USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 842 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 29 LYS NZ :NH3+ 151:sc= -0.86 (180deg=-1.73) USER MOD Set 1.2: A 74 CYS SG : rot -23:sc= -0.923 USER MOD Single : A 1 SER N :NH3+ 161:sc= -0.0113 (180deg=-0.268) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 6 LYS NZ :NH3+ -109:sc= 0.494 (180deg=-1.04!) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 8 LYS NZ :NH3+ -139:sc= -0.603 (180deg=-2.62!) USER MOD Single : A 10 MET CE :methyl -127:sc= -6.65! (180deg=-13.8!) USER MOD Single : A 11 SER OG : rot 100:sc= 1.24 USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00949 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.23 (180deg=-0.187) USER MOD Single : A 17 GLN : amide:sc= 0.497 K(o=0.5,f=-0.63) USER MOD Single : A 19 SER OG : rot 74:sc= 1 USER MOD Single : A 23 ASN : amide:sc= -3.72! C(o=-3.7!,f=-8.2!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0111) USER MOD Single : A 35 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.47 K(o=-0.47,f=-4.2!) USER MOD Single : A 39 SER OG : rot -50:sc= 1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= -0.581 (180deg=-2.49!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.9!) USER MOD Single : A 58 THR OG1 : rot -179:sc= -2.11! USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= -0.0861 (180deg=-0.426) USER MOD Single : A 62 SER OG : rot -150:sc= -0.681 USER MOD Single : A 63 THR OG1 : rot 159:sc= 0.317 USER MOD Single : A 70 TYR OH : rot -22:sc= 1.05 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 73 SER OG : rot -51:sc= 1.2 USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0844) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.116) USER MOD Single : A 80 LYS NZ :NH3+ -134:sc= 1.27 (180deg=-0.523) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 201 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.02 USER MOD Single : B 208 LYS NZ :NH3+ 169:sc=-0.00298 (180deg=-0.105) USER MOD Single : B 210 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 213 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.460 4.365 7.821 1.00 0.00 N ATOM 2 CA SER A 1 -22.166 3.657 7.715 1.00 0.00 C ATOM 3 C SER A 1 -21.886 3.260 6.267 1.00 0.00 C ATOM 4 O SER A 1 -21.119 2.333 6.000 1.00 0.00 O ATOM 5 CB SER A 1 -22.197 2.406 8.602 1.00 0.00 C ATOM 6 OG SER A 1 -22.594 2.731 9.927 1.00 0.00 O ATOM 0 H1 SER A 1 -23.788 4.343 8.808 1.00 0.00 H new ATOM 0 H2 SER A 1 -23.341 5.353 7.518 1.00 0.00 H new ATOM 0 H3 SER A 1 -24.162 3.898 7.212 1.00 0.00 H new ATOM 0 HA SER A 1 -21.371 4.324 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 1 -22.887 1.674 8.181 1.00 0.00 H new ATOM 0 HB3 SER A 1 -21.211 1.942 8.617 1.00 0.00 H new ATOM 0 HG SER A 1 -22.608 1.917 10.473 1.00 0.00 H new ATOM 14 N GLU A 2 -22.509 3.964 5.335 1.00 0.00 N ATOM 15 CA GLU A 2 -22.394 3.631 3.924 1.00 0.00 C ATOM 16 C GLU A 2 -21.328 4.475 3.220 1.00 0.00 C ATOM 17 O GLU A 2 -21.103 4.326 2.014 1.00 0.00 O ATOM 18 CB GLU A 2 -23.751 3.832 3.269 1.00 0.00 C ATOM 19 CG GLU A 2 -24.850 3.048 3.958 1.00 0.00 C ATOM 20 CD GLU A 2 -26.230 3.469 3.517 1.00 0.00 C ATOM 21 OE1 GLU A 2 -26.807 4.374 4.156 1.00 0.00 O ATOM 22 OE2 GLU A 2 -26.750 2.894 2.541 1.00 0.00 O ATOM 0 H GLU A 2 -23.101 4.771 5.531 1.00 0.00 H new ATOM 0 HA GLU A 2 -22.080 2.591 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.003 4.892 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -23.694 3.530 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.716 1.986 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.762 3.178 5.037 1.00 0.00 H new ATOM 29 N GLU A 3 -20.652 5.336 3.975 1.00 0.00 N ATOM 30 CA GLU A 3 -19.678 6.256 3.407 1.00 0.00 C ATOM 31 C GLU A 3 -18.463 5.487 2.903 1.00 0.00 C ATOM 32 O GLU A 3 -17.996 5.695 1.784 1.00 0.00 O ATOM 33 CB GLU A 3 -19.243 7.278 4.464 1.00 0.00 C ATOM 34 CG GLU A 3 -18.616 8.535 3.888 1.00 0.00 C ATOM 35 CD GLU A 3 -19.595 9.334 3.059 1.00 0.00 C ATOM 36 OE1 GLU A 3 -19.462 9.343 1.817 1.00 0.00 O ATOM 37 OE2 GLU A 3 -20.515 9.945 3.643 1.00 0.00 O ATOM 0 H GLU A 3 -20.763 5.414 4.986 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.138 6.782 2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.110 7.558 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.530 6.805 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.239 9.156 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.759 8.262 3.272 1.00 0.00 H new ATOM 44 N GLU A 4 -17.980 4.577 3.737 1.00 0.00 N ATOM 45 CA GLU A 4 -16.790 3.791 3.431 1.00 0.00 C ATOM 46 C GLU A 4 -16.994 2.922 2.194 1.00 0.00 C ATOM 47 O GLU A 4 -16.094 2.790 1.367 1.00 0.00 O ATOM 48 CB GLU A 4 -16.432 2.916 4.628 1.00 0.00 C ATOM 49 CG GLU A 4 -16.131 3.714 5.882 1.00 0.00 C ATOM 50 CD GLU A 4 -16.294 2.896 7.141 1.00 0.00 C ATOM 51 OE1 GLU A 4 -15.290 2.330 7.625 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.427 2.814 7.654 1.00 0.00 O ATOM 0 H GLU A 4 -18.399 4.362 4.642 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.973 4.482 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.256 2.232 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.565 2.305 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.111 4.096 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.793 4.579 5.926 1.00 0.00 H new ATOM 59 N ASP A 5 -18.185 2.355 2.054 1.00 0.00 N ATOM 60 CA ASP A 5 -18.464 1.456 0.939 1.00 0.00 C ATOM 61 C ASP A 5 -18.848 2.225 -0.321 1.00 0.00 C ATOM 62 O ASP A 5 -19.049 1.630 -1.381 1.00 0.00 O ATOM 63 CB ASP A 5 -19.551 0.435 1.304 1.00 0.00 C ATOM 64 CG ASP A 5 -19.029 -0.665 2.205 1.00 0.00 C ATOM 65 OD1 ASP A 5 -18.653 -1.738 1.687 1.00 0.00 O ATOM 66 OD2 ASP A 5 -18.987 -0.464 3.438 1.00 0.00 O ATOM 0 H ASP A 5 -18.968 2.499 2.692 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.544 0.911 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.375 0.947 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.953 -0.006 0.392 1.00 0.00 H new ATOM 71 N LYS A 6 -18.924 3.550 -0.221 1.00 0.00 N ATOM 72 CA LYS A 6 -19.220 4.372 -1.384 1.00 0.00 C ATOM 73 C LYS A 6 -17.937 5.025 -1.886 1.00 0.00 C ATOM 74 O LYS A 6 -17.943 5.772 -2.865 1.00 0.00 O ATOM 75 CB LYS A 6 -20.264 5.442 -1.047 1.00 0.00 C ATOM 76 CG LYS A 6 -20.811 6.158 -2.273 1.00 0.00 C ATOM 77 CD LYS A 6 -21.856 7.208 -1.923 1.00 0.00 C ATOM 78 CE LYS A 6 -21.269 8.374 -1.140 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.245 8.113 0.323 1.00 0.00 N ATOM 0 H LYS A 6 -18.786 4.070 0.645 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.632 3.735 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.090 4.977 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.818 6.176 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.989 6.634 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.250 5.426 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.312 7.582 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.651 6.745 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.255 8.570 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.853 9.273 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.954 8.711 0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.463 7.112 0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.301 8.334 0.700 1.00 0.00 H new ATOM 93 N CYS A 7 -16.838 4.731 -1.205 1.00 0.00 N ATOM 94 CA CYS A 7 -15.545 5.282 -1.573 1.00 0.00 C ATOM 95 C CYS A 7 -15.183 4.841 -2.986 1.00 0.00 C ATOM 96 O CYS A 7 -15.353 3.672 -3.347 1.00 0.00 O ATOM 97 CB CYS A 7 -14.462 4.824 -0.585 1.00 0.00 C ATOM 98 SG CYS A 7 -12.989 5.874 -0.567 1.00 0.00 S ATOM 0 H CYS A 7 -16.818 4.113 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.604 6.370 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.888 4.797 0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.166 3.805 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.136 5.410 0.297 1.00 0.00 H new ATOM 104 N LYS A 8 -14.711 5.791 -3.778 1.00 0.00 N ATOM 105 CA LYS A 8 -14.373 5.562 -5.152 1.00 0.00 C ATOM 106 C LYS A 8 -13.259 4.532 -5.284 1.00 0.00 C ATOM 107 O LYS A 8 -12.284 4.553 -4.536 1.00 0.00 O ATOM 108 CB LYS A 8 -13.955 6.904 -5.745 1.00 0.00 C ATOM 109 CG LYS A 8 -13.194 6.787 -7.042 1.00 0.00 C ATOM 110 CD LYS A 8 -13.208 8.078 -7.843 1.00 0.00 C ATOM 111 CE LYS A 8 -12.319 9.170 -7.243 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.860 9.746 -5.982 1.00 0.00 N ATOM 0 H LYS A 8 -14.554 6.751 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.230 5.158 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.845 7.510 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.338 7.435 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.162 6.506 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.626 5.986 -7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.879 7.870 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.232 8.447 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.329 8.757 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.194 9.969 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.719 10.776 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.876 9.536 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.363 9.329 -5.169 1.00 0.00 H new ATOM 126 N PRO A 9 -13.394 3.619 -6.250 1.00 0.00 N ATOM 127 CA PRO A 9 -12.392 2.587 -6.499 1.00 0.00 C ATOM 128 C PRO A 9 -11.105 3.194 -7.030 1.00 0.00 C ATOM 129 O PRO A 9 -11.130 4.098 -7.870 1.00 0.00 O ATOM 130 CB PRO A 9 -13.051 1.683 -7.542 1.00 0.00 C ATOM 131 CG PRO A 9 -14.061 2.546 -8.218 1.00 0.00 C ATOM 132 CD PRO A 9 -14.528 3.537 -7.189 1.00 0.00 C ATOM 0 HA PRO A 9 -12.109 2.046 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.318 1.302 -8.253 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.521 0.818 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.624 3.055 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.895 1.950 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.749 4.506 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.438 3.200 -6.691 1.00 0.00 H new ATOM 140 N MET A 10 -9.988 2.722 -6.509 1.00 0.00 N ATOM 141 CA MET A 10 -8.692 3.235 -6.896 1.00 0.00 C ATOM 142 C MET A 10 -8.372 2.824 -8.329 1.00 0.00 C ATOM 143 O MET A 10 -8.246 1.636 -8.630 1.00 0.00 O ATOM 144 CB MET A 10 -7.609 2.749 -5.936 1.00 0.00 C ATOM 145 CG MET A 10 -6.286 3.457 -6.146 1.00 0.00 C ATOM 146 SD MET A 10 -6.269 5.143 -5.522 1.00 0.00 S ATOM 147 CE MET A 10 -5.918 4.875 -3.796 1.00 0.00 C ATOM 0 H MET A 10 -9.955 1.978 -5.812 1.00 0.00 H new ATOM 0 HA MET A 10 -8.719 4.324 -6.846 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.942 2.905 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.468 1.676 -6.066 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.496 2.888 -5.655 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.055 3.470 -7.211 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.669 5.381 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.938 3.806 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.932 5.274 -3.559 1.00 0.00 H new ATOM 157 N SER A 11 -8.266 3.815 -9.207 1.00 0.00 N ATOM 158 CA SER A 11 -8.044 3.575 -10.629 1.00 0.00 C ATOM 159 C SER A 11 -6.635 3.036 -10.876 1.00 0.00 C ATOM 160 O SER A 11 -5.806 3.059 -9.970 1.00 0.00 O ATOM 161 CB SER A 11 -8.255 4.879 -11.396 1.00 0.00 C ATOM 162 OG SER A 11 -9.370 5.589 -10.883 1.00 0.00 O ATOM 0 H SER A 11 -8.331 4.801 -8.956 1.00 0.00 H new ATOM 0 HA SER A 11 -8.755 2.826 -10.979 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.360 5.497 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.410 4.664 -12.453 1.00 0.00 H new ATOM 0 HG SER A 11 -9.058 6.302 -10.287 1.00 0.00 H new ATOM 168 N TYR A 12 -6.363 2.562 -12.089 1.00 0.00 N ATOM 169 CA TYR A 12 -5.053 1.989 -12.411 1.00 0.00 C ATOM 170 C TYR A 12 -3.926 2.972 -12.110 1.00 0.00 C ATOM 171 O TYR A 12 -3.004 2.659 -11.352 1.00 0.00 O ATOM 172 CB TYR A 12 -4.989 1.548 -13.885 1.00 0.00 C ATOM 173 CG TYR A 12 -3.574 1.417 -14.427 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.579 0.777 -13.696 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.232 1.957 -15.660 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.290 0.680 -14.171 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.942 1.859 -16.147 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.975 1.221 -15.399 1.00 0.00 C ATOM 179 OH TYR A 12 0.311 1.128 -15.876 1.00 0.00 O ATOM 0 H TYR A 12 -7.026 2.562 -12.864 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.920 1.112 -11.778 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.498 0.590 -13.990 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.536 2.268 -14.494 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.822 0.347 -12.736 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.985 2.461 -16.247 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.531 0.183 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.692 2.280 -17.110 1.00 0.00 H new ATOM 0 HH TYR A 12 0.366 1.558 -16.755 1.00 0.00 H new ATOM 189 N GLU A 13 -4.008 4.156 -12.696 1.00 0.00 N ATOM 190 CA GLU A 13 -2.965 5.157 -12.541 1.00 0.00 C ATOM 191 C GLU A 13 -2.820 5.560 -11.078 1.00 0.00 C ATOM 192 O GLU A 13 -1.753 5.998 -10.644 1.00 0.00 O ATOM 193 CB GLU A 13 -3.276 6.368 -13.420 1.00 0.00 C ATOM 194 CG GLU A 13 -3.399 6.004 -14.890 1.00 0.00 C ATOM 195 CD GLU A 13 -3.805 7.174 -15.758 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.933 7.722 -16.464 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.995 7.550 -15.749 1.00 0.00 O ATOM 0 H GLU A 13 -4.788 4.448 -13.285 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.013 4.733 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.205 6.828 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.490 7.113 -13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.445 5.612 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.133 5.205 -15.000 1.00 0.00 H new ATOM 204 N GLU A 14 -3.885 5.359 -10.314 1.00 0.00 N ATOM 205 CA GLU A 14 -3.862 5.647 -8.897 1.00 0.00 C ATOM 206 C GLU A 14 -3.205 4.494 -8.154 1.00 0.00 C ATOM 207 O GLU A 14 -2.315 4.702 -7.343 1.00 0.00 O ATOM 208 CB GLU A 14 -5.278 5.860 -8.370 1.00 0.00 C ATOM 209 CG GLU A 14 -5.963 7.127 -8.848 1.00 0.00 C ATOM 210 CD GLU A 14 -7.334 7.317 -8.214 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.422 7.980 -7.158 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.331 6.796 -8.764 1.00 0.00 O ATOM 0 H GLU A 14 -4.774 4.997 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.290 6.560 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.889 5.005 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.245 5.873 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.335 7.987 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.068 7.094 -9.932 1.00 0.00 H new ATOM 219 N LYS A 15 -3.664 3.280 -8.443 1.00 0.00 N ATOM 220 CA LYS A 15 -3.085 2.068 -7.896 1.00 0.00 C ATOM 221 C LYS A 15 -1.578 2.021 -8.082 1.00 0.00 C ATOM 222 O LYS A 15 -0.835 1.739 -7.142 1.00 0.00 O ATOM 223 CB LYS A 15 -3.703 0.845 -8.561 1.00 0.00 C ATOM 224 CG LYS A 15 -5.095 0.515 -8.060 1.00 0.00 C ATOM 225 CD LYS A 15 -5.495 -0.886 -8.463 1.00 0.00 C ATOM 226 CE LYS A 15 -6.705 -1.374 -7.688 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.377 -2.503 -8.383 1.00 0.00 N ATOM 0 H LYS A 15 -4.453 3.114 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.299 2.066 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.744 1.010 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.054 -0.015 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.127 0.609 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.810 1.232 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.715 -0.908 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.659 -1.565 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.397 -1.690 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.411 -0.553 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.884 -3.087 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.053 -2.129 -9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.665 -3.084 -8.870 1.00 0.00 H new ATOM 241 N ARG A 16 -1.136 2.285 -9.301 1.00 0.00 N ATOM 242 CA ARG A 16 0.282 2.265 -9.609 1.00 0.00 C ATOM 243 C ARG A 16 1.019 3.323 -8.814 1.00 0.00 C ATOM 244 O ARG A 16 2.079 3.046 -8.254 1.00 0.00 O ATOM 245 CB ARG A 16 0.512 2.453 -11.116 1.00 0.00 C ATOM 246 CG ARG A 16 1.924 2.854 -11.505 1.00 0.00 C ATOM 247 CD ARG A 16 2.119 2.728 -13.006 1.00 0.00 C ATOM 248 NE ARG A 16 1.952 1.353 -13.471 1.00 0.00 N ATOM 249 CZ ARG A 16 2.965 0.563 -13.831 1.00 0.00 C ATOM 250 NH1 ARG A 16 4.219 0.989 -13.718 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.721 -0.654 -14.301 1.00 0.00 N ATOM 0 H ARG A 16 -1.739 2.515 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 16 0.680 1.291 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.261 1.522 -11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.179 3.213 -11.482 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.116 3.880 -11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.644 2.222 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.405 3.372 -13.519 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.115 3.081 -13.272 1.00 0.00 H new ATOM 0 HE ARG A 16 1.006 0.975 -13.523 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.410 1.923 -13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.991 0.382 -13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.760 -0.984 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.495 -1.259 -14.577 1.00 0.00 H new ATOM 265 N GLN A 17 0.457 4.526 -8.729 1.00 0.00 N ATOM 266 CA GLN A 17 1.109 5.560 -7.959 1.00 0.00 C ATOM 267 C GLN A 17 1.066 5.205 -6.475 1.00 0.00 C ATOM 268 O GLN A 17 2.042 5.400 -5.771 1.00 0.00 O ATOM 269 CB GLN A 17 0.515 6.951 -8.246 1.00 0.00 C ATOM 270 CG GLN A 17 1.271 8.066 -7.546 1.00 0.00 C ATOM 271 CD GLN A 17 2.716 8.164 -7.999 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.038 7.914 -9.162 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.601 8.487 -7.073 1.00 0.00 N ATOM 0 H GLN A 17 -0.421 4.796 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 17 2.154 5.614 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.524 7.131 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.528 6.969 -7.928 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.769 9.015 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.242 7.900 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.293 8.687 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.592 8.537 -7.310 1.00 0.00 H new ATOM 282 N LEU A 18 -0.041 4.610 -6.039 1.00 0.00 N ATOM 283 CA LEU A 18 -0.216 4.169 -4.658 1.00 0.00 C ATOM 284 C LEU A 18 0.866 3.196 -4.266 1.00 0.00 C ATOM 285 O LEU A 18 1.516 3.361 -3.239 1.00 0.00 O ATOM 286 CB LEU A 18 -1.579 3.499 -4.453 1.00 0.00 C ATOM 287 CG LEU A 18 -2.556 4.230 -3.522 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.039 3.338 -2.399 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.943 5.479 -2.933 1.00 0.00 C ATOM 0 H LEU A 18 -0.846 4.419 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.157 5.058 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.055 3.383 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.413 2.497 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.408 4.512 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.728 3.894 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.550 2.471 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.187 3.006 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.667 5.967 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.057 5.213 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.662 6.160 -3.736 1.00 0.00 H new ATOM 301 N SER A 19 1.057 2.186 -5.100 1.00 0.00 N ATOM 302 CA SER A 19 2.076 1.185 -4.858 1.00 0.00 C ATOM 303 C SER A 19 3.440 1.862 -4.731 1.00 0.00 C ATOM 304 O SER A 19 4.318 1.404 -3.997 1.00 0.00 O ATOM 305 CB SER A 19 2.089 0.167 -5.994 1.00 0.00 C ATOM 306 OG SER A 19 0.784 -0.327 -6.249 1.00 0.00 O ATOM 0 H SER A 19 0.516 2.040 -5.952 1.00 0.00 H new ATOM 0 HA SER A 19 1.854 0.661 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.490 0.629 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.751 -0.660 -5.738 1.00 0.00 H new ATOM 0 HG SER A 19 0.259 0.359 -6.711 1.00 0.00 H new ATOM 312 N LEU A 20 3.592 2.966 -5.452 1.00 0.00 N ATOM 313 CA LEU A 20 4.805 3.777 -5.392 1.00 0.00 C ATOM 314 C LEU A 20 4.863 4.644 -4.118 1.00 0.00 C ATOM 315 O LEU A 20 5.872 4.634 -3.417 1.00 0.00 O ATOM 316 CB LEU A 20 4.904 4.653 -6.640 1.00 0.00 C ATOM 317 CG LEU A 20 5.048 3.887 -7.954 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.989 4.841 -9.135 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.343 3.098 -7.968 1.00 0.00 C ATOM 0 H LEU A 20 2.883 3.324 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 20 5.657 3.098 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.014 5.280 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.758 5.321 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 20 4.218 3.186 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.093 4.278 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.033 5.364 -9.133 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.799 5.566 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.430 2.558 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.186 3.781 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.345 2.387 -7.142 1.00 0.00 H new ATOM 331 N ASP A 21 3.800 5.404 -3.820 1.00 0.00 N ATOM 332 CA ASP A 21 3.734 6.192 -2.596 1.00 0.00 C ATOM 333 C ASP A 21 3.977 5.304 -1.381 1.00 0.00 C ATOM 334 O ASP A 21 4.652 5.692 -0.425 1.00 0.00 O ATOM 335 CB ASP A 21 2.396 6.889 -2.451 1.00 0.00 C ATOM 336 CG ASP A 21 1.752 7.334 -3.745 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.410 8.069 -4.516 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.564 7.029 -3.957 1.00 0.00 O ATOM 0 H ASP A 21 2.976 5.485 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 21 4.512 6.953 -2.657 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.710 6.217 -1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.528 7.762 -1.812 1.00 0.00 H new ATOM 343 N ILE A 22 3.442 4.098 -1.453 1.00 0.00 N ATOM 344 CA ILE A 22 3.596 3.105 -0.398 1.00 0.00 C ATOM 345 C ILE A 22 5.036 2.590 -0.323 1.00 0.00 C ATOM 346 O ILE A 22 5.559 2.348 0.761 1.00 0.00 O ATOM 347 CB ILE A 22 2.606 1.933 -0.593 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.170 2.402 -0.353 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.935 0.789 0.346 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.128 1.441 -0.875 1.00 0.00 C ATOM 0 H ILE A 22 2.887 3.776 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 22 3.366 3.593 0.549 1.00 0.00 H new ATOM 0 HB ILE A 22 2.699 1.580 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.017 2.546 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.029 3.373 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.226 -0.024 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.945 0.433 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.871 1.135 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.867 1.837 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.255 1.316 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.243 0.476 -0.381 1.00 0.00 H new ATOM 362 N ASN A 23 5.687 2.448 -1.470 1.00 0.00 N ATOM 363 CA ASN A 23 7.059 1.947 -1.494 1.00 0.00 C ATOM 364 C ASN A 23 8.054 3.046 -1.119 1.00 0.00 C ATOM 365 O ASN A 23 9.199 2.757 -0.760 1.00 0.00 O ATOM 366 CB ASN A 23 7.406 1.324 -2.860 1.00 0.00 C ATOM 367 CG ASN A 23 8.151 2.252 -3.816 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.552 2.943 -4.633 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.470 2.250 -3.740 1.00 0.00 N ATOM 0 H ASN A 23 5.296 2.669 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 23 7.135 1.159 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.012 0.434 -2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.483 0.996 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.018 2.834 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.940 1.664 -3.050 1.00 0.00 H new ATOM 376 N LYS A 24 7.619 4.305 -1.204 1.00 0.00 N ATOM 377 CA LYS A 24 8.437 5.427 -0.755 1.00 0.00 C ATOM 378 C LYS A 24 8.665 5.346 0.740 1.00 0.00 C ATOM 379 O LYS A 24 9.721 5.738 1.244 1.00 0.00 O ATOM 380 CB LYS A 24 7.769 6.757 -1.071 1.00 0.00 C ATOM 381 CG LYS A 24 7.705 7.072 -2.546 1.00 0.00 C ATOM 382 CD LYS A 24 6.971 8.376 -2.792 1.00 0.00 C ATOM 383 CE LYS A 24 6.663 8.587 -4.260 1.00 0.00 C ATOM 384 NZ LYS A 24 7.896 8.679 -5.085 1.00 0.00 N ATOM 0 H LYS A 24 6.708 4.570 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 24 9.388 5.369 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.757 6.750 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.310 7.555 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.715 7.137 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.201 6.262 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.042 8.382 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.575 9.206 -2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.046 7.764 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.079 9.500 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.639 8.891 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.505 9.437 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.407 7.774 -5.047 1.00 0.00 H new ATOM 398 N LEU A 25 7.656 4.845 1.441 1.00 0.00 N ATOM 399 CA LEU A 25 7.718 4.693 2.878 1.00 0.00 C ATOM 400 C LEU A 25 8.929 3.873 3.280 1.00 0.00 C ATOM 401 O LEU A 25 9.313 2.929 2.588 1.00 0.00 O ATOM 402 CB LEU A 25 6.474 3.984 3.395 1.00 0.00 C ATOM 403 CG LEU A 25 5.136 4.499 2.888 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.036 3.602 3.411 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.898 5.933 3.334 1.00 0.00 C ATOM 0 H LEU A 25 6.777 4.535 1.026 1.00 0.00 H new ATOM 0 HA LEU A 25 7.786 5.692 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.552 2.928 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.473 4.048 4.483 1.00 0.00 H new ATOM 0 HG LEU A 25 5.140 4.486 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.072 3.963 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.197 2.584 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.046 3.612 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.934 6.276 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.900 5.980 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.689 6.572 2.942 1.00 0.00 H new ATOM 417 N PRO A 26 9.562 4.248 4.388 1.00 0.00 N ATOM 418 CA PRO A 26 10.608 3.432 4.998 1.00 0.00 C ATOM 419 C PRO A 26 10.072 2.048 5.376 1.00 0.00 C ATOM 420 O PRO A 26 8.864 1.893 5.568 1.00 0.00 O ATOM 421 CB PRO A 26 11.019 4.204 6.253 1.00 0.00 C ATOM 422 CG PRO A 26 10.435 5.579 6.118 1.00 0.00 C ATOM 423 CD PRO A 26 9.328 5.515 5.096 1.00 0.00 C ATOM 0 HA PRO A 26 11.443 3.265 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.647 3.711 7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.104 4.251 6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.049 5.925 7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.201 6.290 5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.347 5.530 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.366 6.365 4.414 1.00 0.00 H new ATOM 431 N GLY A 27 10.958 1.057 5.480 1.00 0.00 N ATOM 432 CA GLY A 27 10.533 -0.325 5.707 1.00 0.00 C ATOM 433 C GLY A 27 9.511 -0.471 6.824 1.00 0.00 C ATOM 434 O GLY A 27 8.518 -1.191 6.677 1.00 0.00 O ATOM 0 H GLY A 27 11.968 1.184 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.110 -0.723 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.407 -0.931 5.944 1.00 0.00 H new ATOM 438 N GLU A 28 9.754 0.228 7.925 1.00 0.00 N ATOM 439 CA GLU A 28 8.854 0.241 9.076 1.00 0.00 C ATOM 440 C GLU A 28 7.424 0.606 8.664 1.00 0.00 C ATOM 441 O GLU A 28 6.451 0.007 9.128 1.00 0.00 O ATOM 442 CB GLU A 28 9.367 1.265 10.095 1.00 0.00 C ATOM 443 CG GLU A 28 8.550 1.347 11.371 1.00 0.00 C ATOM 444 CD GLU A 28 8.718 0.132 12.253 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.678 0.100 13.051 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.889 -0.792 12.162 1.00 0.00 O ATOM 0 H GLU A 28 10.585 0.806 8.048 1.00 0.00 H new ATOM 0 HA GLU A 28 8.835 -0.758 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.397 1.017 10.353 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.384 2.249 9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.842 2.237 11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.497 1.462 11.116 1.00 0.00 H new ATOM 453 N LYS A 29 7.308 1.567 7.762 1.00 0.00 N ATOM 454 CA LYS A 29 6.019 2.134 7.411 1.00 0.00 C ATOM 455 C LYS A 29 5.232 1.245 6.455 1.00 0.00 C ATOM 456 O LYS A 29 4.005 1.286 6.438 1.00 0.00 O ATOM 457 CB LYS A 29 6.182 3.539 6.828 1.00 0.00 C ATOM 458 CG LYS A 29 6.334 4.663 7.871 1.00 0.00 C ATOM 459 CD LYS A 29 5.635 4.390 9.201 1.00 0.00 C ATOM 460 CE LYS A 29 5.849 5.553 10.154 1.00 0.00 C ATOM 461 NZ LYS A 29 5.629 6.866 9.496 1.00 0.00 N ATOM 0 H LYS A 29 8.097 1.972 7.258 1.00 0.00 H new ATOM 0 HA LYS A 29 5.443 2.201 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.056 3.547 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.317 3.759 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.395 4.826 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.939 5.588 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.569 4.238 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.023 3.472 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.171 5.455 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.863 5.513 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.301 7.557 10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.521 7.197 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.911 6.765 8.750 1.00 0.00 H new ATOM 475 N LEU A 30 5.909 0.423 5.670 1.00 0.00 N ATOM 476 CA LEU A 30 5.185 -0.537 4.845 1.00 0.00 C ATOM 477 C LEU A 30 4.601 -1.636 5.727 1.00 0.00 C ATOM 478 O LEU A 30 3.744 -2.403 5.298 1.00 0.00 O ATOM 479 CB LEU A 30 6.056 -1.141 3.744 1.00 0.00 C ATOM 480 CG LEU A 30 6.488 -0.188 2.638 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.938 0.195 2.800 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.262 -0.819 1.276 1.00 0.00 C ATOM 0 H LEU A 30 6.925 0.397 5.585 1.00 0.00 H new ATOM 0 HA LEU A 30 4.380 0.002 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.950 -1.561 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.512 -1.970 3.291 1.00 0.00 H new ATOM 0 HG LEU A 30 5.882 0.715 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.226 0.876 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.079 0.686 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.558 -0.700 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.576 -0.125 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.844 -1.738 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.204 -1.049 1.152 1.00 0.00 H new ATOM 494 N GLY A 31 5.049 -1.680 6.979 1.00 0.00 N ATOM 495 CA GLY A 31 4.469 -2.592 7.943 1.00 0.00 C ATOM 496 C GLY A 31 3.039 -2.220 8.270 1.00 0.00 C ATOM 497 O GLY A 31 2.254 -3.050 8.724 1.00 0.00 O ATOM 0 H GLY A 31 5.805 -1.098 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.500 -3.608 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.065 -2.586 8.855 1.00 0.00 H new ATOM 501 N ARG A 32 2.706 -0.966 8.025 1.00 0.00 N ATOM 502 CA ARG A 32 1.349 -0.473 8.223 1.00 0.00 C ATOM 503 C ARG A 32 0.430 -0.917 7.087 1.00 0.00 C ATOM 504 O ARG A 32 -0.635 -1.471 7.336 1.00 0.00 O ATOM 505 CB ARG A 32 1.349 1.050 8.326 1.00 0.00 C ATOM 506 CG ARG A 32 -0.024 1.680 8.127 1.00 0.00 C ATOM 507 CD ARG A 32 -0.616 2.180 9.432 1.00 0.00 C ATOM 508 NE ARG A 32 0.268 3.122 10.126 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.162 4.101 10.925 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.462 4.294 11.110 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.709 4.896 11.533 1.00 0.00 N ATOM 0 H ARG A 32 3.361 -0.262 7.685 1.00 0.00 H new ATOM 0 HA ARG A 32 0.971 -0.896 9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.732 1.339 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.036 1.455 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.056 2.509 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.697 0.948 7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.572 2.664 9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.820 1.330 10.084 1.00 0.00 H new ATOM 0 HE ARG A 32 1.274 3.023 9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.139 3.692 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.784 5.044 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.710 4.760 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.378 5.643 12.143 1.00 0.00 H new ATOM 525 N VAL A 33 0.839 -0.667 5.844 1.00 0.00 N ATOM 526 CA VAL A 33 0.031 -1.047 4.684 1.00 0.00 C ATOM 527 C VAL A 33 -0.189 -2.547 4.628 1.00 0.00 C ATOM 528 O VAL A 33 -1.296 -2.987 4.340 1.00 0.00 O ATOM 529 CB VAL A 33 0.638 -0.566 3.351 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.287 0.890 3.107 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.140 -0.747 3.341 1.00 0.00 C ATOM 0 H VAL A 33 1.719 -0.206 5.614 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.929 -0.547 4.815 1.00 0.00 H new ATOM 0 HB VAL A 33 0.215 -1.172 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.722 1.216 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.797 1.001 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.683 1.501 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.542 -0.400 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.581 -0.170 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.380 -1.802 3.473 1.00 0.00 H new ATOM 541 N VAL A 34 0.844 -3.336 4.916 1.00 0.00 N ATOM 542 CA VAL A 34 0.672 -4.777 4.964 1.00 0.00 C ATOM 543 C VAL A 34 -0.326 -5.135 6.057 1.00 0.00 C ATOM 544 O VAL A 34 -1.190 -5.975 5.859 1.00 0.00 O ATOM 545 CB VAL A 34 2.004 -5.533 5.180 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.012 -5.162 4.115 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.578 -5.270 6.555 1.00 0.00 C ATOM 0 H VAL A 34 1.788 -3.006 5.115 1.00 0.00 H new ATOM 0 HA VAL A 34 0.290 -5.093 3.993 1.00 0.00 H new ATOM 0 HB VAL A 34 1.787 -6.599 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.941 -5.706 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.616 -5.422 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.206 -4.090 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.513 -5.818 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.766 -4.203 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.869 -5.600 7.314 1.00 0.00 H new ATOM 557 N HIS A 35 -0.232 -4.444 7.189 1.00 0.00 N ATOM 558 CA HIS A 35 -1.156 -4.647 8.295 1.00 0.00 C ATOM 559 C HIS A 35 -2.577 -4.281 7.872 1.00 0.00 C ATOM 560 O HIS A 35 -3.521 -5.009 8.169 1.00 0.00 O ATOM 561 CB HIS A 35 -0.707 -3.825 9.509 1.00 0.00 C ATOM 562 CG HIS A 35 -1.657 -3.849 10.668 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.584 -4.773 11.689 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.695 -3.035 10.974 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.537 -4.528 12.570 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.220 -3.478 12.160 1.00 0.00 N ATOM 0 H HIS A 35 0.480 -3.735 7.363 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.153 -5.700 8.577 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.262 -4.196 9.843 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.562 -2.791 9.197 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.044 -2.194 10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.725 -5.092 13.472 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.013 -3.061 12.648 1.00 0.00 H new ATOM 575 N ILE A 36 -2.721 -3.156 7.175 1.00 0.00 N ATOM 576 CA ILE A 36 -4.013 -2.762 6.633 1.00 0.00 C ATOM 577 C ILE A 36 -4.508 -3.809 5.645 1.00 0.00 C ATOM 578 O ILE A 36 -5.508 -4.475 5.895 1.00 0.00 O ATOM 579 CB ILE A 36 -3.977 -1.388 5.924 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.657 -0.269 6.907 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.326 -1.127 5.270 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.356 1.050 6.234 1.00 0.00 C ATOM 0 H ILE A 36 -1.961 -2.506 6.975 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.690 -2.681 7.483 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.192 -1.408 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.500 -0.139 7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.801 -0.562 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.306 -0.159 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.534 -1.910 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.105 -1.125 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.137 1.803 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.494 0.935 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.220 1.365 5.648 1.00 0.00 H new ATOM 594 N ILE A 37 -3.787 -3.961 4.540 1.00 0.00 N ATOM 595 CA ILE A 37 -4.150 -4.915 3.501 1.00 0.00 C ATOM 596 C ILE A 37 -4.460 -6.302 4.070 1.00 0.00 C ATOM 597 O ILE A 37 -5.530 -6.827 3.836 1.00 0.00 O ATOM 598 CB ILE A 37 -3.051 -5.038 2.441 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.083 -3.830 1.518 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.231 -6.313 1.647 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.738 -3.194 1.314 1.00 0.00 C ATOM 0 H ILE A 37 -2.940 -3.430 4.341 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.054 -4.523 3.036 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.082 -5.074 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.483 -4.133 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.768 -3.088 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.444 -6.389 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.177 -7.170 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.203 -6.300 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.837 -2.339 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.344 -2.860 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.055 -3.921 0.875 1.00 0.00 H new ATOM 613 N GLN A 38 -3.534 -6.878 4.831 1.00 0.00 N ATOM 614 CA GLN A 38 -3.706 -8.236 5.358 1.00 0.00 C ATOM 615 C GLN A 38 -4.971 -8.361 6.209 1.00 0.00 C ATOM 616 O GLN A 38 -5.679 -9.367 6.139 1.00 0.00 O ATOM 617 CB GLN A 38 -2.496 -8.640 6.201 1.00 0.00 C ATOM 618 CG GLN A 38 -1.276 -9.042 5.394 1.00 0.00 C ATOM 619 CD GLN A 38 -0.008 -9.054 6.228 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.134 -8.287 7.180 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.917 -9.933 5.893 1.00 0.00 N ATOM 0 H GLN A 38 -2.657 -6.430 5.098 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.800 -8.901 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.228 -7.808 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.780 -9.471 6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.436 -10.032 4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.152 -8.352 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.766 -10.554 5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.783 -9.992 6.429 1.00 0.00 H new ATOM 630 N SER A 39 -5.246 -7.350 7.027 1.00 0.00 N ATOM 631 CA SER A 39 -6.420 -7.368 7.878 1.00 0.00 C ATOM 632 C SER A 39 -7.691 -7.204 7.048 1.00 0.00 C ATOM 633 O SER A 39 -8.690 -7.884 7.276 1.00 0.00 O ATOM 634 CB SER A 39 -6.327 -6.264 8.935 1.00 0.00 C ATOM 635 OG SER A 39 -6.326 -4.970 8.353 1.00 0.00 O ATOM 0 H SER A 39 -4.671 -6.512 7.115 1.00 0.00 H new ATOM 0 HA SER A 39 -6.463 -8.333 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.167 -6.351 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.418 -6.399 9.521 1.00 0.00 H new ATOM 0 HG SER A 39 -5.662 -4.936 7.633 1.00 0.00 H new ATOM 641 N ARG A 40 -7.631 -6.307 6.073 1.00 0.00 N ATOM 642 CA ARG A 40 -8.770 -6.017 5.213 1.00 0.00 C ATOM 643 C ARG A 40 -8.948 -7.122 4.172 1.00 0.00 C ATOM 644 O ARG A 40 -10.034 -7.320 3.632 1.00 0.00 O ATOM 645 CB ARG A 40 -8.567 -4.662 4.521 1.00 0.00 C ATOM 646 CG ARG A 40 -8.304 -3.515 5.489 1.00 0.00 C ATOM 647 CD ARG A 40 -9.113 -2.280 5.140 1.00 0.00 C ATOM 648 NE ARG A 40 -10.552 -2.543 5.172 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.487 -1.599 5.085 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.141 -0.328 4.923 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.769 -1.929 5.161 1.00 0.00 N ATOM 0 H ARG A 40 -6.796 -5.763 5.857 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.671 -5.973 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.730 -4.740 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.452 -4.430 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.547 -3.833 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.242 -3.268 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.875 -1.480 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.830 -1.929 4.148 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.858 -3.511 5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.156 -0.071 4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.860 0.392 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.038 -2.905 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.486 -1.207 5.095 1.00 0.00 H new ATOM 665 N GLU A 41 -7.866 -7.836 3.900 1.00 0.00 N ATOM 666 CA GLU A 41 -7.860 -8.909 2.916 1.00 0.00 C ATOM 667 C GLU A 41 -7.350 -10.203 3.550 1.00 0.00 C ATOM 668 O GLU A 41 -6.180 -10.559 3.392 1.00 0.00 O ATOM 669 CB GLU A 41 -6.964 -8.536 1.735 1.00 0.00 C ATOM 670 CG GLU A 41 -7.210 -7.137 1.191 1.00 0.00 C ATOM 671 CD GLU A 41 -8.553 -6.996 0.503 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.098 -5.871 0.474 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.088 -8.011 0.001 1.00 0.00 O ATOM 0 H GLU A 41 -6.966 -7.688 4.356 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.880 -9.059 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.922 -8.617 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.117 -9.259 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.150 -6.419 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.418 -6.883 0.486 1.00 0.00 H new ATOM 680 N PRO A 42 -8.218 -10.928 4.279 1.00 0.00 N ATOM 681 CA PRO A 42 -7.840 -12.164 4.992 1.00 0.00 C ATOM 682 C PRO A 42 -7.351 -13.292 4.073 1.00 0.00 C ATOM 683 O PRO A 42 -7.049 -14.391 4.540 1.00 0.00 O ATOM 684 CB PRO A 42 -9.135 -12.593 5.692 1.00 0.00 C ATOM 685 CG PRO A 42 -9.990 -11.373 5.725 1.00 0.00 C ATOM 686 CD PRO A 42 -9.635 -10.585 4.496 1.00 0.00 C ATOM 0 HA PRO A 42 -7.002 -11.974 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.625 -13.402 5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.935 -12.960 6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.047 -11.638 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.805 -10.791 6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.253 -10.867 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.772 -9.515 4.649 1.00 0.00 H new ATOM 694 N SER A 43 -7.266 -13.023 2.779 1.00 0.00 N ATOM 695 CA SER A 43 -6.875 -14.042 1.814 1.00 0.00 C ATOM 696 C SER A 43 -5.382 -13.966 1.486 1.00 0.00 C ATOM 697 O SER A 43 -4.869 -14.793 0.732 1.00 0.00 O ATOM 698 CB SER A 43 -7.700 -13.894 0.528 1.00 0.00 C ATOM 699 OG SER A 43 -9.089 -13.888 0.814 1.00 0.00 O ATOM 0 H SER A 43 -7.462 -12.109 2.372 1.00 0.00 H new ATOM 0 HA SER A 43 -7.070 -15.016 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.426 -12.970 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.469 -14.713 -0.153 1.00 0.00 H new ATOM 0 HG SER A 43 -9.594 -13.791 -0.020 1.00 0.00 H new ATOM 705 N LEU A 44 -4.678 -12.986 2.046 1.00 0.00 N ATOM 706 CA LEU A 44 -3.264 -12.826 1.730 1.00 0.00 C ATOM 707 C LEU A 44 -2.374 -12.810 2.967 1.00 0.00 C ATOM 708 O LEU A 44 -1.216 -12.398 2.897 1.00 0.00 O ATOM 709 CB LEU A 44 -3.035 -11.575 0.875 1.00 0.00 C ATOM 710 CG LEU A 44 -3.554 -10.258 1.429 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.517 -9.625 2.337 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.914 -9.331 0.281 1.00 0.00 C ATOM 0 H LEU A 44 -5.054 -12.305 2.706 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.974 -13.704 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.963 -11.472 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.498 -11.740 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.450 -10.441 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.902 -8.683 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.299 -10.299 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.604 -9.438 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.286 -8.387 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.029 -9.145 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.686 -9.795 -0.333 1.00 0.00 H new ATOM 724 N LYS A 45 -2.879 -13.296 4.092 1.00 0.00 N ATOM 725 CA LYS A 45 -2.057 -13.362 5.295 1.00 0.00 C ATOM 726 C LYS A 45 -1.188 -14.613 5.293 1.00 0.00 C ATOM 727 O LYS A 45 -0.515 -14.925 6.280 1.00 0.00 O ATOM 728 CB LYS A 45 -2.879 -13.240 6.579 1.00 0.00 C ATOM 729 CG LYS A 45 -4.115 -14.092 6.625 1.00 0.00 C ATOM 730 CD LYS A 45 -5.017 -13.676 7.772 1.00 0.00 C ATOM 731 CE LYS A 45 -4.564 -14.240 9.118 1.00 0.00 C ATOM 732 NZ LYS A 45 -3.361 -13.544 9.655 1.00 0.00 N ATOM 0 H LYS A 45 -3.832 -13.644 4.199 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.396 -12.495 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.244 -13.502 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.170 -12.197 6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.656 -14.007 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.836 -15.139 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.044 -12.588 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.034 -14.010 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.379 -14.155 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.346 -15.302 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.456 -13.431 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.512 -14.107 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.274 -12.608 9.210 1.00 0.00 H new ATOM 746 N ASN A 46 -1.217 -15.335 4.175 1.00 0.00 N ATOM 747 CA ASN A 46 -0.249 -16.396 3.930 1.00 0.00 C ATOM 748 C ASN A 46 1.113 -15.763 3.660 1.00 0.00 C ATOM 749 O ASN A 46 2.156 -16.389 3.841 1.00 0.00 O ATOM 750 CB ASN A 46 -0.654 -17.277 2.739 1.00 0.00 C ATOM 751 CG ASN A 46 -2.069 -17.814 2.841 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.318 -18.824 3.498 1.00 0.00 O ATOM 753 ND2 ASN A 46 -3.000 -17.167 2.155 1.00 0.00 N ATOM 0 H ASN A 46 -1.899 -15.204 3.428 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.209 -17.036 4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.558 -16.699 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.040 -18.114 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.963 -17.503 2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.754 -16.333 1.622 1.00 0.00 H new ATOM 760 N SER A 47 1.081 -14.510 3.218 1.00 0.00 N ATOM 761 CA SER A 47 2.281 -13.707 3.059 1.00 0.00 C ATOM 762 C SER A 47 2.623 -13.041 4.382 1.00 0.00 C ATOM 763 O SER A 47 1.785 -12.359 4.972 1.00 0.00 O ATOM 764 CB SER A 47 2.063 -12.651 1.972 1.00 0.00 C ATOM 765 OG SER A 47 1.816 -13.257 0.716 1.00 0.00 O ATOM 0 H SER A 47 0.221 -14.026 2.961 1.00 0.00 H new ATOM 0 HA SER A 47 3.110 -14.348 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.222 -12.013 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.941 -12.009 1.903 1.00 0.00 H new ATOM 0 HG SER A 47 1.678 -12.562 0.039 1.00 0.00 H new ATOM 771 N ASN A 48 3.837 -13.260 4.862 1.00 0.00 N ATOM 772 CA ASN A 48 4.281 -12.636 6.101 1.00 0.00 C ATOM 773 C ASN A 48 4.544 -11.165 5.833 1.00 0.00 C ATOM 774 O ASN A 48 5.014 -10.839 4.753 1.00 0.00 O ATOM 775 CB ASN A 48 5.568 -13.287 6.623 1.00 0.00 C ATOM 776 CG ASN A 48 5.517 -13.602 8.099 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.730 -12.738 8.951 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.288 -14.861 8.405 1.00 0.00 N ATOM 0 H ASN A 48 4.530 -13.861 4.416 1.00 0.00 H new ATOM 0 HA ASN A 48 3.504 -12.763 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.754 -14.206 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.409 -12.622 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.282 -15.156 9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.116 -15.542 7.666 1.00 0.00 H new ATOM 785 N PRO A 49 4.254 -10.252 6.769 1.00 0.00 N ATOM 786 CA PRO A 49 4.473 -8.812 6.537 1.00 0.00 C ATOM 787 C PRO A 49 5.890 -8.498 6.044 1.00 0.00 C ATOM 788 O PRO A 49 6.071 -7.707 5.123 1.00 0.00 O ATOM 789 CB PRO A 49 4.224 -8.195 7.916 1.00 0.00 C ATOM 790 CG PRO A 49 3.304 -9.153 8.600 1.00 0.00 C ATOM 791 CD PRO A 49 3.697 -10.522 8.114 1.00 0.00 C ATOM 0 HA PRO A 49 3.822 -8.421 5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.155 -8.076 8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.774 -7.206 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.400 -9.081 9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.264 -8.936 8.357 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.433 -10.987 8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.841 -11.195 8.068 1.00 0.00 H new ATOM 799 N ASP A 50 6.876 -9.187 6.604 1.00 0.00 N ATOM 800 CA ASP A 50 8.285 -8.894 6.331 1.00 0.00 C ATOM 801 C ASP A 50 8.701 -9.411 4.960 1.00 0.00 C ATOM 802 O ASP A 50 9.691 -8.964 4.383 1.00 0.00 O ATOM 803 CB ASP A 50 9.174 -9.513 7.417 1.00 0.00 C ATOM 804 CG ASP A 50 8.945 -8.885 8.775 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.156 -9.439 9.566 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.552 -7.830 9.059 1.00 0.00 O ATOM 0 H ASP A 50 6.728 -9.958 7.255 1.00 0.00 H new ATOM 0 HA ASP A 50 8.410 -7.811 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.978 -10.584 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.221 -9.396 7.137 1.00 0.00 H new ATOM 811 N GLU A 51 7.907 -10.329 4.438 1.00 0.00 N ATOM 812 CA GLU A 51 8.179 -10.987 3.167 1.00 0.00 C ATOM 813 C GLU A 51 6.951 -10.865 2.284 1.00 0.00 C ATOM 814 O GLU A 51 6.656 -11.733 1.463 1.00 0.00 O ATOM 815 CB GLU A 51 8.546 -12.462 3.368 1.00 0.00 C ATOM 816 CG GLU A 51 10.041 -12.730 3.414 1.00 0.00 C ATOM 817 CD GLU A 51 10.700 -12.221 4.678 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.423 -11.211 4.604 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.510 -12.843 5.748 1.00 0.00 O ATOM 0 H GLU A 51 7.047 -10.643 4.887 1.00 0.00 H new ATOM 0 HA GLU A 51 9.032 -10.502 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.096 -12.814 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.108 -13.047 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.214 -13.803 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.514 -12.261 2.551 1.00 0.00 H new ATOM 826 N ILE A 52 6.234 -9.781 2.497 1.00 0.00 N ATOM 827 CA ILE A 52 4.937 -9.555 1.890 1.00 0.00 C ATOM 828 C ILE A 52 5.017 -9.407 0.364 1.00 0.00 C ATOM 829 O ILE A 52 6.016 -8.936 -0.186 1.00 0.00 O ATOM 830 CB ILE A 52 4.309 -8.280 2.485 1.00 0.00 C ATOM 831 CG1 ILE A 52 2.839 -8.164 2.121 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.037 -7.073 1.954 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.976 -9.300 2.603 1.00 0.00 C ATOM 0 H ILE A 52 6.539 -9.021 3.105 1.00 0.00 H new ATOM 0 HA ILE A 52 4.323 -10.430 2.105 1.00 0.00 H new ATOM 0 HB ILE A 52 4.394 -8.336 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.450 -7.232 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.752 -8.096 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.596 -6.169 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.088 -7.128 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.955 -7.047 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.944 -9.129 2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.332 -10.236 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.026 -9.359 3.690 1.00 0.00 H new ATOM 845 N GLU A 53 3.963 -9.849 -0.304 1.00 0.00 N ATOM 846 CA GLU A 53 3.751 -9.576 -1.708 1.00 0.00 C ATOM 847 C GLU A 53 2.275 -9.206 -1.900 1.00 0.00 C ATOM 848 O GLU A 53 1.412 -10.082 -1.951 1.00 0.00 O ATOM 849 CB GLU A 53 4.124 -10.823 -2.502 1.00 0.00 C ATOM 850 CG GLU A 53 4.688 -10.556 -3.877 1.00 0.00 C ATOM 851 CD GLU A 53 3.627 -10.179 -4.891 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.283 -8.991 -4.988 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.139 -11.085 -5.601 1.00 0.00 O ATOM 0 H GLU A 53 3.227 -10.412 0.121 1.00 0.00 H new ATOM 0 HA GLU A 53 4.368 -8.749 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.855 -11.395 -1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.238 -11.450 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.422 -9.753 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.216 -11.444 -4.225 1.00 0.00 H new ATOM 860 N ILE A 54 1.992 -7.910 -1.972 1.00 0.00 N ATOM 861 CA ILE A 54 0.615 -7.416 -1.976 1.00 0.00 C ATOM 862 C ILE A 54 0.090 -7.277 -3.395 1.00 0.00 C ATOM 863 O ILE A 54 0.670 -6.566 -4.217 1.00 0.00 O ATOM 864 CB ILE A 54 0.490 -6.040 -1.279 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.961 -6.135 0.170 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.952 -5.535 -1.337 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.121 -4.791 0.837 1.00 0.00 C ATOM 0 H ILE A 54 2.700 -7.178 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 54 0.027 -8.151 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 54 1.125 -5.328 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.247 -6.732 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.914 -6.663 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.019 -4.566 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.260 -5.432 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.607 -6.246 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.458 -4.932 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.857 -4.200 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.164 -4.269 0.838 1.00 0.00 H new ATOM 879 N ASP A 55 -1.010 -7.944 -3.674 1.00 0.00 N ATOM 880 CA ASP A 55 -1.655 -7.825 -4.962 1.00 0.00 C ATOM 881 C ASP A 55 -2.616 -6.644 -4.931 1.00 0.00 C ATOM 882 O ASP A 55 -3.753 -6.756 -4.452 1.00 0.00 O ATOM 883 CB ASP A 55 -2.419 -9.101 -5.324 1.00 0.00 C ATOM 884 CG ASP A 55 -1.752 -10.374 -4.855 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.085 -11.037 -5.678 1.00 0.00 O ATOM 886 OD2 ASP A 55 -1.912 -10.737 -3.674 1.00 0.00 O ATOM 0 H ASP A 55 -1.476 -8.576 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.887 -7.667 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.419 -9.047 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.540 -9.144 -6.406 1.00 0.00 H new ATOM 891 N PHE A 56 -2.165 -5.508 -5.447 1.00 0.00 N ATOM 892 CA PHE A 56 -2.973 -4.293 -5.446 1.00 0.00 C ATOM 893 C PHE A 56 -4.264 -4.499 -6.230 1.00 0.00 C ATOM 894 O PHE A 56 -5.215 -3.728 -6.114 1.00 0.00 O ATOM 895 CB PHE A 56 -2.189 -3.124 -6.038 1.00 0.00 C ATOM 896 CG PHE A 56 -2.437 -1.859 -5.283 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.925 -1.712 -4.020 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.204 -0.836 -5.806 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.164 -0.581 -3.294 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.441 0.311 -5.069 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.915 0.421 -3.813 1.00 0.00 C ATOM 0 H PHE A 56 -1.244 -5.401 -5.872 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.226 -4.061 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.124 -3.355 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.471 -2.987 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.324 -2.502 -3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.622 -0.932 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.752 -0.484 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.036 1.112 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.099 1.312 -3.230 1.00 0.00 H new ATOM 911 N GLU A 57 -4.288 -5.560 -7.014 1.00 0.00 N ATOM 912 CA GLU A 57 -5.412 -5.864 -7.870 1.00 0.00 C ATOM 913 C GLU A 57 -6.465 -6.710 -7.170 1.00 0.00 C ATOM 914 O GLU A 57 -7.568 -6.887 -7.687 1.00 0.00 O ATOM 915 CB GLU A 57 -4.903 -6.572 -9.118 1.00 0.00 C ATOM 916 CG GLU A 57 -4.115 -5.652 -10.028 1.00 0.00 C ATOM 917 CD GLU A 57 -4.995 -4.610 -10.689 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.642 -3.820 -9.969 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.047 -4.582 -11.934 1.00 0.00 O ATOM 0 H GLU A 57 -3.526 -6.235 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.898 -4.926 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.274 -7.412 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.749 -6.984 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.335 -5.154 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.616 -6.243 -10.796 1.00 0.00 H new ATOM 926 N THR A 58 -6.139 -7.226 -6.001 1.00 0.00 N ATOM 927 CA THR A 58 -7.070 -8.069 -5.275 1.00 0.00 C ATOM 928 C THR A 58 -7.639 -7.340 -4.070 1.00 0.00 C ATOM 929 O THR A 58 -8.631 -7.771 -3.480 1.00 0.00 O ATOM 930 CB THR A 58 -6.391 -9.376 -4.838 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.273 -9.102 -3.988 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.921 -10.138 -6.061 1.00 0.00 C ATOM 0 H THR A 58 -5.243 -7.078 -5.536 1.00 0.00 H new ATOM 0 HA THR A 58 -7.894 -8.313 -5.946 1.00 0.00 H new ATOM 0 HB THR A 58 -7.113 -9.976 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.843 -9.944 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.440 -11.065 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.776 -10.369 -6.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.209 -9.529 -6.618 1.00 0.00 H new ATOM 940 N LEU A 59 -7.012 -6.227 -3.718 1.00 0.00 N ATOM 941 CA LEU A 59 -7.471 -5.416 -2.597 1.00 0.00 C ATOM 942 C LEU A 59 -8.815 -4.784 -2.915 1.00 0.00 C ATOM 943 O LEU A 59 -9.055 -4.339 -4.042 1.00 0.00 O ATOM 944 CB LEU A 59 -6.464 -4.313 -2.281 1.00 0.00 C ATOM 945 CG LEU A 59 -5.005 -4.759 -2.238 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.092 -3.579 -1.961 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.817 -5.831 -1.186 1.00 0.00 C ATOM 0 H LEU A 59 -6.185 -5.864 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.572 -6.070 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.565 -3.526 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.721 -3.873 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.741 -5.173 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.057 -3.918 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.210 -2.835 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.353 -3.135 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.772 -6.141 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.098 -5.436 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.445 -6.689 -1.425 1.00 0.00 H new ATOM 959 N LYS A 60 -9.693 -4.757 -1.929 1.00 0.00 N ATOM 960 CA LYS A 60 -10.977 -4.107 -2.074 1.00 0.00 C ATOM 961 C LYS A 60 -10.790 -2.586 -1.984 1.00 0.00 C ATOM 962 O LYS A 60 -9.917 -2.123 -1.243 1.00 0.00 O ATOM 963 CB LYS A 60 -11.946 -4.635 -1.002 1.00 0.00 C ATOM 964 CG LYS A 60 -11.737 -4.064 0.392 1.00 0.00 C ATOM 965 CD LYS A 60 -12.764 -4.618 1.376 1.00 0.00 C ATOM 966 CE LYS A 60 -12.264 -5.851 2.127 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.582 -6.832 1.245 1.00 0.00 N ATOM 0 H LYS A 60 -9.536 -5.181 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.409 -4.333 -3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.966 -4.418 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.852 -5.720 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.732 -4.303 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.812 -2.977 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.026 -3.842 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.676 -4.873 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.576 -5.537 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.107 -6.337 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.177 -7.596 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.269 -7.232 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.822 -6.356 0.719 1.00 0.00 H new ATOM 981 N PRO A 61 -11.556 -1.798 -2.783 1.00 0.00 N ATOM 982 CA PRO A 61 -11.460 -0.332 -2.832 1.00 0.00 C ATOM 983 C PRO A 61 -11.125 0.330 -1.494 1.00 0.00 C ATOM 984 O PRO A 61 -10.223 1.169 -1.424 1.00 0.00 O ATOM 985 CB PRO A 61 -12.860 0.082 -3.272 1.00 0.00 C ATOM 986 CG PRO A 61 -13.369 -1.046 -4.102 1.00 0.00 C ATOM 987 CD PRO A 61 -12.562 -2.280 -3.749 1.00 0.00 C ATOM 0 HA PRO A 61 -10.648 -0.021 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.505 0.258 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.833 1.009 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.429 -1.214 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.270 -0.815 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.192 -3.055 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.090 -2.712 -4.632 1.00 0.00 H new ATOM 995 N SER A 62 -11.842 -0.051 -0.441 1.00 0.00 N ATOM 996 CA SER A 62 -11.664 0.565 0.869 1.00 0.00 C ATOM 997 C SER A 62 -10.233 0.402 1.387 1.00 0.00 C ATOM 998 O SER A 62 -9.681 1.328 1.971 1.00 0.00 O ATOM 999 CB SER A 62 -12.675 -0.004 1.868 1.00 0.00 C ATOM 1000 OG SER A 62 -12.691 -1.419 1.828 1.00 0.00 O ATOM 0 H SER A 62 -12.551 -0.783 -0.470 1.00 0.00 H new ATOM 0 HA SER A 62 -11.845 1.634 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.425 0.331 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.670 0.380 1.642 1.00 0.00 H new ATOM 0 HG SER A 62 -13.585 -1.743 2.064 1.00 0.00 H new ATOM 1006 N THR A 63 -9.623 -0.757 1.146 1.00 0.00 N ATOM 1007 CA THR A 63 -8.247 -0.992 1.569 1.00 0.00 C ATOM 1008 C THR A 63 -7.332 -0.051 0.815 1.00 0.00 C ATOM 1009 O THR A 63 -6.571 0.691 1.420 1.00 0.00 O ATOM 1010 CB THR A 63 -7.794 -2.450 1.326 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.854 -3.352 1.674 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.561 -2.783 2.152 1.00 0.00 C ATOM 0 H THR A 63 -10.058 -1.543 0.663 1.00 0.00 H new ATOM 0 HA THR A 63 -8.195 -0.810 2.642 1.00 0.00 H new ATOM 0 HB THR A 63 -7.546 -2.557 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.716 -4.210 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.264 -3.814 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.746 -2.114 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.788 -2.660 3.211 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.469 -0.044 -0.507 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.635 0.782 -1.374 1.00 0.00 C ATOM 1022 C LEU A 64 -6.739 2.253 -0.988 1.00 0.00 C ATOM 1023 O LEU A 64 -5.756 2.986 -1.023 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.053 0.585 -2.835 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.134 -0.868 -3.272 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.303 -1.044 -4.198 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.867 -1.282 -3.973 1.00 0.00 C ATOM 0 H LEU A 64 -8.157 -0.608 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.596 0.474 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.025 1.053 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.343 1.106 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.263 -1.495 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.364 -2.086 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.222 -0.767 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.173 -0.407 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.944 -2.326 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.717 -0.657 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.021 -1.164 -3.296 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.930 2.674 -0.600 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.144 4.059 -0.214 1.00 0.00 C ATOM 1041 C ARG A 65 -7.659 4.325 1.212 1.00 0.00 C ATOM 1042 O ARG A 65 -7.358 5.468 1.564 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.615 4.447 -0.370 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.113 4.385 -1.812 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.180 5.127 -2.763 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.802 5.378 -4.063 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.334 6.246 -4.966 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.349 7.078 -4.657 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.874 6.303 -6.176 1.00 0.00 N ATOM 0 H ARG A 65 -8.759 2.082 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.553 4.683 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.224 3.785 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.758 5.458 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.197 3.344 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.112 4.817 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.885 6.075 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.269 4.545 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.648 4.857 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.940 7.060 -3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.000 7.736 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.648 5.684 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.516 6.966 -6.864 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.564 3.277 2.029 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.977 3.407 3.354 1.00 0.00 C ATOM 1065 C GLU A 66 -5.470 3.528 3.213 1.00 0.00 C ATOM 1066 O GLU A 66 -4.837 4.378 3.839 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.311 2.186 4.212 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.750 2.117 4.698 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.134 3.278 5.584 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.924 4.136 5.141 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -8.656 3.338 6.734 1.00 0.00 O ATOM 0 H GLU A 66 -7.884 2.337 1.796 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.384 4.294 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.094 1.286 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.650 2.178 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.417 2.090 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.898 1.186 5.245 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.919 2.666 2.361 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.496 2.653 2.063 1.00 0.00 C ATOM 1080 C LEU A 67 -3.041 4.049 1.613 1.00 0.00 C ATOM 1081 O LEU A 67 -2.003 4.557 2.040 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.221 1.645 0.943 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.859 0.287 1.147 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.495 -0.654 0.015 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.468 -0.282 2.497 1.00 0.00 C ATOM 0 H LEU A 67 -5.452 1.956 1.858 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.946 2.369 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.578 2.062 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.143 1.515 0.846 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.943 0.404 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.964 -1.623 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.846 -0.239 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.413 -0.777 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.934 -1.258 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.384 -0.388 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.804 0.390 3.286 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.858 4.653 0.745 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.584 5.961 0.154 1.00 0.00 C ATOM 1099 C GLU A 68 -3.512 7.077 1.197 1.00 0.00 C ATOM 1100 O GLU A 68 -2.469 7.715 1.363 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.673 6.305 -0.857 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.448 7.639 -1.537 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.446 7.939 -2.633 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -5.024 8.371 -3.721 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -6.664 7.758 -2.408 1.00 0.00 O ATOM 0 H GLU A 68 -4.737 4.241 0.431 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.609 5.892 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.720 5.521 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.639 6.319 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.494 8.430 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.443 7.657 -1.958 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.634 7.310 1.887 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.739 8.358 2.917 1.00 0.00 C ATOM 1114 C ARG A 69 -3.670 8.170 3.969 1.00 0.00 C ATOM 1115 O ARG A 69 -3.257 9.113 4.650 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.119 8.300 3.561 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.338 9.370 4.606 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.269 8.883 5.695 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.804 7.634 6.293 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.495 6.497 6.269 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.668 6.440 5.650 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.008 5.411 6.855 1.00 0.00 N ATOM 0 H ARG A 69 -5.495 6.780 1.750 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.597 9.332 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.878 8.399 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.257 7.321 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.382 9.658 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.756 10.261 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.353 9.646 6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.267 8.738 5.281 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.895 7.633 6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.043 7.270 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.194 5.566 5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.103 5.447 7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.538 4.540 6.836 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.203 6.956 4.070 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.174 6.633 5.017 1.00 0.00 C ATOM 1138 C TYR A 70 -0.817 7.137 4.536 1.00 0.00 C ATOM 1139 O TYR A 70 -0.169 7.926 5.214 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.110 5.130 5.259 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.770 4.711 5.752 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.006 3.875 4.991 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.257 5.204 6.946 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.257 3.533 5.390 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.004 4.856 7.364 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.761 4.021 6.581 1.00 0.00 C ATOM 1147 OH TYR A 70 3.026 3.685 6.982 1.00 0.00 O ATOM 0 H TYR A 70 -3.522 6.170 3.504 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.421 7.129 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.871 4.845 5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.339 4.602 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.383 3.484 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.856 5.868 7.551 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.859 2.879 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.395 5.235 8.297 1.00 0.00 H new ATOM 0 HH TYR A 70 3.301 2.856 6.537 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.376 6.677 3.375 1.00 0.00 N ATOM 1158 CA VAL A 71 0.951 7.029 2.900 1.00 0.00 C ATOM 1159 C VAL A 71 1.048 8.502 2.616 1.00 0.00 C ATOM 1160 O VAL A 71 2.063 9.121 2.904 1.00 0.00 O ATOM 1161 CB VAL A 71 1.364 6.246 1.655 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.364 4.780 1.967 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.440 6.506 0.485 1.00 0.00 C ATOM 0 H VAL A 71 -0.909 6.069 2.753 1.00 0.00 H new ATOM 0 HA VAL A 71 1.638 6.762 3.703 1.00 0.00 H new ATOM 0 HB VAL A 71 2.362 6.579 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.658 4.219 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.069 4.580 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.364 4.473 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.773 5.928 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.575 6.210 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.455 7.568 0.238 1.00 0.00 H new ATOM 1173 N THR A 72 -0.019 9.074 2.091 1.00 0.00 N ATOM 1174 CA THR A 72 -0.028 10.485 1.820 1.00 0.00 C ATOM 1175 C THR A 72 0.123 11.247 3.137 1.00 0.00 C ATOM 1176 O THR A 72 0.682 12.328 3.168 1.00 0.00 O ATOM 1177 CB THR A 72 -1.309 10.918 1.063 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.108 12.186 0.432 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.508 11.008 1.994 1.00 0.00 C ATOM 0 H THR A 72 -0.879 8.583 1.848 1.00 0.00 H new ATOM 0 HA THR A 72 0.812 10.723 1.167 1.00 0.00 H new ATOM 0 HB THR A 72 -1.513 10.157 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.924 12.448 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.387 11.314 1.427 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.690 10.034 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.307 11.741 2.776 1.00 0.00 H new ATOM 1187 N SER A 73 -0.311 10.640 4.241 1.00 0.00 N ATOM 1188 CA SER A 73 -0.179 11.272 5.541 1.00 0.00 C ATOM 1189 C SER A 73 1.281 11.223 5.996 1.00 0.00 C ATOM 1190 O SER A 73 1.758 12.105 6.709 1.00 0.00 O ATOM 1191 CB SER A 73 -1.089 10.584 6.561 1.00 0.00 C ATOM 1192 OG SER A 73 -0.442 9.495 7.197 1.00 0.00 O ATOM 0 H SER A 73 -0.752 9.720 4.256 1.00 0.00 H new ATOM 0 HA SER A 73 -0.485 12.315 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.404 11.308 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.991 10.229 6.062 1.00 0.00 H new ATOM 0 HG SER A 73 -0.055 8.903 6.519 1.00 0.00 H new ATOM 1198 N CYS A 74 1.989 10.191 5.548 1.00 0.00 N ATOM 1199 CA CYS A 74 3.381 9.984 5.916 1.00 0.00 C ATOM 1200 C CYS A 74 4.306 10.787 5.012 1.00 0.00 C ATOM 1201 O CYS A 74 5.350 11.276 5.437 1.00 0.00 O ATOM 1202 CB CYS A 74 3.715 8.498 5.818 1.00 0.00 C ATOM 1203 SG CYS A 74 5.397 8.072 6.331 1.00 0.00 S ATOM 0 H CYS A 74 1.614 9.478 4.922 1.00 0.00 H new ATOM 0 HA CYS A 74 3.528 10.326 6.941 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.009 7.939 6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.569 8.173 4.788 1.00 0.00 H new ATOM 0 HG CYS A 74 6.162 9.117 6.221 1.00 0.00 H new ATOM 1209 N LEU A 75 3.916 10.881 3.757 1.00 0.00 N ATOM 1210 CA LEU A 75 4.696 11.589 2.744 1.00 0.00 C ATOM 1211 C LEU A 75 4.433 13.104 2.762 1.00 0.00 C ATOM 1212 O LEU A 75 5.352 13.891 2.531 1.00 0.00 O ATOM 1213 CB LEU A 75 4.388 10.986 1.370 1.00 0.00 C ATOM 1214 CG LEU A 75 4.447 9.462 1.345 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.895 8.915 0.035 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.863 8.963 1.583 1.00 0.00 C ATOM 0 H LEU A 75 3.051 10.472 3.404 1.00 0.00 H new ATOM 0 HA LEU A 75 5.755 11.464 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.395 11.308 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.097 11.381 0.642 1.00 0.00 H new ATOM 0 HG LEU A 75 3.820 9.094 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.949 7.826 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.857 9.226 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.484 9.301 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.874 7.873 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.521 9.349 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.212 9.308 2.556 1.00 0.00 H new ATOM 1228 N ARG A 76 3.185 13.515 3.021 1.00 0.00 N ATOM 1229 CA ARG A 76 2.862 14.938 3.160 1.00 0.00 C ATOM 1230 C ARG A 76 3.493 15.513 4.424 1.00 0.00 C ATOM 1231 O ARG A 76 3.906 16.671 4.461 1.00 0.00 O ATOM 1232 CB ARG A 76 1.352 15.180 3.205 1.00 0.00 C ATOM 1233 CG ARG A 76 0.624 14.917 1.886 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.778 15.517 1.872 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.631 14.883 0.869 1.00 0.00 N ATOM 1236 CZ ARG A 76 -2.938 15.101 0.751 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.550 15.955 1.565 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.634 14.464 -0.182 1.00 0.00 N ATOM 0 H ARG A 76 2.390 12.887 3.137 1.00 0.00 H new ATOM 0 HA ARG A 76 3.268 15.439 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.919 14.544 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.172 16.212 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.204 15.335 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.559 13.842 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.231 15.405 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.714 16.586 1.671 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.196 14.231 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.017 16.446 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.552 16.120 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.167 13.808 -0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.636 14.630 -0.273 1.00 0.00 H new ATOM 1252 N LYS A 77 3.534 14.702 5.468 1.00 0.00 N ATOM 1253 CA LYS A 77 4.175 15.086 6.716 1.00 0.00 C ATOM 1254 C LYS A 77 5.595 14.546 6.757 1.00 0.00 C ATOM 1255 O LYS A 77 6.124 14.103 5.737 1.00 0.00 O ATOM 1256 CB LYS A 77 3.382 14.558 7.910 1.00 0.00 C ATOM 1257 CG LYS A 77 2.125 15.352 8.190 1.00 0.00 C ATOM 1258 CD LYS A 77 1.241 14.652 9.209 1.00 0.00 C ATOM 1259 CE LYS A 77 0.036 15.499 9.587 1.00 0.00 C ATOM 1260 NZ LYS A 77 -0.843 15.773 8.420 1.00 0.00 N ATOM 0 H LYS A 77 3.128 13.766 5.476 1.00 0.00 H new ATOM 0 HA LYS A 77 4.204 16.174 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.113 13.517 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.018 14.573 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.393 16.342 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.570 15.496 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.902 13.699 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.823 14.429 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.538 14.988 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.376 16.443 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.709 16.250 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.342 16.384 7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.094 14.877 7.956 1.00 0.00 H new ATOM 1274 N LYS A 78 6.221 14.592 7.920 1.00 0.00 N ATOM 1275 CA LYS A 78 7.522 13.984 8.083 1.00 0.00 C ATOM 1276 C LYS A 78 7.344 12.480 8.276 1.00 0.00 C ATOM 1277 O LYS A 78 7.628 11.694 7.370 1.00 0.00 O ATOM 1278 CB LYS A 78 8.258 14.593 9.278 1.00 0.00 C ATOM 1279 CG LYS A 78 9.766 14.618 9.108 1.00 0.00 C ATOM 1280 CD LYS A 78 10.197 15.717 8.149 1.00 0.00 C ATOM 1281 CE LYS A 78 11.696 15.686 7.901 1.00 0.00 C ATOM 1282 NZ LYS A 78 12.106 14.486 7.126 1.00 0.00 N ATOM 0 H LYS A 78 5.850 15.041 8.757 1.00 0.00 H new ATOM 0 HA LYS A 78 8.122 14.170 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.901 15.611 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.010 14.026 10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.241 14.772 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.108 13.653 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.668 15.603 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.915 16.688 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.993 16.585 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.222 15.699 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.094 14.592 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.019 13.640 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.493 14.385 6.292 1.00 0.00 H new ATOM 1296 N ARG A 79 6.839 12.101 9.452 1.00 0.00 N ATOM 1297 CA ARG A 79 6.542 10.711 9.786 1.00 0.00 C ATOM 1298 C ARG A 79 7.695 9.784 9.425 1.00 0.00 C ATOM 1299 O ARG A 79 7.541 8.858 8.620 1.00 0.00 O ATOM 1300 CB ARG A 79 5.269 10.240 9.087 1.00 0.00 C ATOM 1301 CG ARG A 79 4.014 11.052 9.396 1.00 0.00 C ATOM 1302 CD ARG A 79 3.651 11.045 10.878 1.00 0.00 C ATOM 1303 NE ARG A 79 2.280 11.513 11.088 1.00 0.00 N ATOM 1304 CZ ARG A 79 1.910 12.387 12.023 1.00 0.00 C ATOM 1305 NH1 ARG A 79 2.811 12.956 12.813 1.00 0.00 N ATOM 1306 NH2 ARG A 79 0.628 12.699 12.153 1.00 0.00 N ATOM 0 H ARG A 79 6.624 12.757 10.203 1.00 0.00 H new ATOM 0 HA ARG A 79 6.394 10.670 10.865 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.438 10.259 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.086 9.201 9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.164 12.081 9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.179 10.653 8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.759 10.036 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.344 11.682 11.428 1.00 0.00 H new ATOM 0 HE ARG A 79 1.555 11.143 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.799 12.726 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.516 13.624 13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.066 12.271 11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.335 13.367 12.866 1.00 0.00 H new ATOM 1320 N LYS A 80 8.839 10.019 10.036 1.00 0.00 N ATOM 1321 CA LYS A 80 10.037 9.247 9.738 1.00 0.00 C ATOM 1322 C LYS A 80 10.703 8.771 11.024 1.00 0.00 C ATOM 1323 O LYS A 80 11.505 9.491 11.618 1.00 0.00 O ATOM 1324 CB LYS A 80 11.039 10.071 8.918 1.00 0.00 C ATOM 1325 CG LYS A 80 10.548 10.481 7.535 1.00 0.00 C ATOM 1326 CD LYS A 80 10.175 9.275 6.684 1.00 0.00 C ATOM 1327 CE LYS A 80 9.875 9.668 5.243 1.00 0.00 C ATOM 1328 NZ LYS A 80 8.805 10.698 5.143 1.00 0.00 N ATOM 0 H LYS A 80 8.968 10.741 10.745 1.00 0.00 H new ATOM 0 HA LYS A 80 9.731 8.382 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.294 10.970 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.957 9.494 8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.682 11.135 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.324 11.056 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.991 8.552 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.304 8.782 7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.784 10.047 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.575 8.782 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.127 10.424 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.311 10.775 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.229 11.616 4.901 1.00 0.00 H new ATOM 1342 N PRO A 81 10.380 7.546 11.471 1.00 0.00 N ATOM 1343 CA PRO A 81 10.985 6.947 12.668 1.00 0.00 C ATOM 1344 C PRO A 81 12.487 6.712 12.501 1.00 0.00 C ATOM 1345 O PRO A 81 13.198 6.459 13.476 1.00 0.00 O ATOM 1346 CB PRO A 81 10.252 5.609 12.827 1.00 0.00 C ATOM 1347 CG PRO A 81 9.028 5.724 11.983 1.00 0.00 C ATOM 1348 CD PRO A 81 9.382 6.656 10.860 1.00 0.00 C ATOM 0 HA PRO A 81 10.887 7.600 13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.877 4.778 12.501 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.994 5.424 13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 8.726 4.749 11.600 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.190 6.112 12.562 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.790 6.119 10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.512 7.209 10.505 1.00 0.00 H new ATOM 1356 N GLN A 82 12.955 6.791 11.257 1.00 0.00 N ATOM 1357 CA GLN A 82 14.375 6.666 10.945 1.00 0.00 C ATOM 1358 C GLN A 82 15.185 7.725 11.688 1.00 0.00 C ATOM 1359 O GLN A 82 16.324 7.486 12.091 1.00 0.00 O ATOM 1360 CB GLN A 82 14.600 6.813 9.438 1.00 0.00 C ATOM 1361 CG GLN A 82 16.048 6.627 9.017 1.00 0.00 C ATOM 1362 CD GLN A 82 16.284 6.959 7.558 1.00 0.00 C ATOM 1363 OE1 GLN A 82 15.402 6.792 6.715 1.00 0.00 O ATOM 1364 NE2 GLN A 82 17.474 7.446 7.253 1.00 0.00 N ATOM 0 H GLN A 82 12.362 6.943 10.441 1.00 0.00 H new ATOM 0 HA GLN A 82 14.708 5.679 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.982 6.084 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.263 7.801 9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.685 7.259 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.346 5.595 9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.177 7.569 7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.690 7.699 6.289 1.00 0.00 H new ATOM 1373 N ALA A 83 14.590 8.893 11.865 1.00 0.00 N ATOM 1374 CA ALA A 83 15.246 9.977 12.571 1.00 0.00 C ATOM 1375 C ALA A 83 15.132 9.768 14.075 1.00 0.00 C ATOM 1376 O ALA A 83 14.068 10.090 14.645 1.00 0.00 O ATOM 1377 CB ALA A 83 14.654 11.315 12.159 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.102 9.267 14.683 1.00 0.00 O ATOM 0 H ALA A 83 13.653 9.113 11.528 1.00 0.00 H new ATOM 0 HA ALA A 83 16.303 9.982 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.158 12.117 12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.789 11.458 11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.590 11.331 12.396 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 2.501 -6.569 -11.381 1.00 0.00 N ATOM 1386 CA LYS B 201 2.562 -5.088 -11.327 1.00 0.00 C ATOM 1387 C LYS B 201 3.343 -4.634 -10.100 1.00 0.00 C ATOM 1388 O LYS B 201 4.378 -3.980 -10.214 1.00 0.00 O ATOM 1389 CB LYS B 201 1.152 -4.488 -11.271 1.00 0.00 C ATOM 1390 CG LYS B 201 0.235 -4.934 -12.399 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.152 -4.329 -12.251 1.00 0.00 C ATOM 1392 CE LYS B 201 -2.126 -4.891 -13.275 1.00 0.00 C ATOM 1393 NZ LYS B 201 -1.756 -4.529 -14.666 1.00 0.00 N ATOM 0 HA LYS B 201 3.064 -4.741 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS B 201 0.694 -4.756 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS B 201 1.232 -3.401 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.663 -4.639 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS B 201 0.162 -6.022 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.528 -4.524 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -1.090 -3.247 -12.364 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -2.161 -5.976 -13.182 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -3.128 -4.521 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -2.477 -4.891 -15.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -1.699 -3.494 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -0.833 -4.947 -14.900 1.00 0.00 H new ATOM 1409 N TRP B 202 2.838 -4.995 -8.929 1.00 0.00 N ATOM 1410 CA TRP B 202 3.449 -4.620 -7.663 1.00 0.00 C ATOM 1411 C TRP B 202 4.017 -5.869 -6.993 1.00 0.00 C ATOM 1412 O TRP B 202 3.989 -6.021 -5.774 1.00 0.00 O ATOM 1413 CB TRP B 202 2.391 -3.946 -6.781 1.00 0.00 C ATOM 1414 CG TRP B 202 2.938 -3.228 -5.586 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.162 -2.639 -5.466 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.259 -3.001 -4.351 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.292 -2.069 -4.223 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.135 -2.276 -3.520 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.997 -3.342 -3.865 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.788 -1.888 -2.230 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.656 -2.951 -2.583 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.545 -2.233 -1.782 1.00 0.00 C ATOM 0 H TRP B 202 1.992 -5.557 -8.830 1.00 0.00 H new ATOM 0 HA TRP B 202 4.266 -3.916 -7.822 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.829 -3.236 -7.389 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.685 -4.703 -6.441 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.919 -2.623 -6.236 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.115 -1.573 -3.880 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.302 -3.899 -4.476 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.475 -1.335 -1.607 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.318 -3.207 -2.194 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.243 -1.944 -0.786 1.00 0.00 H new ATOM 1433 N THR B 203 4.543 -6.754 -7.829 1.00 0.00 N ATOM 1434 CA THR B 203 5.003 -8.067 -7.408 1.00 0.00 C ATOM 1435 C THR B 203 6.327 -7.973 -6.625 1.00 0.00 C ATOM 1436 O THR B 203 6.744 -6.878 -6.235 1.00 0.00 O ATOM 1437 CB THR B 203 5.154 -8.968 -8.652 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.198 -8.564 -9.647 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.921 -10.435 -8.317 1.00 0.00 C ATOM 0 H THR B 203 4.663 -6.578 -8.826 1.00 0.00 H new ATOM 0 HA THR B 203 4.267 -8.504 -6.733 1.00 0.00 H new ATOM 0 HB THR B 203 6.173 -8.858 -9.024 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.291 -9.132 -10.440 1.00 0.00 H new ATOM 0 HG21 THR B 203 5.036 -11.037 -9.218 1.00 0.00 H new ATOM 0 HG22 THR B 203 5.647 -10.757 -7.570 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.913 -10.562 -7.922 1.00 0.00 H new ATOM 1447 N LEU B 204 6.967 -9.129 -6.397 1.00 0.00 N ATOM 1448 CA LEU B 204 8.179 -9.238 -5.574 1.00 0.00 C ATOM 1449 C LEU B 204 9.158 -8.089 -5.797 1.00 0.00 C ATOM 1450 O LEU B 204 9.555 -7.431 -4.841 1.00 0.00 O ATOM 1451 CB LEU B 204 8.904 -10.567 -5.827 1.00 0.00 C ATOM 1452 CG LEU B 204 8.269 -11.812 -5.193 1.00 0.00 C ATOM 1453 CD1 LEU B 204 7.055 -12.275 -5.983 1.00 0.00 C ATOM 1454 CD2 LEU B 204 9.294 -12.931 -5.084 1.00 0.00 C ATOM 0 H LEU B 204 6.655 -10.021 -6.782 1.00 0.00 H new ATOM 0 HA LEU B 204 7.836 -9.192 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.967 -10.724 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU B 204 9.926 -10.477 -5.458 1.00 0.00 H new ATOM 0 HG LEU B 204 7.933 -11.546 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU B 204 6.628 -13.158 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU B 204 6.310 -11.479 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU B 204 7.356 -12.520 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.829 -13.807 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU B 204 9.661 -13.186 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU B 204 10.127 -12.602 -4.463 1.00 0.00 H new ATOM 1466 N GLU B 205 9.551 -7.852 -7.044 1.00 0.00 N ATOM 1467 CA GLU B 205 10.510 -6.792 -7.342 1.00 0.00 C ATOM 1468 C GLU B 205 10.083 -5.467 -6.722 1.00 0.00 C ATOM 1469 O GLU B 205 10.786 -4.919 -5.876 1.00 0.00 O ATOM 1470 CB GLU B 205 10.699 -6.633 -8.850 1.00 0.00 C ATOM 1471 CG GLU B 205 11.574 -7.707 -9.464 1.00 0.00 C ATOM 1472 CD GLU B 205 12.963 -7.721 -8.863 1.00 0.00 C ATOM 1473 OE1 GLU B 205 13.773 -6.838 -9.213 1.00 0.00 O ATOM 1474 OE2 GLU B 205 13.248 -8.613 -8.035 1.00 0.00 O ATOM 0 H GLU B 205 9.225 -8.373 -7.858 1.00 0.00 H new ATOM 0 HA GLU B 205 11.464 -7.082 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.723 -6.649 -9.335 1.00 0.00 H new ATOM 0 HB3 GLU B 205 11.139 -5.657 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.107 -8.681 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU B 205 11.646 -7.544 -10.539 1.00 0.00 H new ATOM 1481 N ARG B 206 8.915 -4.983 -7.110 1.00 0.00 N ATOM 1482 CA ARG B 206 8.431 -3.700 -6.628 1.00 0.00 C ATOM 1483 C ARG B 206 8.329 -3.676 -5.104 1.00 0.00 C ATOM 1484 O ARG B 206 9.088 -2.971 -4.432 1.00 0.00 O ATOM 1485 CB ARG B 206 7.071 -3.376 -7.246 1.00 0.00 C ATOM 1486 CG ARG B 206 7.119 -3.103 -8.740 1.00 0.00 C ATOM 1487 CD ARG B 206 7.845 -1.803 -9.036 1.00 0.00 C ATOM 1488 NE ARG B 206 7.840 -1.478 -10.459 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.265 -0.317 -10.955 1.00 0.00 C ATOM 1490 NH1 ARG B 206 8.741 0.620 -10.145 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.211 -0.094 -12.259 1.00 0.00 N ATOM 0 H ARG B 206 8.285 -5.458 -7.756 1.00 0.00 H new ATOM 0 HA ARG B 206 9.153 -2.942 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.392 -4.208 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.653 -2.505 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.621 -3.927 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG B 206 6.105 -3.055 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG B 206 7.376 -0.992 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG B 206 8.875 -1.876 -8.686 1.00 0.00 H new ATOM 0 HE ARG B 206 7.491 -2.180 -11.111 1.00 0.00 H new ATOM 0 HH11 ARG B 206 8.782 0.452 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG B 206 9.066 1.508 -10.528 1.00 0.00 H new ATOM 0 HH21 ARG B 206 7.844 -0.811 -12.884 1.00 0.00 H new ATOM 0 HH22 ARG B 206 8.537 0.795 -12.638 1.00 0.00 H new ATOM 1505 N LEU B 207 7.417 -4.466 -4.556 1.00 0.00 N ATOM 1506 CA LEU B 207 7.143 -4.411 -3.129 1.00 0.00 C ATOM 1507 C LEU B 207 8.289 -4.990 -2.314 1.00 0.00 C ATOM 1508 O LEU B 207 8.936 -4.265 -1.574 1.00 0.00 O ATOM 1509 CB LEU B 207 5.835 -5.126 -2.789 1.00 0.00 C ATOM 1510 CG LEU B 207 5.447 -5.111 -1.304 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.507 -3.703 -0.733 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.058 -5.676 -1.136 1.00 0.00 C ATOM 0 H LEU B 207 6.859 -5.146 -5.073 1.00 0.00 H new ATOM 0 HA LEU B 207 7.040 -3.359 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.030 -4.668 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.910 -6.163 -3.118 1.00 0.00 H new ATOM 0 HG LEU B 207 6.161 -5.727 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.227 -3.725 0.320 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.520 -3.314 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.817 -3.059 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.786 -5.664 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.348 -5.071 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.035 -6.701 -1.505 1.00 0.00 H new ATOM 1524 N LYS B 208 8.556 -6.282 -2.477 1.00 0.00 N ATOM 1525 CA LYS B 208 9.531 -6.980 -1.635 1.00 0.00 C ATOM 1526 C LYS B 208 10.890 -6.284 -1.639 1.00 0.00 C ATOM 1527 O LYS B 208 11.499 -6.098 -0.583 1.00 0.00 O ATOM 1528 CB LYS B 208 9.713 -8.431 -2.093 1.00 0.00 C ATOM 1529 CG LYS B 208 10.624 -9.244 -1.181 1.00 0.00 C ATOM 1530 CD LYS B 208 9.879 -9.745 0.041 1.00 0.00 C ATOM 1531 CE LYS B 208 8.933 -10.876 -0.319 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.657 -12.139 -0.624 1.00 0.00 N ATOM 0 H LYS B 208 8.113 -6.870 -3.183 1.00 0.00 H new ATOM 0 HA LYS B 208 9.133 -6.963 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.737 -8.914 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.123 -8.437 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.032 -10.091 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS B 208 11.469 -8.631 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.593 -10.089 0.790 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.317 -8.926 0.489 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.242 -11.046 0.507 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.334 -10.585 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.977 -12.924 -0.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 10.153 -12.044 -1.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.348 -12.334 0.129 1.00 0.00 H new ATOM 1546 N ARG B 209 11.356 -5.880 -2.817 1.00 0.00 N ATOM 1547 CA ARG B 209 12.704 -5.341 -2.941 1.00 0.00 C ATOM 1548 C ARG B 209 12.773 -3.910 -2.417 1.00 0.00 C ATOM 1549 O ARG B 209 13.836 -3.435 -2.032 1.00 0.00 O ATOM 1550 CB ARG B 209 13.193 -5.406 -4.393 1.00 0.00 C ATOM 1551 CG ARG B 209 13.615 -6.796 -4.877 1.00 0.00 C ATOM 1552 CD ARG B 209 12.564 -7.871 -4.605 1.00 0.00 C ATOM 1553 NE ARG B 209 12.750 -9.051 -5.449 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.854 -10.299 -4.992 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.931 -10.535 -3.685 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.908 -11.313 -5.848 1.00 0.00 N ATOM 0 H ARG B 209 10.827 -5.915 -3.688 1.00 0.00 H new ATOM 0 HA ARG B 209 13.364 -5.959 -2.332 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.400 -5.038 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.039 -4.727 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.816 -6.756 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.548 -7.077 -4.388 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.611 -8.165 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.570 -7.457 -4.776 1.00 0.00 H new ATOM 0 HE ARG B 209 12.804 -8.909 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.911 -9.758 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.010 -11.493 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.870 -11.136 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.988 -12.269 -5.502 1.00 0.00 H new ATOM 1570 N LYS B 210 11.642 -3.215 -2.402 1.00 0.00 N ATOM 1571 CA LYS B 210 11.600 -1.877 -1.820 1.00 0.00 C ATOM 1572 C LYS B 210 11.122 -1.928 -0.369 1.00 0.00 C ATOM 1573 O LYS B 210 11.177 -0.930 0.353 1.00 0.00 O ATOM 1574 CB LYS B 210 10.712 -0.948 -2.653 1.00 0.00 C ATOM 1575 CG LYS B 210 11.412 -0.351 -3.873 1.00 0.00 C ATOM 1576 CD LYS B 210 11.890 -1.418 -4.847 1.00 0.00 C ATOM 1577 CE LYS B 210 12.704 -0.822 -5.983 1.00 0.00 C ATOM 1578 NZ LYS B 210 11.884 0.053 -6.862 1.00 0.00 N ATOM 0 H LYS B 210 10.755 -3.548 -2.779 1.00 0.00 H new ATOM 0 HA LYS B 210 12.613 -1.474 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS B 210 9.834 -1.502 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.355 -0.137 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.728 0.325 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS B 210 12.263 0.245 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.494 -2.152 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS B 210 11.030 -1.948 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.533 -0.246 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.139 -1.626 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 12.463 0.383 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 11.069 -0.483 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 11.545 0.872 -6.318 1.00 0.00 H new ATOM 1592 N TYR B 211 10.663 -3.098 0.051 1.00 0.00 N ATOM 1593 CA TYR B 211 10.182 -3.307 1.411 1.00 0.00 C ATOM 1594 C TYR B 211 11.313 -3.814 2.297 1.00 0.00 C ATOM 1595 O TYR B 211 11.726 -3.143 3.245 1.00 0.00 O ATOM 1596 CB TYR B 211 9.022 -4.316 1.407 1.00 0.00 C ATOM 1597 CG TYR B 211 8.344 -4.526 2.747 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.036 -4.116 2.942 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.003 -5.135 3.812 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.403 -4.302 4.158 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.377 -5.323 5.029 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.078 -4.902 5.197 1.00 0.00 C ATOM 1603 OH TYR B 211 6.446 -5.088 6.407 1.00 0.00 O ATOM 0 H TYR B 211 10.613 -3.928 -0.539 1.00 0.00 H new ATOM 0 HA TYR B 211 9.825 -2.357 1.809 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.274 -3.982 0.688 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.398 -5.276 1.054 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.501 -3.643 2.132 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.023 -5.467 3.684 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.382 -3.977 4.292 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.904 -5.798 5.844 1.00 0.00 H new ATOM 0 HH TYR B 211 7.060 -5.526 7.033 1.00 0.00 H new ATOM 1613 N ARG B 212 11.818 -4.998 1.971 1.00 0.00 N ATOM 1614 CA ARG B 212 12.823 -5.654 2.796 1.00 0.00 C ATOM 1615 C ARG B 212 14.188 -5.012 2.587 1.00 0.00 C ATOM 1616 O ARG B 212 14.947 -4.818 3.535 1.00 0.00 O ATOM 1617 CB ARG B 212 12.896 -7.150 2.469 1.00 0.00 C ATOM 1618 CG ARG B 212 13.775 -7.938 3.430 1.00 0.00 C ATOM 1619 CD ARG B 212 13.134 -8.054 4.804 1.00 0.00 C ATOM 1620 NE ARG B 212 14.067 -8.556 5.814 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.741 -9.438 6.759 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.563 -10.048 6.729 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.613 -9.754 7.708 1.00 0.00 N ATOM 0 H ARG B 212 11.547 -5.523 1.140 1.00 0.00 H new ATOM 0 HA ARG B 212 12.534 -5.536 3.840 1.00 0.00 H new ATOM 0 HB2 ARG B 212 11.889 -7.567 2.485 1.00 0.00 H new ATOM 0 HB3 ARG B 212 13.277 -7.274 1.455 1.00 0.00 H new ATOM 0 HG2 ARG B 212 13.955 -8.934 3.026 1.00 0.00 H new ATOM 0 HG3 ARG B 212 14.746 -7.450 3.520 1.00 0.00 H new ATOM 0 HD2 ARG B 212 12.761 -7.077 5.112 1.00 0.00 H new ATOM 0 HD3 ARG B 212 12.273 -8.720 4.745 1.00 0.00 H new ATOM 0 HE ARG B 212 15.026 -8.209 5.793 1.00 0.00 H new ATOM 0 HH11 ARG B 212 11.901 -9.843 5.980 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.319 -10.722 7.455 1.00 0.00 H new ATOM 0 HH21 ARG B 212 15.537 -9.322 7.716 1.00 0.00 H new ATOM 0 HH22 ARG B 212 14.359 -10.429 8.429 1.00 0.00 H new ATOM 1637 N ASN B 213 14.489 -4.680 1.342 1.00 0.00 N ATOM 1638 CA ASN B 213 15.768 -4.077 1.007 1.00 0.00 C ATOM 1639 C ASN B 213 15.692 -2.566 1.192 1.00 0.00 C ATOM 1640 O ASN B 213 15.562 -1.843 0.186 1.00 0.00 O ATOM 1641 CB ASN B 213 16.172 -4.411 -0.437 1.00 0.00 C ATOM 1642 CG ASN B 213 16.409 -5.894 -0.676 1.00 0.00 C ATOM 1643 OD1 ASN B 213 15.826 -6.754 -0.013 1.00 0.00 O ATOM 1644 ND2 ASN B 213 17.259 -6.206 -1.640 1.00 0.00 N ATOM 1645 OXT ASN B 213 15.730 -2.107 2.353 1.00 0.00 O ATOM 0 H ASN B 213 13.865 -4.818 0.547 1.00 0.00 H new ATOM 0 HA ASN B 213 16.526 -4.485 1.675 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.391 -4.063 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN B 213 17.079 -3.862 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN B 213 17.450 -7.185 -1.855 1.00 0.00 H new ATOM 0 HD22 ASN B 213 17.724 -5.468 -2.169 1.00 0.00 H new TER 1652 ASN B 213