS A 2 -11.523 2.392 4.886 1.00 50.00 N ATOM 21 CA LYS A 2 -11.022 3.762 4.930 1.00 50.00 C ATOM 22 C LYS A 2 -9.711 3.845 5.699 1.00 50.00 C ATOM 23 O LYS A 2 -9.604 3.337 6.818 1.00 50.00 O ATOM 24 CB LYS A 2 -12.061 4.691 5.556 1.00 50.00 C ATOM 25 CG LYS A 2 -11.666 6.163 5.561 1.00 50.00 C ATOM 26 CD LYS A 2 -12.809 7.040 6.047 1.00 50.00 C ATOM 27 CE LYS A 2 -12.365 8.486 6.219 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.488 9.368 6.639 1.00 75.00 N ATOM 0 H LYS A 2 -11.510 1.910 5.785 1.00 50.00 H new ATOM 0 HA LYS A 2 -10.834 4.082 3.905 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -13.001 4.581 5.016 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -12.244 4.373 6.582 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.797 6.306 6.203 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -11.374 6.467 4.556 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.634 6.993 5.336 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.185 6.658 6.996 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.569 8.535 6.962 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.949 8.851 5.280 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.143 10.343 6.745 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.238 9.342 5.919 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.869 9.036 7.548 1.00 75.00 H new ATOM 42 N ILE A 3 -8.715 4.485 5.097 1.00 50.00 N ATOM 43 CA ILE A 3 -7.408 4.632 5.725 1.00 50.00 C ATOM 44 C ILE A 3 -7.386 5.818 6.681 1.00 50.00 C ATOM 45 O ILE A 3 -7.953 6.870 6.393 1.00 50.00 O ATOM 46 CB ILE A 3 -6.294 4.812 4.677 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.922 3.461 4.058 1.00 50.00 C ATOM 48 CG2 ILE A 3 -5.074 5.469 5.302 1.00 50.00 C ATOM 49 CD1 ILE A 3 -7.036 2.830 3.254 1.00 50.00 C ATOM 0 H ILE A 3 -8.788 4.911 4.173 1.00 50.00 H new ATOM 0 HA ILE A 3 -7.224 3.714 6.284 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.665 5.464 3.886 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -5.053 3.594 3.414 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -5.628 2.776 4.853 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -4.298 5.588 4.546 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -5.349 6.447 5.696 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.699 4.844 6.112 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -6.697 1.877 2.848 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -7.900 2.664 3.897 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -7.316 3.494 2.436 1.00 50.00 H new ATOM 61 N ILE A 4 -6.727 5.638 7.822 1.00 10.00 N ATOM 62 CA ILE A 4 -6.633 6.692 8.826 1.00 10.00 C ATOM 63 C ILE A 4 -5.335 7.475 8.683 1.00 10.00 C ATOM 64 O ILE A 4 -5.349 8.699 8.553 1.00 50.00 O ATOM 65 CB ILE A 4 -6.724 6.122 10.253 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.085 5.457 10.477 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.488 7.219 11.279 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.203 4.740 11.803 1.00 50.00 C ATOM 0 H ILE A 4 -6.250 4.772 8.074 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.477 7.362 8.658 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.948 5.366 10.375 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.865 6.216 10.414 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.268 4.745 9.672 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.556 6.799 12.283 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.497 7.648 11.131 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.242 7.997 11.160 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.194 4.295 11.889 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.447 3.957 11.862 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.053 5.451 12.616 1.00 50.00 H new ATOM 80 N SER A 5 -4.214 6.762 8.706 1.00 10.00 N ATOM 81 CA SER A 5 -2.904 7.391 8.585 1.00 10.00 C ATOM 82 C SER A 5 -1.855 6.390 8.117 1.00 10.00 C ATOM 83 O SER A 5 -2.096 5.182 8.105 1.00 50.00 O ATOM 84 CB SER A 5 -2.495 8.005 9.910 1.00 50.00 C ATOM 85 OG SER A 5 -2.268 7.032 10.893 1.00 50.00 O ATOM 0 H SER A 5 -4.186 5.747 8.807 1.00 10.00 H new ATOM 0 HA SER A 5 -2.973 8.180 7.836 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.591 8.597 9.771 1.00 50.00 H new ATOM 0 HB3 SER A 5 -3.274 8.688 10.249 1.00 50.00 H new ATOM 0 HG SER A 5 -2.005 7.468 11.730 1.00 50.00 H new ATOM 91 N ILE A 6 -0.689 6.899 7.733 1.00 10.00 N ATOM 92 CA ILE A 6 0.411 6.048 7.298 1.00 10.00 C ATOM 93 C ILE A 6 1.621 6.201 8.210 1.00 10.00 C ATOM 94 O ILE A 6 2.212 7.277 8.299 1.00 50.00 O ATOM 95 CB ILE A 6 0.831 6.363 5.850 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.353 6.170 4.897 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.002 5.487 5.432 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.042 6.517 3.459 1.00 50.00 C ATOM 0 H ILE A 6 -0.482 7.898 7.714 1.00 10.00 H new ATOM 0 HA ILE A 6 0.050 5.021 7.347 1.00 10.00 H new ATOM 0 HB ILE A 6 1.148 7.405 5.800 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.682 5.132 4.947 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.186 6.786 5.238 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.285 5.723 4.406 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.848 5.671 6.094 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.713 4.438 5.496 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.928 6.355 2.846 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.258 7.563 3.394 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.769 5.884 3.099 1.00 50.00 H new ATOM 110 N SER A 7 1.985 5.118 8.889 1.00 10.00 N ATOM 111 CA SER A 7 3.080 5.149 9.850 1.00 10.00 C ATOM 112 C SER A 7 4.301 4.411 9.316 1.00 10.00 C ATOM 113 O SER A 7 4.205 3.637 8.363 1.00 50.00 O ATOM 114 CB SER A 7 2.634 4.546 11.168 1.00 50.00 C ATOM 115 OG SER A 7 2.304 3.189 11.043 1.00 50.00 O ATOM 0 H SER A 7 1.537 4.207 8.791 1.00 10.00 H new ATOM 0 HA SER A 7 3.361 6.190 10.012 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.429 4.659 11.905 1.00 50.00 H new ATOM 0 HB3 SER A 7 1.771 5.095 11.544 1.00 50.00 H new ATOM 0 HG SER A 7 2.103 2.986 10.106 1.00 50.00 H new ATOM 121 N GLU A 8 5.451 4.657 9.933 1.00 10.00 N ATOM 122 CA GLU A 8 6.694 4.013 9.526 1.00 50.00 C ATOM 123 C GLU A 8 6.858 2.655 10.197 1.00 10.00 C ATOM 124 O GLU A 8 6.119 2.317 11.123 1.00 50.00 O ATOM 125 CB GLU A 8 7.892 4.908 9.849 1.00 50.00 C ATOM 126 CG GLU A 8 7.920 6.223 9.085 1.00 50.00 C ATOM 127 CD GLU A 8 9.084 7.077 9.505 1.00 50.00 C ATOM 128 OE1 GLU A 8 9.764 6.705 10.431 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.362 8.040 8.832 1.00 50.00 O ATOM 0 H GLU A 8 5.548 5.300 10.719 1.00 10.00 H new ATOM 0 HA GLU A 8 6.650 3.856 8.448 1.00 50.00 H new ATOM 0 HB2 GLU A 8 7.891 5.123 10.918 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.809 4.358 9.635 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.981 6.023 8.015 1.00 50.00 H new ATOM 0 HG3 GLU A 8 6.989 6.764 9.255 1.00 50.00 H new ATOM 136 N THR A 9 7.829 1.881 9.726 1.00 50.00 N ATOM 137 CA THR A 9 8.086 0.554 10.274 1.00 10.00 C ATOM 138 C THR A 9 9.576 0.334 10.505 1.00 10.00 C ATOM 139 O THR A 9 10.410 1.081 9.996 1.00 50.00 O ATOM 140 CB THR A 9 7.550 -0.552 9.349 1.00 50.00 C ATOM 141 OG1 THR A 9 8.374 -0.642 8.180 1.00 50.00 O ATOM 142 CG2 THR A 9 6.118 -0.255 8.933 1.00 50.00 C ATOM 0 H THR A 9 8.452 2.150 8.965 1.00 50.00 H new ATOM 0 HA THR A 9 7.562 0.500 11.228 1.00 10.00 H new ATOM 0 HB THR A 9 7.570 -1.498 9.891 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.960 -0.138 7.449 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.757 -1.049 8.279 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.486 -0.199 9.819 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.083 0.696 8.402 1.00 50.00 H new ATOM 150 N PRO A 10 9.903 -0.696 11.276 1.00 50.00 N ATOM 151 CA PRO A 10 11.294 -1.049 11.534 1.00 50.00 C ATOM 152 C PRO A 10 12.061 -1.250 10.234 1.00 50.00 C ATOM 153 O PRO A 10 13.261 -0.980 10.163 1.00 50.00 O ATOM 154 CB PRO A 10 11.207 -2.340 12.357 1.00 50.00 C ATOM 155 CG PRO A 10 9.869 -2.272 13.013 1.00 50.00 C ATOM 156 CD PRO A 10 8.968 -1.598 12.011 1.00 50.00 C ATOM 0 HA PRO A 10 11.837 -0.266 12.063 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.294 -3.222 11.723 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.008 -2.396 13.094 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.503 -3.268 13.264 1.00 50.00 H new ATOM 0 HG3 PRO A 10 9.915 -1.706 13.943 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.494 -2.319 11.344 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.168 -1.040 12.498 1.00 50.00 H new ATOM 164 N ASN A 11 11.364 -1.725 9.208 1.00 50.00 N ATOM 165 CA ASN A 11 11.944 -1.844 7.876 1.00 50.00 C ATOM 166 C ASN A 11 11.511 -0.691 6.980 1.00 50.00 C ATOM 167 O ASN A 11 10.349 -0.605 6.582 1.00 50.00 O ATOM 168 CB ASN A 11 11.589 -3.172 7.233 1.00 50.00 C ATOM 169 CG ASN A 11 12.254 -3.398 5.903 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.770 -2.464 5.278 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.174 -4.616 5.432 1.00 50.00 N ATOM 0 H ASN A 11 10.394 -2.035 9.274 1.00 50.00 H new ATOM 0 HA ASN A 11 13.027 -1.801 7.992 1.00 50.00 H new ATOM 0 HB2 ASN A 11 11.868 -3.979 7.910 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.508 -3.225 7.102 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.548 -4.831 4.508 1.00 50.00 H new ATOM 0 HD22 ASN A 11 11.738 -5.351 5.989 1.00 50.00 H new ATOM 178 N HIS A 12 12.452 0.191 6.664 1.00 50.00 N ATOM 179 CA HIS A 12 12.130 1.446 5.997 1.00 50.00 C ATOM 180 C HIS A 12 11.673 1.206 4.563 1.00 50.00 C ATOM 181 O HIS A 12 11.185 2.118 3.896 1.00 50.00 O ATOM 182 CB HIS A 12 13.337 2.391 6.008 1.00 50.00 C ATOM 183 CG HIS A 12 14.421 1.995 5.053 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.382 1.057 5.367 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.694 2.410 3.794 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.202 0.912 4.340 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.806 1.722 3.375 1.00 75.00 N ATOM 0 H HIS A 12 13.445 0.060 6.859 1.00 50.00 H new ATOM 0 HA HIS A 12 11.312 1.911 6.547 1.00 50.00 H new ATOM 0 HB2 HIS A 12 13.000 3.399 5.764 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.749 2.428 7.016 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.141 3.144 3.226 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.051 0.245 4.298 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.254 1.821 2.464 1.00 75.00 H new ATOM 195 N ASN A 13 11.832 -0.027 4.095 1.00 10.00 N ATOM 196 CA ASN A 13 11.469 -0.381 2.728 1.00 10.00 C ATOM 197 C ASN A 13 9.969 -0.614 2.601 1.00 10.00 C ATOM 198 O ASN A 13 9.451 -0.792 1.498 1.00 50.00 O ATOM 199 CB ASN A 13 12.233 -1.601 2.249 1.00 50.00 C ATOM 200 CG ASN A 13 13.707 -1.361 2.073 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.544 -2.155 2.516 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.030 -0.231 1.498 1.00 50.00 N ATOM 0 H ASN A 13 12.211 -0.799 4.643 1.00 10.00 H new ATOM 0 HA ASN A 13 11.743 0.461 2.093 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.089 -2.412 2.963 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.812 -1.933 1.300 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.011 0.029 1.399 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.300 0.390 1.149 1.00 50.00 H new ATOM 209 N THR A 14 9.277 -0.612 3.734 1.00 10.00 N ATOM 210 CA THR A 14 7.828 -0.774 3.746 1.00 10.00 C ATOM 211 C THR A 14 7.172 0.199 4.716 1.00 10.00 C ATOM 212 O THR A 14 7.768 0.584 5.723 1.00 50.00 O ATOM 213 CB THR A 14 7.423 -2.210 4.126 1.00 50.00 C ATOM 214 OG1 THR A 14 6.005 -2.363 3.987 1.00 50.00 O ATOM 215 CG2 THR A 14 7.823 -2.515 5.561 1.00 50.00 C ATOM 0 H THR A 14 9.696 -0.500 4.657 1.00 10.00 H new ATOM 0 HA THR A 14 7.482 -0.563 2.734 1.00 10.00 H new ATOM 0 HB THR A 14 7.937 -2.904 3.461 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.722 -3.195 4.421 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.529 -3.534 5.812 1.00 50.00 H new ATOM 0 HG22 THR A 14 8.903 -2.412 5.667 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.324 -1.817 6.234 1.00 50.00 H new ATOM 223 N MET A 15 5.942 0.597 4.408 1.00 10.00 N ATOM 224 CA MET A 15 5.169 1.457 5.297 1.00 10.00 C ATOM 225 C MET A 15 3.916 0.750 5.794 1.00 10.00 C ATOM 226 O MET A 15 3.368 -0.117 5.112 1.00 50.00 O ATOM 227 CB MET A 15 4.797 2.754 4.581 1.00 50.00 C ATOM 228 CG MET A 15 5.986 3.599 4.148 1.00 50.00 C ATOM 229 SD MET A 15 6.869 4.324 5.543 1.00 50.00 S ATOM 230 CE MET A 15 5.673 5.531 6.109 1.00 50.00 C ATOM 0 H MET A 15 5.458 0.337 3.548 1.00 10.00 H new ATOM 0 HA MET A 15 5.787 1.693 6.163 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.201 2.511 3.702 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.165 3.349 5.240 1.00 50.00 H new ATOM 0 HG2 MET A 15 6.673 2.982 3.569 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.640 4.395 3.489 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.176 6.287 6.712 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.202 6.007 5.249 1.00 50.00 H new ATOM 0 HE3 MET A 15 4.912 5.034 6.711 1.00 50.00 H new ATOM 240 N LYS A 16 3.464 1.125 6.986 1.00 10.00 N ATOM 241 CA LYS A 16 2.303 0.493 7.599 1.00 10.00 C ATOM 242 C LYS A 16 1.112 1.442 7.630 1.00 10.00 C ATOM 243 O LYS A 16 1.174 2.509 8.240 1.00 50.00 O ATOM 244 CB LYS A 16 2.635 0.020 9.015 1.00 50.00 C ATOM 245 CG LYS A 16 1.483 -0.667 9.735 1.00 50.00 C ATOM 246 CD LYS A 16 1.868 -1.050 11.156 1.00 50.00 C ATOM 247 CE LYS A 16 0.704 -1.696 11.892 1.00 50.00 C ATOM 248 NZ LYS A 16 1.049 -2.026 13.301 1.00 50.00 N ATOM 0 H LYS A 16 3.886 1.865 7.547 1.00 10.00 H new ATOM 0 HA LYS A 16 2.035 -0.371 6.991 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.479 -0.668 8.967 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.957 0.878 9.606 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.618 -0.004 9.757 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.187 -1.559 9.183 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.713 -1.739 11.133 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.195 -0.162 11.698 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.153 -1.023 11.877 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.405 -2.605 11.370 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 0.228 -2.464 13.766 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.850 -2.689 13.316 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.310 -1.156 13.807 1.00 50.00 H new ATOM 262 N ILE A 17 0.029 1.046 6.970 1.00 10.00 N ATOM 263 CA ILE A 17 -1.130 1.916 6.808 1.00 10.00 C ATOM 264 C ILE A 17 -2.308 1.426 7.639 1.00 10.00 C ATOM 265 O ILE A 17 -2.731 0.277 7.516 1.00 50.00 O ATOM 266 CB ILE A 17 -1.559 2.014 5.333 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.435 2.621 4.488 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.830 2.841 5.203 1.00 50.00 C ATOM 269 CD1 ILE A 17 0.481 1.592 3.864 1.00 50.00 C ATOM 0 H ILE A 17 -0.070 0.127 6.538 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.832 2.905 7.157 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.763 1.009 4.964 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.875 3.230 3.698 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.157 3.290 5.113 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.120 2.900 4.154 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.630 2.371 5.774 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.652 3.845 5.588 1.00 50.00 H new ATOM 0 HD11 ILE A 17 1.251 2.097 3.281 1.00 50.00 H new ATOM 0 HD12 ILE A 17 0.950 0.999 4.649 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -0.097 0.938 3.212 1.00 50.00 H new ATOM 281 N THR A 18 -2.835 2.304 8.485 1.00 10.00 N ATOM 282 CA THR A 18 -3.887 1.930 9.422 1.00 10.00 C ATOM 283 C THR A 18 -5.264 2.050 8.781 1.00 10.00 C ATOM 284 O THR A 18 -5.560 3.035 8.106 1.00 50.00 O ATOM 285 CB THR A 18 -3.848 2.797 10.695 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.593 2.610 11.364 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.982 2.418 11.634 1.00 50.00 C ATOM 0 H THR A 18 -2.550 3.282 8.541 1.00 10.00 H new ATOM 0 HA THR A 18 -3.706 0.891 9.697 1.00 10.00 H new ATOM 0 HB THR A 18 -3.963 3.843 10.409 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.568 3.163 12.173 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.938 3.041 12.527 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.937 2.571 11.131 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.885 1.370 11.917 1.00 50.00 H new ATOM 295 N LEU A 19 -6.101 1.041 8.997 1.00 10.00 N ATOM 296 CA LEU A 19 -7.456 1.042 8.461 1.00 50.00 C ATOM 297 C LEU A 19 -8.469 1.455 9.522 1.00 10.00 C ATOM 298 O LEU A 19 -8.202 1.356 10.719 1.00 50.00 O ATOM 299 CB LEU A 19 -7.806 -0.342 7.899 1.00 50.00 C ATOM 300 CG LEU A 19 -6.854 -0.865 6.816 1.00 50.00 C ATOM 301 CD1 LEU A 19 -7.271 -2.266 6.389 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.861 0.085 5.628 1.00 50.00 C ATOM 0 H LEU A 19 -5.864 0.211 9.540 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.499 1.773 7.654 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.823 -1.057 8.721 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.815 -0.305 7.487 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.841 -0.916 7.216 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.590 -2.630 5.620 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.237 -2.934 7.250 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -8.286 -2.238 5.992 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -6.184 -0.288 4.860 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.870 0.152 5.221 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.534 1.073 5.951 1.00 50.00 H new ATOM 314 N SER A 20 -9.631 1.917 9.074 1.00 10.00 N ATOM 315 CA SER A 20 -10.643 2.447 9.979 1.00 10.00 C ATOM 316 C SER A 20 -11.325 1.331 10.760 1.00 50.00 C ATOM 317 O SER A 20 -11.877 1.560 11.836 1.00 50.00 O ATOM 318 CB SER A 20 -11.668 3.250 9.203 1.00 50.00 C ATOM 319 OG SER A 20 -12.421 2.446 8.336 1.00 50.00 O ATOM 0 H SER A 20 -9.895 1.935 8.089 1.00 10.00 H new ATOM 0 HA SER A 20 -10.147 3.102 10.696 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.336 3.755 9.901 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.161 4.026 8.629 1.00 50.00 H new ATOM 0 HG SER A 20 -13.126 1.990 8.842 1.00 50.00 H new ATOM 325 N GLU A 21 -11.283 0.121 10.213 1.00 50.00 N ATOM 326 CA GLU A 21 -12.022 -1.000 10.776 1.00 50.00 C ATOM 327 C GLU A 21 -11.114 -1.897 11.608 1.00 75.00 C ATOM 328 O GLU A 21 -9.892 -1.869 11.458 1.00 75.00 O ATOM 329 CB GLU A 21 -12.688 -1.815 9.664 1.00 50.00 C ATOM 330 CG GLU A 21 -13.644 -1.020 8.788 1.00 50.00 C ATOM 331 CD GLU A 21 -14.615 -0.229 9.618 1.00 75.00 C ATOM 332 OE1 GLU A 21 -15.315 -0.820 10.405 1.00 75.00 O ATOM 333 OE2 GLU A 21 -14.583 0.977 9.547 1.00 75.00 O ATOM 0 H GLU A 21 -10.743 -0.108 9.378 1.00 50.00 H new ATOM 0 HA GLU A 21 -12.794 -0.595 11.430 1.00 50.00 H new ATOM 0 HB2 GLU A 21 -11.912 -2.248 9.033 1.00 50.00 H new ATOM 0 HB3 GLU A 21 -13.232 -2.645 10.115 1.00 50.00 H new ATOM 0 HG2 GLU A 21 -13.077 -0.346 8.146 1.00 50.00 H new ATOM 0 HG3 GLU A 21 -14.191 -1.699 8.133 1.00 50.00 H new ATOM 340 N SER A 22 -11.717 -2.689 12.488 1.00 75.00 N ATOM 341 CA SER A 22 -10.963 -3.590 13.349 1.00 75.00 C ATOM 342 C SER A 22 -10.538 -4.845 12.598 1.00 75.00 C ATOM 343 O SER A 22 -10.975 -5.082 11.472 1.00 75.00 O ATOM 344 CB SER A 22 -11.788 -3.959 14.568 1.00 75.00 C ATOM 345 OG SER A 22 -12.882 -4.769 14.237 1.00 75.00 O ATOM 0 H SER A 22 -12.727 -2.725 12.623 1.00 75.00 H new ATOM 0 HA SER A 22 -10.060 -3.072 13.673 1.00 75.00 H new ATOM 0 HB2 SER A 22 -11.157 -4.479 15.289 1.00 75.00 H new ATOM 0 HB3 SER A 22 -12.144 -3.050 15.053 1.00 75.00 H new ATOM 0 HG SER A 22 -13.386 -4.986 15.049 1.00 75.00 H new ATOM 351 N ARG A 23 -9.682 -5.645 13.226 1.00 75.00 N ATOM 352 CA ARG A 23 -9.184 -6.869 12.611 1.00 75.00 C ATOM 353 C ARG A 23 -10.290 -7.909 12.483 1.00 75.00 C ATOM 354 O ARG A 23 -10.169 -8.865 11.717 1.00 75.00 O ATOM 355 CB ARG A 23 -7.974 -7.428 13.344 1.00 75.00 C ATOM 356 CG ARG A 23 -8.264 -7.975 14.732 1.00 75.00 C ATOM 357 CD ARG A 23 -7.058 -8.395 15.489 1.00 75.00 C ATOM 358 NE ARG A 23 -7.332 -8.924 16.816 1.00 75.00 N ATOM 359 CZ ARG A 23 -7.633 -8.173 17.893 1.00 75.00 C ATOM 360 NH1 ARG A 23 -7.663 -6.860 17.815 1.00 75.00 N ATOM 361 NH2 ARG A 23 -7.875 -8.787 19.037 1.00 75.00 N ATOM 0 H ARG A 23 -9.319 -5.466 14.162 1.00 75.00 H new ATOM 0 HA ARG A 23 -8.850 -6.611 11.606 1.00 75.00 H new ATOM 0 HB2 ARG A 23 -7.537 -8.223 12.740 1.00 75.00 H new ATOM 0 HB3 ARG A 23 -7.223 -6.642 13.428 1.00 75.00 H new ATOM 0 HG2 ARG A 23 -8.792 -7.214 15.306 1.00 75.00 H new ATOM 0 HG3 ARG A 23 -8.936 -8.828 14.640 1.00 75.00 H new ATOM 0 HD2 ARG A 23 -6.528 -9.153 14.912 1.00 75.00 H new ATOM 0 HD3 ARG A 23 -6.388 -7.540 15.584 1.00 75.00 H new ATOM 0 HE ARG A 23 -7.293 -9.936 16.940 1.00 75.00 H new ATOM 0 HH11 ARG A 23 -7.457 -6.397 16.930 1.00 75.00 H new ATOM 0 HH12 ARG A 23 -7.893 -6.305 18.640 1.00 75.00 H new ATOM 0 HH21 ARG A 23 -7.831 -9.805 19.089 1.00 75.00 H new ATOM 0 HH22 ARG A 23 -8.105 -8.243 19.869 1.00 75.00 H new ATOM 375 N GLU A 24 -11.366 -7.718 13.238 1.00 75.00 N ATOM 376 CA GLU A 24 -12.497 -8.636 13.206 1.00 75.00 C ATOM 377 C GLU A 24 -13.214 -8.582 11.862 1.00 75.00 C ATOM 378 O GLU A 24 -13.713 -7.531 11.457 1.00 75.00 O ATOM 379 CB GLU A 24 -13.477 -8.320 14.338 1.00 75.00 C ATOM 380 CG GLU A 24 -14.626 -9.309 14.470 1.00 75.00 C ATOM 381 CD GLU A 24 -15.523 -8.954 15.623 1.00 75.00 C ATOM 382 OE1 GLU A 24 -15.215 -8.021 16.326 1.00 75.00 O ATOM 383 OE2 GLU A 24 -16.575 -9.540 15.734 1.00 75.00 O ATOM 0 H GLU A 24 -11.478 -6.934 13.881 1.00 75.00 H new ATOM 0 HA GLU A 24 -12.110 -9.645 13.345 1.00 75.00 H new ATOM 0 HB2 GLU A 24 -12.928 -8.291 15.279 1.00 75.00 H new ATOM 0 HB3 GLU A 24 -13.888 -7.323 14.178 1.00 75.00 H new ATOM 0 HG2 GLU A 24 -15.205 -9.322 13.547 1.00 75.00 H new ATOM 0 HG3 GLU A 24 -14.229 -10.314 14.612 1.00 75.00 H new ATOM 390 N GLY A 25 -13.262 -9.718 11.176 1.00 75.00 N ATOM 391 CA GLY A 25 -13.922 -9.803 9.878 1.00 75.00 C ATOM 392 C GLY A 25 -12.936 -9.566 8.743 1.00 50.00 C ATOM 393 O GLY A 25 -13.287 -9.682 7.568 1.00 75.00 O ATOM 0 H GLY A 25 -12.851 -10.595 11.497 1.00 75.00 H new ATOM 0 HA2 GLY A 25 -14.382 -10.785 9.765 1.00 75.00 H new ATOM 0 HA3 GLY A 25 -14.724 -9.067 9.826 1.00 75.00 H new ATOM 397 N MET A 26 -11.700 -9.233 9.098 1.00 50.00 N ATOM 398 CA MET A 26 -10.672 -8.932 8.107 1.00 50.00 C ATOM 399 C MET A 26 -9.901 -10.185 7.715 1.00 50.00 C ATOM 400 O MET A 26 -9.837 -11.151 8.478 1.00 50.00 O ATOM 401 CB MET A 26 -9.715 -7.870 8.646 1.00 50.00 C ATOM 402 CG MET A 26 -10.364 -6.521 8.922 1.00 50.00 C ATOM 403 SD MET A 26 -10.818 -5.645 7.412 1.00 50.00 S ATOM 404 CE MET A 26 -12.583 -5.938 7.369 1.00 50.00 C ATOM 0 H MET A 26 -11.385 -9.164 10.066 1.00 50.00 H new ATOM 0 HA MET A 26 -11.166 -8.547 7.215 1.00 50.00 H new ATOM 0 HB2 MET A 26 -9.265 -8.238 9.568 1.00 50.00 H new ATOM 0 HB3 MET A 26 -8.906 -7.730 7.929 1.00 50.00 H new ATOM 0 HG2 MET A 26 -11.254 -6.669 9.533 1.00 50.00 H new ATOM 0 HG3 MET A 26 -9.678 -5.904 9.503 1.00 50.00 H new ATOM 0 HE1 MET A 26 -12.926 -5.941 6.334 1.00 50.00 H new ATOM 0 HE2 MET A 26 -12.803 -6.902 7.827 1.00 50.00 H new ATOM 0 HE3 MET A 26 -13.096 -5.150 7.920 1.00 50.00 H new ATOM 414 N THR A 27 -9.316 -10.166 6.523 1.00 50.00 N ATOM 415 CA THR A 27 -8.563 -11.308 6.019 1.00 50.00 C ATOM 416 C THR A 27 -7.109 -10.938 5.759 1.00 50.00 C ATOM 417 O THR A 27 -6.621 -9.918 6.247 1.00 50.00 O ATOM 418 CB THR A 27 -9.180 -11.865 4.722 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.562 -13.117 4.395 1.00 50.00 O ATOM 420 CG2 THR A 27 -8.977 -10.889 3.574 1.00 75.00 C ATOM 0 H THR A 27 -9.349 -9.370 5.886 1.00 50.00 H new ATOM 0 HA THR A 27 -8.607 -12.077 6.790 1.00 50.00 H new ATOM 0 HB THR A 27 -10.249 -12.009 4.878 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.957 -13.471 3.571 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.419 -11.299 2.666 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.456 -9.940 3.814 1.00 75.00 H new ATOM 0 HG23 THR A 27 -7.910 -10.728 3.418 1.00 75.00 H new ATOM 428 N SER A 28 -6.420 -11.771 4.987 1.00 10.00 N ATOM 429 CA SER A 28 -5.075 -11.451 4.522 1.00 10.00 C ATOM 430 C SER A 28 -4.887 -11.852 3.064 1.00 10.00 C ATOM 431 O SER A 28 -5.533 -12.780 2.578 1.00 50.00 O ATOM 432 CB SER A 28 -4.044 -12.138 5.396 1.00 50.00 C ATOM 433 OG SER A 28 -4.116 -13.533 5.302 1.00 50.00 O ATOM 0 H SER A 28 -6.771 -12.674 4.669 1.00 10.00 H new ATOM 0 HA SER A 28 -4.938 -10.372 4.593 1.00 10.00 H new ATOM 0 HB2 SER A 28 -3.047 -11.807 5.107 1.00 50.00 H new ATOM 0 HB3 SER A 28 -4.191 -11.837 6.433 1.00 50.00 H new ATOM 0 HG SER A 28 -3.434 -13.935 5.879 1.00 50.00 H new ATOM 439 N ASP A 29 -3.998 -11.146 2.373 1.00 10.00 N ATOM 440 CA ASP A 29 -3.780 -11.376 0.950 1.00 10.00 C ATOM 441 C ASP A 29 -2.482 -10.730 0.481 1.00 10.00 C ATOM 442 O ASP A 29 -1.986 -9.789 1.101 1.00 50.00 O ATOM 443 CB ASP A 29 -4.958 -10.840 0.132 1.00 50.00 C ATOM 444 CG ASP A 29 -5.110 -11.474 -1.242 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.303 -12.307 -1.583 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.111 -11.242 -1.875 1.00 50.00 O ATOM 0 H ASP A 29 -3.417 -10.410 2.775 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.702 -12.452 0.795 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.878 -10.998 0.695 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.840 -9.763 0.011 1.00 50.00 H new ATOM 451 N THR A 30 -1.935 -11.243 -0.615 1.00 10.00 N ATOM 452 CA THR A 30 -0.711 -10.696 -1.188 1.00 10.00 C ATOM 453 C THR A 30 -0.946 -10.179 -2.601 1.00 10.00 C ATOM 454 O THR A 30 -1.509 -10.878 -3.442 1.00 50.00 O ATOM 455 CB THR A 30 0.417 -11.746 -1.217 1.00 50.00 C ATOM 456 OG1 THR A 30 0.690 -12.194 0.117 1.00 50.00 O ATOM 457 CG2 THR A 30 1.683 -11.153 -1.817 1.00 50.00 C ATOM 0 H THR A 30 -2.320 -12.038 -1.125 1.00 10.00 H new ATOM 0 HA THR A 30 -0.408 -9.867 -0.548 1.00 10.00 H new ATOM 0 HB THR A 30 0.095 -12.586 -1.832 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.406 -12.862 0.097 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.468 -11.909 -1.829 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.482 -10.822 -2.836 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.007 -10.303 -1.216 1.00 50.00 H new ATOM 465 N TYR A 31 -0.509 -8.949 -2.856 1.00 10.00 N ATOM 466 CA TYR A 31 -0.790 -8.285 -4.124 1.00 10.00 C ATOM 467 C TYR A 31 0.498 -7.890 -4.835 1.00 10.00 C ATOM 468 O TYR A 31 1.156 -6.922 -4.456 1.00 50.00 O ATOM 469 CB TYR A 31 -1.665 -7.050 -3.897 1.00 50.00 C ATOM 470 CG TYR A 31 -2.990 -7.351 -3.232 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.000 -8.004 -3.921 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.227 -6.978 -1.916 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.211 -8.281 -3.318 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.434 -7.250 -1.304 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.425 -7.902 -2.009 1.00 50.00 C ATOM 476 OH TYR A 31 -6.632 -8.175 -1.405 1.00 50.00 O ATOM 0 H TYR A 31 0.041 -8.393 -2.201 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.328 -8.989 -4.759 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.116 -6.336 -3.284 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.852 -6.568 -4.857 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.837 -8.301 -4.946 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.454 -6.466 -1.362 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.987 -8.792 -3.869 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.602 -6.954 -0.279 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.766 -9.145 -1.365 1.00 50.00 H new ATOM 486 N THR A 32 0.852 -8.647 -5.869 1.00 10.00 N ATOM 487 CA THR A 32 2.047 -8.360 -6.653 1.00 10.00 C ATOM 488 C THR A 32 1.690 -8.016 -8.094 1.00 10.00 C ATOM 489 O THR A 32 2.392 -7.249 -8.751 1.00 50.00 O ATOM 490 CB THR A 32 3.025 -9.547 -6.647 1.00 50.00 C ATOM 491 OG1 THR A 32 2.400 -10.689 -7.246 1.00 50.00 O ATOM 492 CG2 THR A 32 3.440 -9.889 -5.224 1.00 50.00 C ATOM 0 H THR A 32 0.328 -9.464 -6.183 1.00 10.00 H new ATOM 0 HA THR A 32 2.530 -7.502 -6.186 1.00 10.00 H new ATOM 0 HB THR A 32 3.912 -9.270 -7.217 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.025 -11.443 -7.243 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.132 -10.731 -5.239 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.928 -9.026 -4.770 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.558 -10.155 -4.642 1.00 50.00 H new ATOM 500 N LYS A 33 0.594 -8.590 -8.579 1.00 10.00 N ATOM 501 CA LYS A 33 0.108 -8.298 -9.922 1.00 50.00 C ATOM 502 C LYS A 33 -1.268 -7.646 -9.880 1.00 50.00 C ATOM 503 O LYS A 33 -1.940 -7.658 -8.850 1.00 50.00 O ATOM 504 CB LYS A 33 0.059 -9.574 -10.764 1.00 50.00 C ATOM 505 CG LYS A 33 1.419 -10.206 -11.026 1.00 50.00 C ATOM 506 CD LYS A 33 1.289 -11.472 -11.860 1.00 50.00 C ATOM 507 CE LYS A 33 2.649 -12.094 -12.141 1.00 75.00 C ATOM 508 NZ LYS A 33 2.537 -13.335 -12.953 1.00 75.00 N ATOM 0 H LYS A 33 0.025 -9.260 -8.062 1.00 10.00 H new ATOM 0 HA LYS A 33 0.804 -7.597 -10.383 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.576 -10.303 -10.261 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.413 -9.346 -11.720 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.061 -9.492 -11.542 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.902 -10.441 -10.078 1.00 50.00 H new ATOM 0 HD2 LYS A 33 0.659 -12.191 -11.336 1.00 50.00 H new ATOM 0 HD3 LYS A 33 0.792 -11.240 -12.802 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.276 -11.373 -12.665 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.145 -12.322 -11.198 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 3.486 -13.726 -13.122 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 1.960 -14.033 -12.442 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 2.087 -13.114 -13.864 1.00 75.00 H new ATOM 522 N VAL A 34 -1.682 -7.075 -11.008 1.00 50.00 N ATOM 523 CA VAL A 34 -2.988 -6.435 -11.107 1.00 50.00 C ATOM 524 C VAL A 34 -4.061 -7.435 -11.517 1.00 50.00 C ATOM 525 O VAL A 34 -3.948 -8.095 -12.548 1.00 50.00 O ATOM 526 CB VAL A 34 -2.971 -5.272 -12.118 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.361 -4.670 -12.261 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.973 -4.208 -11.687 1.00 50.00 C ATOM 0 H VAL A 34 -1.131 -7.043 -11.866 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.222 -6.042 -10.118 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.663 -5.663 -13.088 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.330 -3.850 -12.979 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -5.054 -5.434 -12.612 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.696 -4.294 -11.294 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.973 -3.394 -12.412 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.253 -3.822 -10.707 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.976 -4.645 -11.633 1.00 50.00 H new ATOM 538 N ASP A 35 -5.106 -7.540 -10.700 1.00 50.00 N ATOM 539 CA ASP A 35 -6.217 -8.438 -10.990 1.00 50.00 C ATOM 540 C ASP A 35 -7.543 -7.834 -10.547 1.00 50.00 C ATOM 541 O ASP A 35 -7.576 -6.928 -9.715 1.00 50.00 O ATOM 542 CB ASP A 35 -6.003 -9.793 -10.312 1.00 50.00 C ATOM 543 CG ASP A 35 -6.794 -10.938 -10.930 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.472 -10.709 -11.904 1.00 50.00 O ATOM 545 OD2 ASP A 35 -6.593 -12.059 -10.526 1.00 50.00 O ATOM 0 H ASP A 35 -5.205 -7.014 -9.832 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.253 -8.585 -12.069 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.942 -10.040 -10.348 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -6.275 -9.706 -9.260 1.00 50.00 H new ATOM 550 N ASP A 36 -8.636 -8.343 -11.107 1.00 50.00 N ATOM 551 CA ASP A 36 -9.958 -7.788 -10.847 1.00 50.00 C ATOM 552 C ASP A 36 -10.444 -8.156 -9.451 1.00 50.00 C ATOM 553 O ASP A 36 -11.192 -7.404 -8.824 1.00 50.00 O ATOM 554 CB ASP A 36 -10.960 -8.274 -11.898 1.00 50.00 C ATOM 555 CG ASP A 36 -10.792 -7.636 -13.270 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.087 -6.659 -13.367 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.237 -8.217 -14.230 1.00 50.00 O ATOM 0 H ASP A 36 -8.631 -9.140 -11.744 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.882 -6.702 -10.907 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.866 -9.355 -12.000 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.970 -8.074 -11.539 1.00 50.00 H new ATOM 562 N SER A 37 -10.016 -9.317 -8.967 1.00 50.00 N ATOM 563 CA SER A 37 -10.391 -9.777 -7.636 1.00 50.00 C ATOM 564 C SER A 37 -9.793 -8.886 -6.555 1.00 50.00 C ATOM 565 O SER A 37 -10.203 -8.937 -5.395 1.00 50.00 O ATOM 566 CB SER A 37 -9.950 -11.216 -7.437 1.00 50.00 C ATOM 567 OG SER A 37 -8.555 -11.344 -7.451 1.00 50.00 O ATOM 0 H SER A 37 -9.408 -9.957 -9.478 1.00 50.00 H new ATOM 0 HA SER A 37 -11.476 -9.722 -7.552 1.00 50.00 H new ATOM 0 HB2 SER A 37 -10.339 -11.586 -6.488 1.00 50.00 H new ATOM 0 HB3 SER A 37 -10.379 -11.839 -8.222 1.00 50.00 H new ATOM 0 HG SER A 37 -8.314 -12.275 -7.639 1.00 50.00 H new ATOM 573 N GLN A 38 -8.819 -8.068 -6.943 1.00 50.00 N ATOM 574 CA GLN A 38 -8.120 -7.207 -5.997 1.00 50.00 C ATOM 575 C GLN A 38 -8.809 -5.854 -5.869 1.00 50.00 C ATOM 576 O GLN A 38 -9.489 -5.403 -6.792 1.00 50.00 O ATOM 577 CB GLN A 38 -6.664 -7.005 -6.429 1.00 50.00 C ATOM 578 CG GLN A 38 -5.916 -8.295 -6.715 1.00 50.00 C ATOM 579 CD GLN A 38 -4.619 -8.058 -7.464 1.00 50.00 C ATOM 580 OE1 GLN A 38 -4.403 -6.987 -8.038 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.745 -9.059 -7.464 1.00 50.00 N ATOM 0 H GLN A 38 -8.496 -7.984 -7.907 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.141 -7.700 -5.025 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.645 -6.381 -7.323 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.137 -6.458 -5.647 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.702 -8.803 -5.775 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.553 -8.959 -7.299 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.964 -9.928 -6.976 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.855 -8.959 -7.952 1.00 50.00 H new ATOM 590 N PRO A 39 -8.632 -5.211 -4.720 1.00 50.00 N ATOM 591 CA PRO A 39 -9.182 -3.880 -4.492 1.00 50.00 C ATOM 592 C PRO A 39 -8.785 -2.923 -5.609 1.00 50.00 C ATOM 593 O PRO A 39 -7.633 -2.902 -6.041 1.00 50.00 O ATOM 594 CB PRO A 39 -8.602 -3.461 -3.140 1.00 50.00 C ATOM 595 CG PRO A 39 -8.321 -4.747 -2.440 1.00 50.00 C ATOM 596 CD PRO A 39 -7.900 -5.706 -3.523 1.00 50.00 C ATOM 0 HA PRO A 39 -10.272 -3.868 -4.486 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.695 -2.870 -3.263 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.307 -2.849 -2.578 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.535 -4.626 -1.695 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.204 -5.110 -1.915 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.821 -5.691 -3.676 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.173 -6.733 -3.280 1.00 50.00 H new ATOM 604 N ALA A 40 -9.746 -2.131 -6.072 1.00 50.00 N ATOM 605 CA ALA A 40 -9.462 -1.044 -7.000 1.00 50.00 C ATOM 606 C ALA A 40 -8.285 -0.203 -6.519 1.00 50.00 C ATOM 607 O ALA A 40 -7.395 0.137 -7.297 1.00 50.00 O ATOM 608 CB ALA A 40 -10.695 -0.174 -7.191 1.00 50.00 C ATOM 0 H ALA A 40 -10.730 -2.222 -5.819 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.191 -1.483 -7.960 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.466 0.633 -7.887 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.509 -0.779 -7.591 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -10.995 0.248 -6.232 1.00 50.00 H new ATOM 614 N PHE A 41 -8.289 0.128 -5.233 1.00 50.00 N ATOM 615 CA PHE A 41 -7.186 0.869 -4.631 1.00 50.00 C ATOM 616 C PHE A 41 -5.857 0.166 -4.866 1.00 50.00 C ATOM 617 O PHE A 41 -4.874 0.795 -5.258 1.00 50.00 O ATOM 618 CB PHE A 41 -7.426 1.056 -3.132 1.00 50.00 C ATOM 619 CG PHE A 41 -8.549 2.001 -2.809 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.152 2.750 -3.809 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.003 2.145 -1.508 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.186 3.619 -3.514 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.036 3.012 -1.210 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.627 3.750 -2.215 1.00 75.00 C ATOM 0 H PHE A 41 -9.043 -0.105 -4.587 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.140 1.848 -5.108 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.641 0.086 -2.684 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.510 1.424 -2.670 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.810 2.653 -4.829 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.543 1.572 -0.717 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.648 4.195 -4.302 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.381 3.112 -0.191 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.434 4.429 -1.984 1.00 75.00 H new ATOM 634 N ILE A 42 -5.832 -1.138 -4.622 1.00 50.00 N ATOM 635 CA ILE A 42 -4.619 -1.928 -4.799 1.00 50.00 C ATOM 636 C ILE A 42 -4.134 -1.878 -6.241 1.00 10.00 C ATOM 637 O ILE A 42 -2.933 -1.817 -6.502 1.00 50.00 O ATOM 638 CB ILE A 42 -4.836 -3.397 -4.390 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.023 -3.507 -2.875 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.667 -4.255 -4.850 1.00 50.00 C ATOM 641 CD1 ILE A 42 -3.817 -3.062 -2.077 1.00 50.00 C ATOM 0 H ILE A 42 -6.639 -1.672 -4.300 1.00 50.00 H new ATOM 0 HA ILE A 42 -3.861 -1.489 -4.150 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.741 -3.762 -4.875 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -5.884 -2.907 -2.580 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.254 -4.542 -2.621 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.836 -5.290 -4.553 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.579 -4.199 -5.935 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.747 -3.892 -4.392 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.025 -3.169 -1.012 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -2.958 -3.678 -2.342 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.598 -2.018 -2.301 1.00 50.00 H new ATOM 653 N ASN A 43 -5.076 -1.904 -7.179 1.00 10.00 N ATOM 654 CA ASN A 43 -4.745 -1.925 -8.598 1.00 10.00 C ATOM 655 C ASN A 43 -4.044 -0.641 -9.019 1.00 10.00 C ATOM 656 O ASN A 43 -3.000 -0.676 -9.671 1.00 50.00 O ATOM 657 CB ASN A 43 -5.978 -2.154 -9.453 1.00 50.00 C ATOM 658 CG ASN A 43 -6.508 -3.559 -9.386 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.804 -4.491 -8.983 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.719 -3.730 -9.857 1.00 50.00 N ATOM 0 H ASN A 43 -6.076 -1.911 -6.980 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.062 -2.759 -8.756 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.761 -1.464 -9.138 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.740 -1.914 -10.489 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.121 -4.666 -9.903 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.260 -2.927 -10.177 1.00 50.00 H new ATOM 667 N ASP A 44 -4.622 0.493 -8.643 1.00 10.00 N ATOM 668 CA ASP A 44 -4.001 1.790 -8.891 1.00 10.00 C ATOM 669 C ASP A 44 -2.629 1.876 -8.235 1.00 10.00 C ATOM 670 O ASP A 44 -1.656 2.290 -8.863 1.00 50.00 O ATOM 671 CB ASP A 44 -4.900 2.920 -8.383 1.00 50.00 C ATOM 672 CG ASP A 44 -6.141 3.166 -9.230 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.208 2.643 -10.317 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.074 3.742 -8.725 1.00 50.00 O ATOM 0 H ASP A 44 -5.521 0.542 -8.164 1.00 10.00 H new ATOM 0 HA ASP A 44 -3.872 1.899 -9.968 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.210 2.690 -7.364 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.317 3.840 -8.339 1.00 50.00 H new ATOM 679 N ILE A 45 -2.559 1.483 -6.968 1.00 10.00 N ATOM 680 CA ILE A 45 -1.317 1.566 -6.208 1.00 10.00 C ATOM 681 C ILE A 45 -0.223 0.719 -6.847 1.00 10.00 C ATOM 682 O ILE A 45 0.935 1.131 -6.911 1.00 50.00 O ATOM 683 CB ILE A 45 -1.516 1.116 -4.748 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.389 2.123 -3.994 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.172 0.947 -4.057 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.902 1.611 -2.667 1.00 50.00 C ATOM 0 H ILE A 45 -3.348 1.103 -6.445 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.013 2.613 -6.216 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.025 0.152 -4.747 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.814 3.033 -3.824 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.238 2.395 -4.621 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.330 0.629 -3.027 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.415 0.194 -4.583 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.363 1.896 -4.065 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.512 2.379 -2.192 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.505 0.718 -2.830 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.059 1.366 -2.021 1.00 50.00 H new ATOM 698 N LEU A 46 -0.599 -0.465 -7.315 1.00 10.00 N ATOM 699 CA LEU A 46 0.317 -1.316 -8.066 1.00 10.00 C ATOM 700 C LEU A 46 0.899 -0.577 -9.264 1.00 10.00 C ATOM 701 O LEU A 46 2.083 -0.710 -9.572 1.00 50.00 O ATOM 702 CB LEU A 46 -0.401 -2.591 -8.524 1.00 50.00 C ATOM 703 CG LEU A 46 -0.635 -3.639 -7.428 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.614 -4.697 -7.917 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.693 -4.271 -7.037 1.00 50.00 C ATOM 0 H LEU A 46 -1.532 -0.858 -7.188 1.00 10.00 H new ATOM 0 HA LEU A 46 1.141 -1.590 -7.408 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.365 -2.313 -8.950 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.181 -3.049 -9.324 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.066 -3.157 -6.550 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.773 -5.436 -7.132 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.564 -4.225 -8.169 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.207 -5.189 -8.801 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.526 -5.015 -6.258 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.138 -4.751 -7.909 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.367 -3.500 -6.664 1.00 50.00 H new ATOM 717 N LYS A 47 0.059 0.202 -9.937 1.00 10.00 N ATOM 718 CA LYS A 47 0.468 0.901 -11.149 1.00 10.00 C ATOM 719 C LYS A 47 1.306 2.131 -10.821 1.00 10.00 C ATOM 720 O LYS A 47 2.035 2.643 -11.670 1.00 50.00 O ATOM 721 CB LYS A 47 -0.756 1.305 -11.973 1.00 50.00 C ATOM 722 CG LYS A 47 -1.506 0.137 -12.598 1.00 50.00 C ATOM 723 CD LYS A 47 -2.699 0.616 -13.411 1.00 50.00 C ATOM 724 CE LYS A 47 -3.456 -0.550 -14.025 1.00 50.00 C ATOM 725 NZ LYS A 47 -4.619 -0.095 -14.835 1.00 50.00 N ATOM 0 H LYS A 47 -0.910 0.365 -9.663 1.00 10.00 H new ATOM 0 HA LYS A 47 1.081 0.217 -11.736 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.442 1.861 -11.334 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.438 1.983 -12.765 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.831 -0.430 -13.239 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -1.846 -0.540 -11.815 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.369 1.191 -12.772 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.358 1.286 -14.200 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -2.781 -1.130 -14.654 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -3.803 -1.214 -13.233 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.108 -0.921 -15.236 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.277 0.436 -14.230 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.286 0.518 -15.606 1.00 50.00 H new ATOM 739 N VAL A 48 1.199 2.600 -9.581 1.00 10.00 N ATOM 740 CA VAL A 48 2.015 3.712 -9.110 1.00 10.00 C ATOM 741 C VAL A 48 3.499 3.381 -9.195 1.00 10.00 C ATOM 742 O VAL A 48 3.954 2.385 -8.634 1.00 50.00 O ATOM 743 CB VAL A 48 1.667 4.095 -7.659 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.662 5.111 -7.122 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.250 4.646 -7.580 1.00 50.00 C ATOM 0 H VAL A 48 0.554 2.226 -8.885 1.00 10.00 H new ATOM 0 HA VAL A 48 1.797 4.558 -9.761 1.00 10.00 H new ATOM 0 HB VAL A 48 1.725 3.198 -7.043 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.400 5.370 -6.096 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.665 4.685 -7.144 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.635 6.008 -7.740 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.020 4.912 -6.548 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.168 5.532 -8.210 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.454 3.889 -7.925 1.00 50.00 H new ATOM 755 N GLU A 49 4.249 4.223 -9.898 1.00 10.00 N ATOM 756 CA GLU A 49 5.675 3.996 -10.095 1.00 10.00 C ATOM 757 C GLU A 49 6.425 4.019 -8.769 1.00 10.00 C ATOM 758 O GLU A 49 6.275 4.948 -7.976 1.00 50.00 O ATOM 759 CB GLU A 49 6.258 5.044 -11.046 1.00 50.00 C ATOM 760 CG GLU A 49 7.724 4.832 -11.394 1.00 50.00 C ATOM 761 CD GLU A 49 8.208 5.864 -12.373 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.422 6.684 -12.781 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.389 5.904 -12.629 1.00 50.00 O ATOM 0 H GLU A 49 3.892 5.070 -10.341 1.00 10.00 H new ATOM 0 HA GLU A 49 5.797 3.008 -10.539 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.675 5.045 -11.967 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.143 6.030 -10.595 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.326 4.878 -10.486 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.859 3.836 -11.816 1.00 50.00 H new ATOM 770 N GLY A 50 7.233 2.991 -8.534 1.00 10.00 N ATOM 771 CA GLY A 50 8.047 2.916 -7.326 1.00 10.00 C ATOM 772 C GLY A 50 7.528 1.842 -6.378 1.00 10.00 C ATOM 773 O GLY A 50 8.283 1.287 -5.581 1.00 50.00 O ATOM 0 H GLY A 50 7.342 2.197 -9.165 1.00 10.00 H new ATOM 0 HA2 GLY A 50 9.081 2.699 -7.594 1.00 10.00 H new ATOM 0 HA3 GLY A 50 8.044 3.882 -6.822 1.00 10.00 H new ATOM 777 N VAL A 51 6.234 1.554 -6.471 1.00 10.00 N ATOM 778 CA VAL A 51 5.618 0.520 -5.647 1.00 10.00 C ATOM 779 C VAL A 51 6.019 -0.870 -6.120 1.00 10.00 C ATOM 780 O VAL A 51 5.906 -1.190 -7.304 1.00 50.00 O ATOM 781 CB VAL A 51 4.082 0.633 -5.653 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.461 -0.516 -4.874 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.643 1.968 -5.073 1.00 50.00 C ATOM 0 H VAL A 51 5.591 2.023 -7.109 1.00 10.00 H new ATOM 0 HA VAL A 51 5.978 0.672 -4.630 1.00 10.00 H new ATOM 0 HB VAL A 51 3.737 0.576 -6.685 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.375 -0.421 -4.888 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.748 -1.463 -5.331 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.814 -0.489 -3.843 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.555 2.030 -5.085 1.00 50.00 H new ATOM 0 HG22 VAL A 51 4.000 2.054 -4.047 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.059 2.779 -5.671 1.00 50.00 H new ATOM 793 N LYS A 52 6.485 -1.695 -5.189 1.00 10.00 N ATOM 794 CA LYS A 52 6.947 -3.038 -5.517 1.00 10.00 C ATOM 795 C LYS A 52 5.835 -4.063 -5.337 1.00 10.00 C ATOM 796 O LYS A 52 5.490 -4.788 -6.269 1.00 50.00 O ATOM 797 CB LYS A 52 8.154 -3.414 -4.655 1.00 50.00 C ATOM 798 CG LYS A 52 8.725 -4.797 -4.941 1.00 50.00 C ATOM 799 CD LYS A 52 9.953 -5.076 -4.087 1.00 50.00 C ATOM 800 CE LYS A 52 10.543 -6.444 -4.397 1.00 50.00 C ATOM 801 NZ LYS A 52 11.790 -6.699 -3.626 1.00 50.00 N ATOM 0 H LYS A 52 6.553 -1.456 -4.200 1.00 10.00 H new ATOM 0 HA LYS A 52 7.246 -3.041 -6.565 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.938 -2.672 -4.806 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.865 -3.363 -3.605 1.00 50.00 H new ATOM 0 HG2 LYS A 52 7.965 -5.554 -4.747 1.00 50.00 H new ATOM 0 HG3 LYS A 52 8.988 -4.873 -5.996 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.704 -4.306 -4.263 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.684 -5.024 -3.032 1.00 50.00 H new ATOM 0 HE2 LYS A 52 9.809 -7.216 -4.166 1.00 50.00 H new ATOM 0 HE3 LYS A 52 10.755 -6.514 -5.464 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.160 -7.641 -3.866 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.500 -5.977 -3.865 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.583 -6.657 -2.608 1.00 50.00 H new ATOM 815 N SER A 53 5.278 -4.119 -4.132 1.00 10.00 N ATOM 816 CA SER A 53 4.177 -5.028 -3.839 1.00 10.00 C ATOM 817 C SER A 53 3.426 -4.599 -2.585 1.00 10.00 C ATOM 818 O SER A 53 3.969 -3.888 -1.738 1.00 50.00 O ATOM 819 CB SER A 53 4.698 -6.444 -3.683 1.00 50.00 C ATOM 820 OG SER A 53 5.499 -6.588 -2.543 1.00 50.00 O ATOM 0 H SER A 53 5.572 -3.545 -3.342 1.00 10.00 H new ATOM 0 HA SER A 53 3.478 -4.995 -4.675 1.00 10.00 H new ATOM 0 HB2 SER A 53 3.857 -7.135 -3.624 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.274 -6.717 -4.567 1.00 50.00 H new ATOM 0 HG SER A 53 6.037 -5.779 -2.417 1.00 50.00 H new ATOM 826 N ILE A 54 2.177 -5.032 -2.473 1.00 10.00 N ATOM 827 CA ILE A 54 1.353 -4.706 -1.315 1.00 10.00 C ATOM 828 C ILE A 54 0.851 -5.966 -0.621 1.00 10.00 C ATOM 829 O ILE A 54 0.318 -6.868 -1.264 1.00 50.00 O ATOM 830 CB ILE A 54 0.148 -3.832 -1.707 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.619 -2.560 -2.418 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.679 -3.482 -0.478 1.00 50.00 C ATOM 833 CD1 ILE A 54 0.591 -2.659 -3.927 1.00 50.00 C ATOM 0 H ILE A 54 1.711 -5.611 -3.171 1.00 10.00 H new ATOM 0 HA ILE A 54 1.987 -4.146 -0.627 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.481 -4.398 -2.394 1.00 50.00 H new ATOM 0 HG12 ILE A 54 -0.010 -1.726 -2.106 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.635 -2.330 -2.097 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.527 -2.864 -0.774 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.043 -4.397 -0.011 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.061 -2.934 0.233 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.938 -1.721 -4.360 1.00 50.00 H new ATOM 0 HD12 ILE A 54 1.243 -3.471 -4.251 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.428 -2.857 -4.260 1.00 50.00 H new ATOM 845 N PHE A 55 1.026 -6.020 0.693 1.00 10.00 N ATOM 846 CA PHE A 55 0.468 -7.102 1.496 1.00 10.00 C ATOM 847 C PHE A 55 -0.581 -6.580 2.470 1.00 10.00 C ATOM 848 O PHE A 55 -0.341 -5.616 3.198 1.00 50.00 O ATOM 849 CB PHE A 55 1.576 -7.831 2.257 1.00 50.00 C ATOM 850 CG PHE A 55 1.073 -8.893 3.193 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.575 -10.089 2.701 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.097 -8.697 4.566 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.109 -11.067 3.561 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.635 -9.673 5.427 1.00 50.00 C ATOM 855 CZ PHE A 55 0.141 -10.860 4.923 1.00 50.00 C ATOM 0 H PHE A 55 1.550 -5.327 1.227 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.016 -7.805 0.818 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.258 -8.286 1.539 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.153 -7.102 2.826 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.550 -10.259 1.635 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.481 -7.771 4.966 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.280 -11.993 3.165 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.660 -9.508 6.494 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.220 -11.625 5.595 1.00 50.00 H new ATOM 865 N HIS A 56 -1.744 -7.222 2.480 1.00 10.00 N ATOM 866 CA HIS A 56 -2.815 -6.853 3.398 1.00 10.00 C ATOM 867 C HIS A 56 -3.019 -7.920 4.465 1.00 10.00 C ATOM 868 O HIS A 56 -3.021 -9.114 4.170 1.00 50.00 O ATOM 869 CB HIS A 56 -4.123 -6.619 2.635 1.00 50.00 C ATOM 870 CG HIS A 56 -5.322 -6.489 3.522 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.056 -7.577 3.945 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.915 -5.400 4.066 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.049 -7.162 4.712 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.986 -5.846 4.800 1.00 50.00 N ATOM 0 H HIS A 56 -1.969 -8.001 1.862 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.522 -5.926 3.892 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.026 -5.714 2.035 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.282 -7.446 1.942 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.604 -4.373 3.945 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.787 -7.792 5.186 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.629 -5.256 5.328 1.00 50.00 H new ATOM 882 N VAL A 57 -3.191 -7.481 5.707 1.00 10.00 N ATOM 883 CA VAL A 57 -3.553 -8.382 6.795 1.00 10.00 C ATOM 884 C VAL A 57 -4.319 -7.647 7.888 1.00 10.00 C ATOM 885 O VAL A 57 -3.870 -6.614 8.385 1.00 50.00 O ATOM 886 CB VAL A 57 -2.311 -9.050 7.413 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.351 -7.998 7.949 1.00 50.00 C ATOM 888 CG2 VAL A 57 -2.717 -10.011 8.520 1.00 50.00 C ATOM 0 H VAL A 57 -3.085 -6.505 5.986 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.192 -9.153 6.364 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.802 -9.617 6.633 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.479 -8.488 8.382 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.034 -7.346 7.135 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.851 -7.405 8.715 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.826 -10.474 8.945 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.249 -9.465 9.299 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.367 -10.784 8.110 1.00 50.00 H new ATOM 898 N MET A 58 -5.476 -8.185 8.256 1.00 10.00 N ATOM 899 CA MET A 58 -6.253 -7.643 9.365 1.00 10.00 C ATOM 900 C MET A 58 -6.611 -6.183 9.125 1.00 10.00 C ATOM 901 O MET A 58 -7.299 -5.853 8.160 1.00 50.00 O ATOM 902 CB MET A 58 -5.479 -7.790 10.675 1.00 50.00 C ATOM 903 CG MET A 58 -5.395 -9.216 11.200 1.00 50.00 C ATOM 904 SD MET A 58 -4.403 -9.347 12.701 1.00 75.00 S ATOM 905 CE MET A 58 -4.471 -11.111 12.998 1.00 75.00 C ATOM 0 H MET A 58 -5.897 -8.996 7.803 1.00 10.00 H new ATOM 0 HA MET A 58 -7.181 -8.210 9.435 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.468 -7.409 10.530 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.950 -7.164 11.433 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.401 -9.585 11.401 1.00 50.00 H new ATOM 0 HG3 MET A 58 -4.968 -9.858 10.430 1.00 50.00 H new ATOM 0 HE1 MET A 58 -3.902 -11.351 13.896 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.508 -11.418 13.133 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.044 -11.640 12.146 1.00 75.00 H new ATOM 915 N ASP A 59 -6.141 -5.311 10.011 1.00 10.00 N ATOM 916 CA ASP A 59 -6.634 -3.940 10.073 1.00 10.00 C ATOM 917 C ASP A 59 -5.551 -2.948 9.671 1.00 10.00 C ATOM 918 O ASP A 59 -5.609 -1.770 10.032 1.00 50.00 O ATOM 919 CB ASP A 59 -7.148 -3.617 11.478 1.00 50.00 C ATOM 920 CG ASP A 59 -6.102 -3.741 12.575 1.00 50.00 C ATOM 921 OD1 ASP A 59 -5.012 -4.175 12.283 1.00 75.00 O ATOM 922 OD2 ASP A 59 -6.341 -3.258 13.656 1.00 50.00 O ATOM 0 H ASP A 59 -5.418 -5.530 10.697 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.459 -3.850 9.366 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -7.542 -2.601 11.482 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -7.980 -4.283 11.709 1.00 50.00 H new ATOM 927 N PHE A 60 -4.563 -3.426 8.924 1.00 10.00 N ATOM 928 CA PHE A 60 -3.519 -2.561 8.386 1.00 10.00 C ATOM 929 C PHE A 60 -2.969 -3.110 7.076 1.00 10.00 C ATOM 930 O PHE A 60 -3.118 -4.297 6.778 1.00 50.00 O ATOM 931 CB PHE A 60 -2.388 -2.392 9.402 1.00 50.00 C ATOM 932 CG PHE A 60 -1.613 -3.653 9.660 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.026 -4.555 10.629 1.00 50.00 C ATOM 934 CD2 PHE A 60 -0.467 -3.940 8.931 1.00 50.00 C ATOM 935 CE1 PHE A 60 -1.314 -5.712 10.868 1.00 50.00 C ATOM 936 CE2 PHE A 60 0.248 -5.099 9.169 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.175 -5.984 10.136 1.00 50.00 C ATOM 0 H PHE A 60 -4.462 -4.410 8.676 1.00 10.00 H new ATOM 0 HA PHE A 60 -3.964 -1.586 8.186 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -1.704 -1.622 9.045 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -2.807 -2.035 10.343 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -2.917 -4.349 11.204 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.131 -3.251 8.170 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -1.647 -6.405 11.627 1.00 50.00 H new ATOM 0 HE2 PHE A 60 1.139 -5.311 8.596 1.00 50.00 H new ATOM 0 HZ PHE A 60 0.383 -6.890 10.322 1.00 50.00 H new ATOM 947 N ILE A 61 -2.334 -2.243 6.297 1.00 10.00 N ATOM 948 CA ILE A 61 -1.738 -2.645 5.029 1.00 10.00 C ATOM 949 C ILE A 61 -0.240 -2.364 5.009 1.00 10.00 C ATOM 950 O ILE A 61 0.204 -1.291 5.419 1.00 50.00 O ATOM 951 CB ILE A 61 -2.401 -1.926 3.839 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.892 -2.268 3.772 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.708 -2.301 2.539 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.672 -1.408 2.803 1.00 50.00 C ATOM 0 H ILE A 61 -2.218 -1.255 6.522 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.904 -3.718 4.932 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.301 -0.850 3.984 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.003 -3.314 3.486 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.325 -2.162 4.767 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.189 -1.784 1.708 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.659 -2.010 2.589 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.779 -3.378 2.386 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.719 -1.709 2.811 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.593 -0.362 3.100 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.266 -1.532 1.799 1.00 50.00 H new ATOM 966 N SER A 62 0.532 -3.333 4.531 1.00 10.00 N ATOM 967 CA SER A 62 1.974 -3.169 4.402 1.00 10.00 C ATOM 968 C SER A 62 2.378 -2.955 2.948 1.00 10.00 C ATOM 969 O SER A 62 2.298 -3.873 2.132 1.00 50.00 O ATOM 970 CB SER A 62 2.689 -4.375 4.977 1.00 50.00 C ATOM 971 OG SER A 62 4.080 -4.284 4.829 1.00 50.00 O ATOM 0 H SER A 62 0.182 -4.241 4.226 1.00 10.00 H new ATOM 0 HA SER A 62 2.266 -2.282 4.964 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.443 -4.471 6.034 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.331 -5.278 4.483 1.00 50.00 H new ATOM 0 HG SER A 62 4.503 -5.080 5.214 1.00 50.00 H new ATOM 977 N VAL A 63 2.809 -1.740 2.632 1.00 10.00 N ATOM 978 CA VAL A 63 3.215 -1.400 1.273 1.00 10.00 C ATOM 979 C VAL A 63 4.724 -1.221 1.177 1.00 10.00 C ATOM 980 O VAL A 63 5.313 -0.429 1.912 1.00 50.00 O ATOM 981 CB VAL A 63 2.522 -0.116 0.782 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.967 0.221 -0.632 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.010 -0.267 0.842 1.00 50.00 C ATOM 0 H VAL A 63 2.887 -0.972 3.299 1.00 10.00 H new ATOM 0 HA VAL A 63 2.911 -2.231 0.637 1.00 10.00 H new ATOM 0 HB VAL A 63 2.811 0.703 1.440 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.467 1.131 -0.963 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.046 0.373 -0.647 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.707 -0.600 -1.301 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.538 0.651 0.491 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.702 -1.099 0.208 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.704 -0.462 1.870 1.00 50.00 H new ATOM 993 N ASP A 64 5.345 -1.962 0.265 1.00 10.00 N ATOM 994 CA ASP A 64 6.795 -1.937 0.119 1.00 10.00 C ATOM 995 C ASP A 64 7.200 -1.460 -1.269 1.00 10.00 C ATOM 996 O ASP A 64 6.522 -1.745 -2.256 1.00 50.00 O ATOM 997 CB ASP A 64 7.386 -3.324 0.390 1.00 50.00 C ATOM 998 CG ASP A 64 6.819 -4.432 -0.488 1.00 50.00 C ATOM 999 OD1 ASP A 64 7.008 -4.372 -1.681 1.00 50.00 O ATOM 1000 OD2 ASP A 64 6.342 -5.402 0.049 1.00 50.00 O ATOM 0 H ASP A 64 4.866 -2.587 -0.384 1.00 10.00 H new ATOM 0 HA ASP A 64 7.191 -1.234 0.852 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.466 -3.280 0.246 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.214 -3.581 1.435 1.00 50.00 H new ATOM 1005 N LYS A 65 8.309 -0.731 -1.339 1.00 10.00 N ATOM 1006 CA LYS A 65 8.733 -0.100 -2.583 1.00 10.00 C ATOM 1007 C LYS A 65 9.990 -0.758 -3.135 1.00 10.00 C ATOM 1008 O LYS A 65 10.527 -1.691 -2.538 1.00 50.00 O ATOM 1009 CB LYS A 65 8.975 1.395 -2.368 1.00 50.00 C ATOM 1010 CG LYS A 65 10.158 1.718 -1.463 1.00 50.00 C ATOM 1011 CD LYS A 65 10.394 3.217 -1.374 1.00 50.00 C ATOM 1012 CE LYS A 65 11.470 3.549 -0.351 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.824 3.141 -0.815 1.00 50.00 N ATOM 0 H LYS A 65 8.931 -0.563 -0.548 1.00 10.00 H new ATOM 0 HA LYS A 65 7.933 -0.230 -3.312 1.00 10.00 H new ATOM 0 HB2 LYS A 65 9.135 1.868 -3.337 1.00 50.00 H new ATOM 0 HB3 LYS A 65 8.075 1.839 -1.942 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.976 1.317 -0.466 1.00 50.00 H new ATOM 0 HG3 LYS A 65 11.054 1.229 -1.844 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.689 3.599 -2.351 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.465 3.718 -1.103 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.463 4.621 -0.152 1.00 50.00 H new ATOM 0 HE3 LYS A 65 11.243 3.048 0.590 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.532 3.415 -0.104 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.849 2.110 -0.949 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 13.038 3.612 -1.717 1.00 50.00 H new ATOM 1027 N GLU A 66 10.454 -0.270 -4.280 1.00 10.00 N ATOM 1028 CA GLU A 66 11.739 -0.687 -4.826 1.00 10.00 C ATOM 1029 C GLU A 66 12.882 0.121 -4.229 1.00 10.00 C ATOM 1030 O GLU A 66 12.667 1.196 -3.667 1.00 50.00 O ATOM 1031 CB GLU A 66 11.742 -0.555 -6.351 1.00 50.00 C ATOM 1032 CG GLU A 66 10.753 -1.467 -7.063 1.00 50.00 C ATOM 1033 CD GLU A 66 10.889 -1.361 -8.557 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.649 -0.535 -9.007 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.324 -2.177 -9.244 1.00 50.00 O ATOM 0 H GLU A 66 9.958 0.416 -4.849 1.00 10.00 H new ATOM 0 HA GLU A 66 11.888 -1.734 -4.560 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.519 0.479 -6.614 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.745 -0.769 -6.720 1.00 50.00 H new ATOM 0 HG2 GLU A 66 10.919 -2.499 -6.753 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.737 -1.205 -6.769 1.00 50.00 H new ATOM 1042 N ASN A 67 14.098 -0.397 -4.352 1.00 10.00 N ATOM 1043 CA ASN A 67 15.266 0.231 -3.747 1.00 10.00 C ATOM 1044 C ASN A 67 15.515 1.613 -4.336 1.00 10.00 C ATOM 1045 O ASN A 67 15.868 2.550 -3.619 1.00 50.00 O ATOM 1046 CB ASN A 67 16.504 -0.634 -3.900 1.00 50.00 C ATOM 1047 CG ASN A 67 16.505 -1.848 -3.015 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.791 -1.910 -2.008 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.362 -2.782 -3.340 1.00 50.00 N ATOM 0 H ASN A 67 14.301 -1.254 -4.867 1.00 10.00 H new ATOM 0 HA ASN A 67 15.056 0.341 -2.683 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.588 -0.953 -4.939 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.386 -0.033 -3.679 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.463 -3.609 -2.751 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.929 -2.683 -4.182 1.00 50.00 H new ATOM 1056 N ASP A 68 15.326 1.736 -5.646 1.00 10.00 N ATOM 1057 CA ASP A 68 15.524 3.006 -6.333 1.00 10.00 C ATOM 1058 C ASP A 68 14.464 4.022 -5.926 1.00 10.00 C ATOM 1059 O ASP A 68 14.761 5.203 -5.743 1.00 50.00 O ATOM 1060 CB ASP A 68 15.504 2.804 -7.851 1.00 50.00 C ATOM 1061 CG ASP A 68 16.742 2.118 -8.411 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.712 2.010 -7.696 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.661 1.573 -9.485 1.00 50.00 O ATOM 0 H ASP A 68 15.035 0.970 -6.253 1.00 10.00 H new ATOM 0 HA ASP A 68 16.500 3.395 -6.041 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.626 2.214 -8.115 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.392 3.775 -8.333 1.00 50.00 H new ATOM 1068 N ALA A 69 13.227 3.556 -5.786 1.00 10.00 N ATOM 1069 CA ALA A 69 12.107 4.438 -5.481 1.00 10.00 C ATOM 1070 C ALA A 69 12.274 5.089 -4.115 1.00 10.00 C ATOM 1071 O ALA A 69 13.029 4.603 -3.273 1.00 50.00 O ATOM 1072 CB ALA A 69 10.796 3.670 -5.550 1.00 50.00 C ATOM 0 H ALA A 69 12.975 2.572 -5.879 1.00 10.00 H new ATOM 0 HA ALA A 69 12.088 5.231 -6.228 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.969 4.341 -5.320 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.665 3.263 -6.553 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.813 2.855 -4.827 1.00 50.00 H new ATOM 1078 N ASN A 70 11.565 6.192 -3.899 1.00 10.00 N ATOM 1079 CA ASN A 70 11.517 6.829 -2.589 1.00 10.00 C ATOM 1080 C ASN A 70 10.079 7.039 -2.131 1.00 10.00 C ATOM 1081 O ASN A 70 9.179 7.226 -2.949 1.00 50.00 O ATOM 1082 CB ASN A 70 12.267 8.148 -2.584 1.00 50.00 C ATOM 1083 CG ASN A 70 13.741 8.007 -2.850 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.499 7.515 -2.008 1.00 50.00 O ATOM 1085 ND2 ASN A 70 14.161 8.509 -3.983 1.00 50.00 N ATOM 0 H ASN A 70 11.015 6.664 -4.617 1.00 10.00 H new ATOM 0 HA ASN A 70 12.009 6.156 -1.887 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.832 8.806 -3.337 1.00 50.00 H new ATOM 0 HB3 ASN A 70 12.126 8.632 -1.618 1.00 50.00 H new ATOM 0 HD21 ASN A 70 15.157 8.506 -4.204 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.493 8.904 -4.645 1.00 50.00 H new ATOM 1092 N TRP A 71 9.871 7.009 -0.820 1.00 10.00 N ATOM 1093 CA TRP A 71 8.536 7.160 -0.252 1.00 10.00 C ATOM 1094 C TRP A 71 8.015 8.579 -0.437 1.00 10.00 C ATOM 1095 O TRP A 71 6.807 8.806 -0.497 1.00 50.00 O ATOM 1096 CB TRP A 71 8.544 6.794 1.233 1.00 50.00 C ATOM 1097 CG TRP A 71 8.594 5.318 1.485 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.488 4.656 2.272 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.713 4.323 0.950 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.221 3.308 2.261 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.133 3.079 1.456 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.609 4.363 0.093 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.495 1.892 1.133 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.967 3.173 -0.230 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.397 1.973 0.278 1.00 50.00 C ATOM 0 H TRP A 71 10.611 6.881 -0.129 1.00 10.00 H new ATOM 0 HA TRP A 71 7.869 6.481 -0.783 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.403 7.265 1.710 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.652 7.205 1.705 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.290 5.123 2.824 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.745 2.595 2.768 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.261 5.302 -0.311 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.834 0.945 1.527 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 5.114 3.193 -0.893 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.872 1.069 0.009 1.00 50.00 H new ATOM 1116 N GLU A 72 8.936 9.534 -0.529 1.00 10.00 N ATOM 1117 CA GLU A 72 8.573 10.927 -0.760 1.00 10.00 C ATOM 1118 C GLU A 72 7.764 11.081 -2.041 1.00 10.00 C ATOM 1119 O GLU A 72 6.855 11.908 -2.116 1.00 50.00 O ATOM 1120 CB GLU A 72 9.828 11.803 -0.822 1.00 50.00 C ATOM 1121 CG GLU A 72 10.534 11.986 0.515 1.00 50.00 C ATOM 1122 CD GLU A 72 11.809 12.766 0.356 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.153 13.086 -0.757 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.381 13.140 1.352 1.00 75.00 O ATOM 0 H GLU A 72 9.939 9.368 -0.447 1.00 10.00 H new ATOM 0 HA GLU A 72 7.953 11.253 0.075 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.529 11.363 -1.532 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.553 12.783 -1.211 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.873 12.503 1.210 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.753 11.011 0.950 1.00 50.00 H new ATOM 1131 N THR A 73 8.099 10.281 -3.047 1.00 10.00 N ATOM 1132 CA THR A 73 7.343 10.257 -4.292 1.00 10.00 C ATOM 1133 C THR A 73 6.110 9.369 -4.169 1.00 10.00 C ATOM 1134 O THR A 73 5.001 9.777 -4.521 1.00 50.00 O ATOM 1135 CB THR A 73 8.204 9.762 -5.469 1.00 50.00 C ATOM 1136 OG1 THR A 73 9.318 10.645 -5.653 1.00 50.00 O ATOM 1137 CG2 THR A 73 7.382 9.715 -6.749 1.00 50.00 C ATOM 0 H THR A 73 8.891 9.639 -3.024 1.00 10.00 H new ATOM 0 HA THR A 73 7.032 11.283 -4.490 1.00 10.00 H new ATOM 0 HB THR A 73 8.561 8.757 -5.242 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.866 10.328 -6.401 1.00 50.00 H new ATOM 0 HG21 THR A 73 8.007 9.363 -7.570 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.540 9.035 -6.616 1.00 50.00 H new ATOM 0 HG23 THR A 73 7.009 10.713 -6.979 1.00 50.00 H new ATOM 1145 N VAL A 74 6.309 8.154 -3.671 1.00 10.00 N ATOM 1146 CA VAL A 74 5.298 7.108 -3.776 1.00 10.00 C ATOM 1147 C VAL A 74 4.079 7.434 -2.924 1.00 10.00 C ATOM 1148 O VAL A 74 2.944 7.379 -3.398 1.00 50.00 O ATOM 1149 CB VAL A 74 5.858 5.738 -3.352 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.738 4.712 -3.254 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.924 5.270 -4.332 1.00 50.00 C ATOM 0 H VAL A 74 7.162 7.869 -3.190 1.00 10.00 H new ATOM 0 HA VAL A 74 5.002 7.060 -4.824 1.00 10.00 H new ATOM 0 HB VAL A 74 6.317 5.844 -2.369 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.152 3.749 -2.953 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.008 5.040 -2.514 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.252 4.611 -4.224 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.308 4.300 -4.016 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.489 5.181 -5.328 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.739 5.993 -4.355 1.00 50.00 H new ATOM 1161 N LEU A 75 4.319 7.773 -1.661 1.00 10.00 N ATOM 1162 CA LEU A 75 3.267 7.760 -0.651 1.00 10.00 C ATOM 1163 C LEU A 75 2.153 8.734 -1.005 1.00 50.00 C ATOM 1164 O LEU A 75 0.972 8.396 -0.922 1.00 50.00 O ATOM 1165 CB LEU A 75 3.853 8.097 0.726 1.00 50.00 C ATOM 1166 CG LEU A 75 4.612 6.952 1.411 1.00 50.00 C ATOM 1167 CD1 LEU A 75 5.193 7.431 2.734 1.00 50.00 C ATOM 1168 CD2 LEU A 75 3.672 5.776 1.628 1.00 50.00 C ATOM 0 H LEU A 75 5.234 8.060 -1.313 1.00 10.00 H new ATOM 0 HA LEU A 75 2.839 6.758 -0.619 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.528 8.946 0.618 1.00 50.00 H new ATOM 0 HB3 LEU A 75 3.042 8.416 1.380 1.00 50.00 H new ATOM 0 HG LEU A 75 5.435 6.628 0.774 1.00 50.00 H new ATOM 0 HD11 LEU A 75 5.730 6.612 3.213 1.00 50.00 H new ATOM 0 HD12 LEU A 75 5.880 8.258 2.552 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.386 7.766 3.386 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.212 4.964 2.114 1.00 50.00 H new ATOM 0 HD22 LEU A 75 2.839 6.087 2.259 1.00 50.00 H new ATOM 0 HD23 LEU A 75 3.290 5.433 0.666 1.00 50.00 H new ATOM 1180 N PRO A 76 2.532 9.945 -1.401 1.00 50.00 N ATOM 1181 CA PRO A 76 1.567 10.947 -1.834 1.00 50.00 C ATOM 1182 C PRO A 76 0.544 10.350 -2.789 1.00 50.00 C ATOM 1183 O PRO A 76 -0.654 10.605 -2.670 1.00 50.00 O ATOM 1184 CB PRO A 76 2.424 12.025 -2.506 1.00 50.00 C ATOM 1185 CG PRO A 76 3.715 11.990 -1.763 1.00 50.00 C ATOM 1186 CD PRO A 76 3.962 10.537 -1.459 1.00 50.00 C ATOM 0 HA PRO A 76 0.979 11.351 -1.010 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.570 11.813 -3.565 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.953 13.006 -2.439 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.524 12.409 -2.361 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.657 12.579 -0.847 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.565 10.060 -2.231 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.491 10.406 -0.515 1.00 50.00 H new ATOM 1194 N LYS A 77 1.023 9.552 -3.739 1.00 50.00 N ATOM 1195 CA LYS A 77 0.149 8.915 -4.717 1.00 50.00 C ATOM 1196 C LYS A 77 -0.671 7.799 -4.078 1.00 50.00 C ATOM 1197 O LYS A 77 -1.875 7.692 -4.308 1.00 50.00 O ATOM 1198 CB LYS A 77 0.966 8.364 -5.886 1.00 50.00 C ATOM 1199 CG LYS A 77 1.583 9.431 -6.780 1.00 50.00 C ATOM 1200 CD LYS A 77 2.375 8.808 -7.920 1.00 50.00 C ATOM 1201 CE LYS A 77 2.962 9.873 -8.833 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.713 9.278 -9.971 1.00 50.00 N ATOM 0 H LYS A 77 2.012 9.331 -3.852 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.540 9.672 -5.093 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.762 7.733 -5.491 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.324 7.725 -6.493 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.797 10.067 -7.186 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.237 10.071 -6.188 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.177 8.192 -7.514 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.727 8.148 -8.497 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.160 10.503 -9.218 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.626 10.518 -8.258 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 4.097 10.038 -10.569 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.494 8.697 -9.605 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 3.074 8.683 -10.535 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.009 6.969 -3.278 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.661 5.825 -2.655 1.00 50.00 C ATOM 1218 C VAL A 78 -1.838 6.264 -1.792 1.00 50.00 C ATOM 1219 O VAL A 78 -2.962 5.797 -1.976 1.00 50.00 O ATOM 1220 CB VAL A 78 0.324 5.017 -1.788 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.419 3.966 -0.976 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.386 4.362 -2.658 1.00 50.00 C ATOM 0 H VAL A 78 0.979 7.068 -3.046 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.024 5.191 -3.464 1.00 50.00 H new ATOM 0 HB VAL A 78 0.817 5.702 -1.098 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.292 3.405 -0.370 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.144 4.455 -0.325 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -0.938 3.285 -1.650 1.00 50.00 H new ATOM 0 HG21 VAL A 78 2.073 3.796 -2.029 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.909 3.690 -3.371 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.939 5.131 -3.198 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.573 7.162 -0.850 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.614 7.677 0.032 1.00 50.00 C ATOM 1234 C GLU A 79 -3.735 8.334 -0.763 1.00 50.00 C ATOM 1235 O GLU A 79 -4.911 8.197 -0.425 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.024 8.676 1.029 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.930 8.994 2.209 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.345 10.082 3.069 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.265 10.531 2.772 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -3.026 10.541 3.955 1.00 50.00 O ATOM 0 H GLU A 79 -0.645 7.549 -0.677 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.033 6.833 0.580 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.081 8.280 1.407 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.793 9.603 0.503 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.910 9.302 1.845 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.080 8.096 2.807 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.365 9.045 -1.822 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.343 9.666 -2.708 1.00 50.00 C ATOM 1249 C ALA A 80 -5.325 8.637 -3.251 1.00 50.00 C ATOM 1250 O ALA A 80 -6.526 8.894 -3.336 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.641 10.388 -3.849 1.00 50.00 C ATOM 0 H ALA A 80 -2.394 9.206 -2.088 1.00 50.00 H new ATOM 0 HA ALA A 80 -4.909 10.395 -2.128 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.384 10.846 -4.502 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -2.988 11.161 -3.444 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.047 9.675 -4.420 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.808 7.469 -3.618 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.647 6.373 -4.089 1.00 50.00 C ATOM 1259 C VAL A 81 -6.645 5.946 -3.020 1.00 50.00 C ATOM 1260 O VAL A 81 -7.829 5.761 -3.303 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.803 5.155 -4.505 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.698 3.952 -4.768 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -3.973 5.477 -5.739 1.00 50.00 C ATOM 0 H VAL A 81 -3.810 7.257 -3.598 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.188 6.743 -4.960 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.125 4.911 -3.687 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.085 3.100 -5.061 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.252 3.706 -3.862 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.398 4.188 -5.569 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.383 4.604 -6.018 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.635 5.746 -6.562 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.306 6.311 -5.521 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.161 5.792 -1.794 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.018 5.433 -0.671 1.00 50.00 C ATOM 1275 C PHE A 82 -8.136 6.450 -0.482 1.00 50.00 C ATOM 1276 O PHE A 82 -9.225 6.113 -0.019 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.195 5.311 0.612 1.00 50.00 C ATOM 1278 CG PHE A 82 -5.267 4.131 0.627 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.694 2.890 0.178 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -3.967 4.257 1.093 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.839 1.803 0.191 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.112 3.173 1.107 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.549 1.945 0.655 1.00 50.00 C ATOM 0 H PHE A 82 -5.177 5.910 -1.552 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.472 4.467 -0.894 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -5.612 6.222 0.746 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.873 5.239 1.462 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.704 2.771 -0.185 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.619 5.215 1.449 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -5.182 0.842 -0.163 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.102 3.286 1.472 1.00 50.00 H new ATOM 0 HZ PHE A 82 -2.881 1.096 0.665 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.860 7.699 -0.845 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.786 8.794 -0.587 1.00 50.00 C ATOM 1295 C GLU A 83 -9.766 8.971 -1.739 1.00 50.00 C ATOM 1296 O GLU A 83 -10.615 9.862 -1.714 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.020 10.097 -0.344 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.214 10.121 0.945 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.430 11.396 1.078 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.505 12.211 0.189 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -5.848 11.609 2.115 1.00 75.00 O ATOM 0 H GLU A 83 -7.001 7.977 -1.319 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.355 8.544 0.309 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.346 10.270 -1.183 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.730 10.924 -0.330 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.885 10.014 1.797 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.533 9.270 0.966 1.00 50.00 H new ATOM 1308 N LEU A 84 -9.644 8.116 -2.749 1.00 50.00 N ATOM 1309 CA LEU A 84 -10.549 8.147 -3.892 1.00 75.00 C ATOM 1310 C LEU A 84 -11.966 7.767 -3.484 1.00 75.00 C ATOM 1311 O LEU A 84 -12.938 8.195 -4.105 1.00 75.00 O ATOM 1312 CB LEU A 84 -10.041 7.210 -4.995 1.00 75.00 C ATOM 1313 CG LEU A 84 -8.752 7.660 -5.694 1.00 75.00 C ATOM 1314 CD1 LEU A 84 -8.290 6.592 -6.676 1.00 75.00 C ATOM 1315 CD2 LEU A 84 -8.996 8.981 -6.408 1.00 75.00 C ATOM 0 H LEU A 84 -8.927 7.393 -2.799 1.00 50.00 H new ATOM 0 HA LEU A 84 -10.574 9.167 -4.277 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -9.875 6.223 -4.563 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -10.823 7.102 -5.746 1.00 75.00 H new ATOM 0 HG LEU A 84 -7.966 7.802 -4.952 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -7.374 6.921 -7.167 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -8.100 5.662 -6.140 1.00 75.00 H new ATOM 0 HD13 LEU A 84 -9.064 6.427 -7.425 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -8.080 9.301 -6.905 1.00 75.00 H new ATOM 0 HD22 LEU A 84 -9.785 8.854 -7.149 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -9.298 9.736 -5.683 1.00 75.00 H new ATOM 1327 N GLU A 85 -12.078 6.957 -2.436 1.00 75.00 N ATOM 1328 CA GLU A 85 -13.370 6.448 -1.995 1.00 75.00 C ATOM 1329 C GLU A 85 -14.090 5.723 -3.125 1.00 75.00 C ATOM 1330 O GLU A 85 -15.317 5.763 -3.219 1.00 75.00 O ATOM 1331 CB GLU A 85 -14.242 7.586 -1.461 1.00 75.00 C ATOM 1332 CG GLU A 85 -13.653 8.319 -0.263 1.00 75.00 C ATOM 1333 CD GLU A 85 -14.578 9.398 0.226 1.00 75.00 C ATOM 1334 OE1 GLU A 85 -15.619 9.574 -0.362 1.00 75.00 O ATOM 1335 OE2 GLU A 85 -14.302 9.969 1.254 1.00 75.00 O ATOM 0 H GLU A 85 -11.287 6.639 -1.876 1.00 75.00 H new ATOM 0 HA GLU A 85 -13.190 5.734 -1.191 1.00 75.00 H new ATOM 0 HB2 GLU A 85 -14.413 8.304 -2.263 1.00 75.00 H new ATOM 0 HB3 GLU A 85 -15.215 7.182 -1.182 1.00 75.00 H new ATOM 0 HG2 GLU A 85 -13.461 7.609 0.542 1.00 75.00 H new ATOM 0 HG3 GLU A 85 -12.693 8.757 -0.538 1.00 75.00 H new ATOM 1342 N HIS A 86 -13.321 5.061 -3.982 1.00 75.00 N ATOM 1343 CA HIS A 86 -13.888 4.257 -5.058 1.00 75.00 C ATOM 1344 C HIS A 86 -14.233 2.854 -4.574 1.00 75.00 C ATOM 1345 O HIS A 86 -13.568 2.310 -3.694 1.00 75.00 O ATOM 1346 CB HIS A 86 -12.921 4.178 -6.243 1.00 75.00 C ATOM 1347 CG HIS A 86 -13.523 3.573 -7.473 1.00 75.00 C ATOM 1348 ND1 HIS A 86 -13.589 2.211 -7.676 1.00 75.00 N ATOM 1349 CD2 HIS A 86 -14.085 4.144 -8.564 1.00 75.00 C ATOM 1350 CE1 HIS A 86 -14.169 1.970 -8.839 1.00 75.00 C ATOM 1351 NE2 HIS A 86 -14.478 3.127 -9.397 1.00 75.00 N ATOM 0 H HIS A 86 -12.301 5.065 -3.952 1.00 75.00 H new ATOM 0 HA HIS A 86 -14.807 4.744 -5.384 1.00 75.00 H new ATOM 0 HB2 HIS A 86 -12.567 5.182 -6.479 1.00 75.00 H new ATOM 0 HB3 HIS A 86 -12.049 3.593 -5.951 1.00 75.00 H new ATOM 0 HD1 HIS A 86 -13.244 1.501 -7.030 1.00 75.00 H new ATOM 0 HD2 HIS A 86 -14.202 5.202 -8.745 1.00 75.00 H new ATOM 0 HE1 HIS A 86 -14.358 0.994 -9.261 1.00 75.00 H new ATOM 1359 N HIS A 87 -15.278 2.274 -5.154 1.00 75.00 N ATOM 1360 CA HIS A 87 -15.683 0.914 -4.821 1.00 75.00 C ATOM 1361 C HIS A 87 -14.522 -0.058 -4.975 1.00 75.00 C ATOM 1362 O HIS A 87 -13.793 -0.018 -5.967 1.00 75.00 O ATOM 1363 CB HIS A 87 -16.859 0.469 -5.695 1.00 75.00 C ATOM 1364 CG HIS A 87 -17.471 -0.828 -5.268 1.00 75.00 C ATOM 1365 ND1 HIS A 87 -16.878 -2.047 -5.520 1.00 75.00 N ATOM 1366 CD2 HIS A 87 -18.619 -1.097 -4.605 1.00 75.00 C ATOM 1367 CE1 HIS A 87 -17.638 -3.011 -5.030 1.00 75.00 C ATOM 1368 NE2 HIS A 87 -18.699 -2.461 -4.470 1.00 75.00 N ATOM 0 H HIS A 87 -15.861 2.726 -5.859 1.00 75.00 H new ATOM 0 HA HIS A 87 -15.999 0.910 -3.778 1.00 75.00 H new ATOM 0 HB2 HIS A 87 -17.625 1.244 -5.679 1.00 75.00 H new ATOM 0 HB3 HIS A 87 -16.519 0.378 -6.727 1.00 75.00 H new ATOM 0 HD2 HIS A 87 -19.338 -0.374 -4.249 1.00 75.00 H new ATOM 0 HE1 HIS A 87 -17.427 -4.069 -5.079 1.00 75.00 H new ATOM 0 HE2 HIS A 87 -19.456 -2.967 -4.011 1.00 75.00 H new ATOM 1376 N HIS A 88 -14.355 -0.933 -3.990 1.00 75.00 N ATOM 1377 CA HIS A 88 -13.279 -1.917 -4.013 1.00 75.00 C ATOM 1378 C HIS A 88 -13.606 -3.113 -3.129 1.00 75.00 C ATOM 1379 O HIS A 88 -14.512 -3.053 -2.296 1.00 75.00 O ATOM 1380 CB HIS A 88 -11.957 -1.284 -3.569 1.00 75.00 C ATOM 1381 CG HIS A 88 -11.972 -0.788 -2.156 1.00 75.00 C ATOM 1382 ND1 HIS A 88 -12.530 0.421 -1.799 1.00 75.00 N ATOM 1383 CD2 HIS A 88 -11.499 -1.337 -1.013 1.00 75.00 C ATOM 1384 CE1 HIS A 88 -12.400 0.596 -0.495 1.00 75.00 C ATOM 1385 NE2 HIS A 88 -11.777 -0.457 0.005 1.00 75.00 N ATOM 0 H HIS A 88 -14.952 -0.981 -3.164 1.00 75.00 H new ATOM 0 HA HIS A 88 -13.175 -2.268 -5.040 1.00 75.00 H new ATOM 0 HB2 HIS A 88 -11.158 -2.017 -3.679 1.00 75.00 H new ATOM 0 HB3 HIS A 88 -11.721 -0.453 -4.234 1.00 75.00 H new ATOM 0 HD1 HIS A 88 -12.974 1.078 -2.441 1.00 75.00 H new ATOM 0 HD2 HIS A 88 -10.997 -2.289 -0.919 1.00 75.00 H new ATOM 0 HE1 HIS A 88 -12.744 1.453 0.066 1.00 75.00 H new ATOM 1393 N HIS A 89 -12.866 -4.201 -3.314 1.00 75.00 N ATOM 1394 CA HIS A 89 -13.055 -5.402 -2.510 1.00 75.00 C ATOM 1395 C HIS A 89 -11.820 -6.294 -2.554 1.00 75.00 C ATOM 1396 O HIS A 89 -10.938 -6.107 -3.392 1.00 75.00 O ATOM 1397 CB HIS A 89 -14.282 -6.185 -2.985 1.00 75.00 C ATOM 1398 CG HIS A 89 -14.122 -6.786 -4.349 1.00 75.00 C ATOM 1399 ND1 HIS A 89 -13.513 -8.005 -4.556 1.00 75.00 N ATOM 1400 CD2 HIS A 89 -14.490 -6.334 -5.571 1.00 75.00 C ATOM 1401 CE1 HIS A 89 -13.515 -8.279 -5.849 1.00 75.00 C ATOM 1402 NE2 HIS A 89 -14.101 -7.281 -6.486 1.00 75.00 N ATOM 0 H HIS A 89 -12.129 -4.275 -4.015 1.00 75.00 H new ATOM 0 HA HIS A 89 -13.215 -5.086 -1.479 1.00 75.00 H new ATOM 0 HB2 HIS A 89 -14.494 -6.980 -2.270 1.00 75.00 H new ATOM 0 HB3 HIS A 89 -15.146 -5.521 -2.989 1.00 75.00 H new ATOM 0 HD1 HIS A 89 -13.122 -8.601 -3.827 1.00 75.00 H new ATOM 0 HD2 HIS A 89 -14.995 -5.404 -5.786 1.00 75.00 H new ATOM 0 HE1 HIS A 89 -13.107 -9.168 -6.307 1.00 75.00 H new ATOM 1410 N HIS A 90 -11.763 -7.262 -1.647 1.00 75.00 N ATOM 1411 CA HIS A 90 -10.659 -8.214 -1.609 1.00 75.00 C ATOM 1412 C HIS A 90 -11.036 -9.520 -2.296 1.00 75.00 C ATOM 1413 O HIS A 90 -12.192 -9.729 -2.665 1.00 75.00 O ATOM 1414 CB HIS A 90 -10.228 -8.488 -0.165 1.00 75.00 C ATOM 1415 CG HIS A 90 -9.722 -7.275 0.551 1.00 75.00 C ATOM 1416 ND1 HIS A 90 -8.429 -6.814 0.410 1.00 75.00 N ATOM 1417 CD2 HIS A 90 -10.332 -6.428 1.412 1.00 75.00 C ATOM 1418 CE1 HIS A 90 -8.267 -5.735 1.156 1.00 75.00 C ATOM 1419 NE2 HIS A 90 -9.406 -5.480 1.774 1.00 75.00 N ATOM 0 H HIS A 90 -12.470 -7.409 -0.926 1.00 75.00 H new ATOM 0 HA HIS A 90 -9.822 -7.770 -2.148 1.00 75.00 H new ATOM 0 HB2 HIS A 90 -11.074 -8.898 0.386 1.00 75.00 H new ATOM 0 HB3 HIS A 90 -9.449 -9.250 -0.166 1.00 75.00 H new ATOM 0 HD1 HIS A 90 -7.711 -7.239 -0.177 1.00 75.00 H new ATOM 0 HD2 HIS A 90 -11.356 -6.486 1.751 1.00 75.00 H new ATOM 0 HE1 HIS A 90 -7.357 -5.159 1.245 1.00 75.00 H new ATOM 1427 N HIS A 91 -10.053 -10.399 -2.466 1.00 75.00 N ATOM 1428 CA HIS A 91 -10.280 -11.688 -3.108 1.00 75.00 C ATOM 1429 C HIS A 91 -11.338 -12.494 -2.367 1.00 75.00 C ATOM 1430 O HIS A 91 -12.502 -12.260 -2.538 1.00 75.00 O ATOM 1431 CB HIS A 91 -8.976 -12.487 -3.194 1.00 75.00 C ATOM 1432 CG HIS A 91 -9.064 -13.689 -4.081 1.00 75.00 C ATOM 1433 ND1 HIS A 91 -9.726 -14.842 -3.710 1.00 75.00 N ATOM 1434 CD2 HIS A 91 -8.573 -13.921 -5.320 1.00 75.00 C ATOM 1435 CE1 HIS A 91 -9.640 -15.727 -4.686 1.00 75.00 C ATOM 1436 NE2 HIS A 91 -8.945 -15.195 -5.674 1.00 75.00 N ATOM 1437 OXT HIS A 91 -11.007 -13.365 -1.611 1.00 75.00 O ATOM 0 H HIS A 91 -9.091 -10.241 -2.167 1.00 75.00 H new ATOM 0 HA HIS A 91 -10.642 -11.495 -4.118 1.00 75.00 H new ATOM 0 HB2 HIS A 91 -8.184 -11.834 -3.560 1.00 75.00 H new ATOM 0 HB3 HIS A 91 -8.689 -12.806 -2.192 1.00 75.00 H new ATOM 0 HD1 HIS A 91 -10.206 -14.987 -2.822 1.00 75.00 H new ATOM 0 HD2 HIS A 91 -7.996 -13.233 -5.919 1.00 75.00 H new ATOM 0 HE1 HIS A 91 -10.067 -16.719 -4.677 1.00 75.00 H new TER 1445 HIS A 91