USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 16 TYR OH : rot -161:sc= 2.18 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 139:sc= -1.36! (180deg=-5.09!) USER MOD Set 2.1: A 3 THR OG1 : rot 169:sc= 0.237 USER MOD Set 2.2: A 9 TYR OH : rot -101:sc= 1.38 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -117:sc= 0.214 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -140:sc= -1.92! USER MOD Single : A 11 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.5!) USER MOD Single : A 12 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.32) USER MOD Single : A 13 SER OG : rot -128:sc= -1.77! USER MOD Single : A 19 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-0.41) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.1) USER MOD Single : A 28 CYS SG : rot -18:sc= -3.62! USER MOD Single : A 31 MET CE :methyl 154:sc= -2.14 (180deg=-3.66) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.373 (180deg=0.0174) USER MOD Single : A 41 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.984) USER MOD Single : A 68 SER OG : rot 88:sc= -0.0394 USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 71 MET CE :methyl -151:sc= -0.261 (180deg=-2.4) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 39:sc= 0.754 USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= -0.0065 (180deg=-0.157) USER MOD Single : A 78 CYS SG : rot -33:sc= 0.024 USER MOD Single : A 79 TYR OH : rot -174:sc= 0.155 USER MOD Single : A 81 THR OG1 : rot -75:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 4.784 5.827 -11.532 1.00 0.00 N ATOM 2 CA HIS A 1 3.688 6.536 -10.894 1.00 0.00 C ATOM 3 C HIS A 1 4.157 7.106 -9.583 1.00 0.00 C ATOM 4 O HIS A 1 5.288 6.841 -9.163 1.00 0.00 O ATOM 5 CB HIS A 1 2.483 5.608 -10.631 1.00 0.00 C ATOM 6 CG HIS A 1 1.682 5.207 -11.835 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.491 5.808 -12.193 1.00 0.00 N ATOM 8 CD2 HIS A 1 1.881 4.212 -12.732 1.00 0.00 C ATOM 9 CE1 HIS A 1 0.013 5.175 -13.264 1.00 0.00 C ATOM 10 NE2 HIS A 1 0.820 4.192 -13.634 1.00 0.00 N ATOM 0 H1 HIS A 1 5.020 6.291 -12.432 1.00 0.00 H new ATOM 0 H2 HIS A 1 5.616 5.839 -10.908 1.00 0.00 H new ATOM 0 H3 HIS A 1 4.502 4.843 -11.713 1.00 0.00 H new ATOM 0 HA HIS A 1 3.369 7.331 -11.568 1.00 0.00 H new ATOM 0 HB2 HIS A 1 2.847 4.703 -10.144 1.00 0.00 H new ATOM 0 HB3 HIS A 1 1.816 6.103 -9.925 1.00 0.00 H new ATOM 0 HD2 HIS A 1 2.727 3.541 -12.746 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.910 5.430 -13.764 1.00 0.00 H new ATOM 0 HE2 HIS A 1 0.691 3.552 -14.418 1.00 0.00 H new ATOM 18 N MET A 2 3.298 7.900 -8.961 1.00 0.00 N ATOM 19 CA MET A 2 3.521 8.509 -7.660 1.00 0.00 C ATOM 20 C MET A 2 2.275 9.237 -7.236 1.00 0.00 C ATOM 21 O MET A 2 1.731 10.048 -7.989 1.00 0.00 O ATOM 22 CB MET A 2 4.715 9.480 -7.632 1.00 0.00 C ATOM 23 CG MET A 2 4.678 10.586 -8.682 1.00 0.00 C ATOM 24 SD MET A 2 6.061 11.740 -8.533 1.00 0.00 S ATOM 25 CE MET A 2 5.716 12.841 -9.911 1.00 0.00 C ATOM 0 H MET A 2 2.394 8.146 -9.364 1.00 0.00 H new ATOM 0 HA MET A 2 3.760 7.701 -6.969 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.766 9.940 -6.645 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.632 8.906 -7.764 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.690 10.138 -9.676 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.741 11.135 -8.591 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.482 13.615 -9.959 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.717 12.272 -10.841 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.740 13.305 -9.771 1.00 0.00 H new ATOM 35 N THR A 3 1.798 8.940 -6.076 1.00 0.00 N ATOM 36 CA THR A 3 0.645 9.611 -5.591 1.00 0.00 C ATOM 37 C THR A 3 0.917 10.245 -4.253 1.00 0.00 C ATOM 38 O THR A 3 1.567 9.655 -3.368 1.00 0.00 O ATOM 39 CB THR A 3 -0.595 8.700 -5.522 1.00 0.00 C ATOM 40 OG1 THR A 3 -1.745 9.478 -5.140 1.00 0.00 O ATOM 41 CG2 THR A 3 -0.397 7.572 -4.519 1.00 0.00 C ATOM 0 H THR A 3 2.189 8.238 -5.448 1.00 0.00 H new ATOM 0 HA THR A 3 0.416 10.395 -6.313 1.00 0.00 H new ATOM 0 HB THR A 3 -0.748 8.262 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.558 8.946 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.290 6.947 -4.494 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.461 6.968 -4.815 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.220 7.992 -3.529 1.00 0.00 H new ATOM 49 N PHE A 4 0.487 11.464 -4.140 1.00 0.00 N ATOM 50 CA PHE A 4 0.607 12.233 -2.932 1.00 0.00 C ATOM 51 C PHE A 4 -0.749 12.867 -2.643 1.00 0.00 C ATOM 52 O PHE A 4 -0.858 13.884 -1.961 1.00 0.00 O ATOM 53 CB PHE A 4 1.685 13.308 -3.115 1.00 0.00 C ATOM 54 CG PHE A 4 2.995 12.721 -3.532 1.00 0.00 C ATOM 55 CD1 PHE A 4 3.761 12.021 -2.626 1.00 0.00 C ATOM 56 CD2 PHE A 4 3.429 12.811 -4.842 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.935 11.430 -3.008 1.00 0.00 C ATOM 58 CE2 PHE A 4 4.599 12.210 -5.231 1.00 0.00 C ATOM 59 CZ PHE A 4 5.352 11.519 -4.308 1.00 0.00 C ATOM 0 H PHE A 4 0.031 11.967 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 4 0.901 11.600 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.356 14.028 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.814 13.855 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.431 11.937 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.842 13.359 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.531 10.894 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.928 12.278 -6.257 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.274 11.046 -4.611 1.00 0.00 H new ATOM 69 N CYS A 5 -1.784 12.221 -3.135 1.00 0.00 N ATOM 70 CA CYS A 5 -3.143 12.663 -2.937 1.00 0.00 C ATOM 71 C CYS A 5 -3.953 11.508 -2.357 1.00 0.00 C ATOM 72 O CYS A 5 -4.327 10.606 -3.085 1.00 0.00 O ATOM 73 CB CYS A 5 -3.730 13.113 -4.275 1.00 0.00 C ATOM 74 SG CYS A 5 -2.796 14.430 -5.087 1.00 0.00 S ATOM 0 H CYS A 5 -1.703 11.368 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 5 -3.173 13.505 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.782 12.254 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.753 13.454 -4.114 1.00 0.00 H new ATOM 0 HG CYS A 5 -3.370 14.739 -6.212 1.00 0.00 H new ATOM 80 N LEU A 6 -4.196 11.524 -1.041 1.00 0.00 N ATOM 81 CA LEU A 6 -4.905 10.410 -0.407 1.00 0.00 C ATOM 82 C LEU A 6 -6.421 10.543 -0.491 1.00 0.00 C ATOM 83 O LEU A 6 -7.125 9.644 -0.917 1.00 0.00 O ATOM 84 CB LEU A 6 -4.437 10.171 1.077 1.00 0.00 C ATOM 85 CG LEU A 6 -4.802 11.146 2.237 1.00 0.00 C ATOM 86 CD1 LEU A 6 -4.510 12.612 1.951 1.00 0.00 C ATOM 87 CD2 LEU A 6 -6.219 10.924 2.755 1.00 0.00 C ATOM 0 H LEU A 6 -3.920 12.276 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.634 9.526 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.809 9.188 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.349 10.106 1.054 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.117 10.884 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.796 13.215 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.445 12.740 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.080 12.933 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.426 11.627 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.931 11.082 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.314 9.904 3.129 1.00 0.00 H new ATOM 99 N GLU A 7 -6.901 11.723 -0.189 1.00 0.00 N ATOM 100 CA GLU A 7 -8.314 11.993 -0.126 1.00 0.00 C ATOM 101 C GLU A 7 -8.922 12.044 -1.523 1.00 0.00 C ATOM 102 O GLU A 7 -10.142 11.961 -1.713 1.00 0.00 O ATOM 103 CB GLU A 7 -8.524 13.260 0.706 1.00 0.00 C ATOM 104 CG GLU A 7 -9.935 13.784 0.797 1.00 0.00 C ATOM 105 CD GLU A 7 -10.002 15.012 1.650 1.00 0.00 C ATOM 106 OE1 GLU A 7 -9.582 16.092 1.187 1.00 0.00 O ATOM 107 OE2 GLU A 7 -10.475 14.933 2.784 1.00 0.00 O ATOM 0 H GLU A 7 -6.315 12.531 0.022 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.848 11.185 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.167 13.066 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.895 14.048 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.307 14.011 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.586 13.014 1.212 1.00 0.00 H new ATOM 114 N THR A 8 -8.059 12.092 -2.489 1.00 0.00 N ATOM 115 CA THR A 8 -8.447 12.090 -3.844 1.00 0.00 C ATOM 116 C THR A 8 -8.919 10.678 -4.227 1.00 0.00 C ATOM 117 O THR A 8 -9.784 10.520 -5.079 1.00 0.00 O ATOM 118 CB THR A 8 -7.277 12.567 -4.694 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.812 13.803 -4.114 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.706 12.823 -6.129 1.00 0.00 C ATOM 0 H THR A 8 -7.050 12.134 -2.344 1.00 0.00 H new ATOM 0 HA THR A 8 -9.279 12.772 -4.018 1.00 0.00 H new ATOM 0 HB THR A 8 -6.498 11.805 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.581 14.433 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.848 13.162 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.096 11.902 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.482 13.589 -6.146 1.00 0.00 H new ATOM 128 N TYR A 9 -8.411 9.661 -3.518 1.00 0.00 N ATOM 129 CA TYR A 9 -8.833 8.293 -3.754 1.00 0.00 C ATOM 130 C TYR A 9 -10.215 8.092 -3.231 1.00 0.00 C ATOM 131 O TYR A 9 -11.007 7.353 -3.815 1.00 0.00 O ATOM 132 CB TYR A 9 -7.880 7.268 -3.163 1.00 0.00 C ATOM 133 CG TYR A 9 -6.636 7.113 -3.968 1.00 0.00 C ATOM 134 CD1 TYR A 9 -6.676 6.446 -5.179 1.00 0.00 C ATOM 135 CD2 TYR A 9 -5.435 7.639 -3.544 1.00 0.00 C ATOM 136 CE1 TYR A 9 -5.553 6.304 -5.945 1.00 0.00 C ATOM 137 CE2 TYR A 9 -4.303 7.506 -4.308 1.00 0.00 C ATOM 138 CZ TYR A 9 -4.368 6.834 -5.507 1.00 0.00 C ATOM 139 OH TYR A 9 -3.236 6.704 -6.284 1.00 0.00 O ATOM 0 H TYR A 9 -7.712 9.769 -2.783 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.823 8.134 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.617 7.565 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.386 6.305 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.611 6.030 -5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.384 8.162 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.599 5.779 -6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.367 7.926 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.682 5.975 -5.935 1.00 0.00 H new ATOM 149 N LEU A 10 -10.521 8.796 -2.157 1.00 0.00 N ATOM 150 CA LEU A 10 -11.835 8.764 -1.562 1.00 0.00 C ATOM 151 C LEU A 10 -12.838 9.313 -2.570 1.00 0.00 C ATOM 152 O LEU A 10 -13.898 8.731 -2.794 1.00 0.00 O ATOM 153 CB LEU A 10 -11.849 9.594 -0.268 1.00 0.00 C ATOM 154 CG LEU A 10 -13.189 9.699 0.470 1.00 0.00 C ATOM 155 CD1 LEU A 10 -13.678 8.331 0.912 1.00 0.00 C ATOM 156 CD2 LEU A 10 -13.068 10.633 1.663 1.00 0.00 C ATOM 0 H LEU A 10 -9.861 9.406 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.106 7.740 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.116 9.168 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.513 10.603 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.923 10.112 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.630 8.436 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.810 7.692 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.945 7.882 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.028 10.696 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.314 10.249 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.774 11.625 1.320 1.00 0.00 H new ATOM 168 N GLN A 11 -12.432 10.388 -3.248 1.00 0.00 N ATOM 169 CA GLN A 11 -13.253 11.034 -4.253 1.00 0.00 C ATOM 170 C GLN A 11 -13.418 10.127 -5.452 1.00 0.00 C ATOM 171 O GLN A 11 -14.420 10.190 -6.166 1.00 0.00 O ATOM 172 CB GLN A 11 -12.637 12.372 -4.692 1.00 0.00 C ATOM 173 CG GLN A 11 -12.526 13.438 -3.597 1.00 0.00 C ATOM 174 CD GLN A 11 -13.870 13.876 -3.018 1.00 0.00 C ATOM 175 OE1 GLN A 11 -14.825 13.105 -2.934 1.00 0.00 O ATOM 176 NE2 GLN A 11 -13.960 15.110 -2.630 1.00 0.00 N ATOM 0 H GLN A 11 -11.523 10.829 -3.110 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.231 11.233 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.641 12.180 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -13.234 12.776 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.903 13.052 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.016 14.311 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.154 15.730 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.837 15.461 -2.245 1.00 0.00 H new ATOM 185 N GLN A 12 -12.443 9.277 -5.664 1.00 0.00 N ATOM 186 CA GLN A 12 -12.493 8.329 -6.743 1.00 0.00 C ATOM 187 C GLN A 12 -13.394 7.148 -6.382 1.00 0.00 C ATOM 188 O GLN A 12 -14.244 6.736 -7.178 1.00 0.00 O ATOM 189 CB GLN A 12 -11.093 7.844 -7.137 1.00 0.00 C ATOM 190 CG GLN A 12 -10.195 8.942 -7.694 1.00 0.00 C ATOM 191 CD GLN A 12 -8.774 8.483 -7.990 1.00 0.00 C ATOM 192 OE1 GLN A 12 -7.824 9.271 -7.894 1.00 0.00 O ATOM 193 NE2 GLN A 12 -8.608 7.235 -8.370 1.00 0.00 N ATOM 0 H GLN A 12 -11.598 9.225 -5.095 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.918 8.838 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.613 7.403 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.189 7.054 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.639 9.332 -8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.160 9.766 -6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.412 6.612 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.675 6.891 -8.596 1.00 0.00 H new ATOM 202 N SER A 13 -13.232 6.619 -5.181 1.00 0.00 N ATOM 203 CA SER A 13 -13.996 5.466 -4.737 1.00 0.00 C ATOM 204 C SER A 13 -14.026 5.372 -3.217 1.00 0.00 C ATOM 205 O SER A 13 -15.059 5.603 -2.590 1.00 0.00 O ATOM 206 CB SER A 13 -13.430 4.156 -5.336 1.00 0.00 C ATOM 207 OG SER A 13 -13.413 4.188 -6.762 1.00 0.00 O ATOM 0 H SER A 13 -12.571 6.974 -4.490 1.00 0.00 H new ATOM 0 HA SER A 13 -15.017 5.600 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.418 3.994 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.032 3.312 -4.999 1.00 0.00 H new ATOM 0 HG SER A 13 -13.857 3.388 -7.112 1.00 0.00 H new ATOM 213 N GLY A 14 -12.897 5.090 -2.635 1.00 0.00 N ATOM 214 CA GLY A 14 -12.831 4.916 -1.222 1.00 0.00 C ATOM 215 C GLY A 14 -11.485 5.264 -0.696 1.00 0.00 C ATOM 216 O GLY A 14 -10.574 5.522 -1.470 1.00 0.00 O ATOM 0 H GLY A 14 -12.009 4.976 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.584 5.540 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.066 3.882 -0.970 1.00 0.00 H new ATOM 220 N GLU A 15 -11.364 5.246 0.594 1.00 0.00 N ATOM 221 CA GLU A 15 -10.140 5.606 1.271 1.00 0.00 C ATOM 222 C GLU A 15 -9.258 4.352 1.455 1.00 0.00 C ATOM 223 O GLU A 15 -9.777 3.225 1.586 1.00 0.00 O ATOM 224 CB GLU A 15 -10.524 6.281 2.609 1.00 0.00 C ATOM 225 CG GLU A 15 -9.383 6.796 3.466 1.00 0.00 C ATOM 226 CD GLU A 15 -9.882 7.617 4.641 1.00 0.00 C ATOM 227 OE1 GLU A 15 -10.608 7.080 5.526 1.00 0.00 O ATOM 228 OE2 GLU A 15 -9.611 8.830 4.696 1.00 0.00 O ATOM 0 H GLU A 15 -12.120 4.978 1.224 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.548 6.312 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.189 7.117 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.096 5.565 3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.797 5.954 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.716 7.405 2.855 1.00 0.00 H new ATOM 235 N TYR A 16 -7.961 4.545 1.390 1.00 0.00 N ATOM 236 CA TYR A 16 -6.961 3.484 1.524 1.00 0.00 C ATOM 237 C TYR A 16 -5.811 4.044 2.366 1.00 0.00 C ATOM 238 O TYR A 16 -4.693 3.506 2.425 1.00 0.00 O ATOM 239 CB TYR A 16 -6.508 3.099 0.088 1.00 0.00 C ATOM 240 CG TYR A 16 -5.349 2.119 -0.066 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.400 0.824 0.442 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.200 2.508 -0.742 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.332 -0.048 0.276 1.00 0.00 C ATOM 244 CE2 TYR A 16 -3.142 1.647 -0.912 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.205 0.376 -0.411 1.00 0.00 C ATOM 246 OH TYR A 16 -2.119 -0.479 -0.585 1.00 0.00 O ATOM 0 H TYR A 16 -7.550 5.466 1.239 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.342 2.590 2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.370 2.679 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.238 4.018 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.281 0.493 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.136 3.509 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.379 -1.049 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.260 1.975 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.322 0.046 -0.808 1.00 0.00 H new ATOM 256 N GLU A 17 -6.155 5.077 3.110 1.00 0.00 N ATOM 257 CA GLU A 17 -5.231 5.822 3.898 1.00 0.00 C ATOM 258 C GLU A 17 -5.881 6.212 5.259 1.00 0.00 C ATOM 259 O GLU A 17 -7.058 5.948 5.497 1.00 0.00 O ATOM 260 CB GLU A 17 -4.816 7.106 3.127 1.00 0.00 C ATOM 261 CG GLU A 17 -4.277 6.898 1.697 1.00 0.00 C ATOM 262 CD GLU A 17 -5.376 6.744 0.633 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.575 6.981 0.954 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.042 6.394 -0.506 1.00 0.00 O ATOM 0 H GLU A 17 -7.114 5.419 3.175 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.349 5.211 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.680 7.768 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.053 7.623 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.644 7.745 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.645 6.010 1.683 1.00 0.00 H new ATOM 271 N ILE A 18 -5.117 6.847 6.163 1.00 0.00 N ATOM 272 CA ILE A 18 -5.671 7.260 7.428 1.00 0.00 C ATOM 273 C ILE A 18 -5.788 8.794 7.449 1.00 0.00 C ATOM 274 O ILE A 18 -6.108 9.405 8.455 1.00 0.00 O ATOM 275 CB ILE A 18 -4.873 6.703 8.680 1.00 0.00 C ATOM 276 CG1 ILE A 18 -5.803 6.583 9.902 1.00 0.00 C ATOM 277 CG2 ILE A 18 -3.645 7.562 9.036 1.00 0.00 C ATOM 278 CD1 ILE A 18 -5.147 5.989 11.137 1.00 0.00 C ATOM 0 H ILE A 18 -4.132 7.075 6.030 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.664 6.820 7.519 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.505 5.716 8.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.186 7.573 10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.661 5.968 9.631 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.139 7.132 9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.960 7.586 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.967 8.577 9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.874 5.942 11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.789 4.984 10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.307 6.614 11.439 1.00 0.00 H new ATOM 290 N HIS A 19 -5.507 9.366 6.285 1.00 0.00 N ATOM 291 CA HIS A 19 -5.522 10.799 6.012 1.00 0.00 C ATOM 292 C HIS A 19 -4.305 11.408 6.640 1.00 0.00 C ATOM 293 O HIS A 19 -4.354 12.012 7.700 1.00 0.00 O ATOM 294 CB HIS A 19 -6.838 11.509 6.441 1.00 0.00 C ATOM 295 CG HIS A 19 -6.953 12.939 5.982 1.00 0.00 C ATOM 296 ND1 HIS A 19 -6.353 14.002 6.615 1.00 0.00 N ATOM 297 CD2 HIS A 19 -7.609 13.466 4.917 1.00 0.00 C ATOM 298 CE1 HIS A 19 -6.650 15.106 5.946 1.00 0.00 C ATOM 299 NE2 HIS A 19 -7.412 14.843 4.896 1.00 0.00 N ATOM 0 H HIS A 19 -5.250 8.817 5.465 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.493 10.945 4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.685 10.945 6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.913 11.482 7.528 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.191 12.906 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.313 16.094 6.222 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.777 15.509 4.215 1.00 0.00 H new ATOM 307 N MET A 20 -3.204 11.152 6.012 1.00 0.00 N ATOM 308 CA MET A 20 -1.927 11.580 6.473 1.00 0.00 C ATOM 309 C MET A 20 -1.059 11.624 5.231 1.00 0.00 C ATOM 310 O MET A 20 -1.562 11.292 4.136 1.00 0.00 O ATOM 311 CB MET A 20 -1.445 10.544 7.512 1.00 0.00 C ATOM 312 CG MET A 20 -0.514 10.980 8.594 1.00 0.00 C ATOM 313 SD MET A 20 1.170 11.339 8.039 1.00 0.00 S ATOM 314 CE MET A 20 1.976 11.754 9.583 1.00 0.00 C ATOM 0 H MET A 20 -3.169 10.624 5.140 1.00 0.00 H new ATOM 0 HA MET A 20 -1.914 12.555 6.960 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.329 10.122 7.990 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.960 9.734 6.968 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.923 11.871 9.070 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.473 10.202 9.356 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.021 11.998 9.394 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.479 12.613 10.033 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.919 10.904 10.263 1.00 0.00 H new ATOM 324 N LYS A 21 0.177 12.000 5.368 1.00 0.00 N ATOM 325 CA LYS A 21 1.097 12.129 4.250 1.00 0.00 C ATOM 326 C LYS A 21 1.277 10.790 3.576 1.00 0.00 C ATOM 327 O LYS A 21 1.819 9.848 4.140 1.00 0.00 O ATOM 328 CB LYS A 21 2.447 12.618 4.729 1.00 0.00 C ATOM 329 CG LYS A 21 2.412 13.888 5.546 1.00 0.00 C ATOM 330 CD LYS A 21 3.766 14.129 6.158 1.00 0.00 C ATOM 331 CE LYS A 21 3.759 15.309 7.102 1.00 0.00 C ATOM 332 NZ LYS A 21 5.049 15.441 7.811 1.00 0.00 N ATOM 0 H LYS A 21 0.593 12.232 6.270 1.00 0.00 H new ATOM 0 HA LYS A 21 0.680 12.848 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.911 11.832 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.087 12.779 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.131 14.731 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.657 13.809 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.085 13.236 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.496 14.302 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.554 16.222 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.954 15.192 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.096 16.370 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.131 14.690 8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.830 15.356 7.129 1.00 0.00 H new ATOM 346 N ARG A 22 0.777 10.712 2.418 1.00 0.00 N ATOM 347 CA ARG A 22 0.845 9.559 1.624 1.00 0.00 C ATOM 348 C ARG A 22 1.874 9.766 0.518 1.00 0.00 C ATOM 349 O ARG A 22 1.773 10.696 -0.287 1.00 0.00 O ATOM 350 CB ARG A 22 -0.552 9.217 1.048 1.00 0.00 C ATOM 351 CG ARG A 22 -1.132 10.180 -0.027 1.00 0.00 C ATOM 352 CD ARG A 22 -1.345 11.636 0.461 1.00 0.00 C ATOM 353 NE ARG A 22 -0.102 12.430 0.512 1.00 0.00 N ATOM 354 CZ ARG A 22 0.076 13.603 1.147 1.00 0.00 C ATOM 355 NH1 ARG A 22 -0.884 14.133 1.889 1.00 0.00 N ATOM 356 NH2 ARG A 22 1.239 14.206 1.066 1.00 0.00 N ATOM 0 H ARG A 22 0.284 11.486 1.972 1.00 0.00 H new ATOM 0 HA ARG A 22 1.161 8.712 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.504 8.218 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.258 9.172 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.460 10.193 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.086 9.784 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.056 12.132 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.794 11.615 1.454 1.00 0.00 H new ATOM 0 HE ARG A 22 0.704 12.051 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.778 13.651 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.730 15.023 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.995 13.785 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.387 15.096 1.543 1.00 0.00 H new ATOM 370 N ALA A 23 2.858 8.965 0.511 1.00 0.00 N ATOM 371 CA ALA A 23 3.855 9.031 -0.498 1.00 0.00 C ATOM 372 C ALA A 23 3.869 7.710 -1.202 1.00 0.00 C ATOM 373 O ALA A 23 4.594 6.806 -0.844 1.00 0.00 O ATOM 374 CB ALA A 23 5.218 9.362 0.094 1.00 0.00 C ATOM 0 H ALA A 23 3.006 8.234 1.207 1.00 0.00 H new ATOM 0 HA ALA A 23 3.628 9.830 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.960 9.405 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.171 10.327 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.500 8.591 0.811 1.00 0.00 H new ATOM 380 N GLY A 24 3.035 7.573 -2.166 1.00 0.00 N ATOM 381 CA GLY A 24 2.937 6.318 -2.832 1.00 0.00 C ATOM 382 C GLY A 24 3.665 6.333 -4.108 1.00 0.00 C ATOM 383 O GLY A 24 3.062 6.520 -5.132 1.00 0.00 O ATOM 0 H GLY A 24 2.414 8.304 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.337 5.532 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.889 6.080 -3.012 1.00 0.00 H new ATOM 387 N PHE A 25 4.965 6.138 -4.059 1.00 0.00 N ATOM 388 CA PHE A 25 5.762 6.185 -5.263 1.00 0.00 C ATOM 389 C PHE A 25 5.460 4.983 -6.143 1.00 0.00 C ATOM 390 O PHE A 25 4.650 5.064 -7.055 1.00 0.00 O ATOM 391 CB PHE A 25 7.268 6.266 -4.956 1.00 0.00 C ATOM 392 CG PHE A 25 7.681 7.427 -4.090 1.00 0.00 C ATOM 393 CD1 PHE A 25 7.887 8.677 -4.638 1.00 0.00 C ATOM 394 CD2 PHE A 25 7.875 7.257 -2.727 1.00 0.00 C ATOM 395 CE1 PHE A 25 8.276 9.739 -3.846 1.00 0.00 C ATOM 396 CE2 PHE A 25 8.266 8.315 -1.932 1.00 0.00 C ATOM 397 CZ PHE A 25 8.467 9.559 -2.494 1.00 0.00 C ATOM 0 H PHE A 25 5.488 5.947 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 25 5.493 7.095 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.574 5.341 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.813 6.324 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.742 8.826 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.718 6.285 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.431 10.712 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.414 8.170 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.773 10.389 -1.875 1.00 0.00 H new ATOM 407 N ARG A 26 6.013 3.844 -5.817 1.00 0.00 N ATOM 408 CA ARG A 26 5.795 2.696 -6.667 1.00 0.00 C ATOM 409 C ARG A 26 4.501 1.974 -6.363 1.00 0.00 C ATOM 410 O ARG A 26 3.976 1.276 -7.213 1.00 0.00 O ATOM 411 CB ARG A 26 6.949 1.712 -6.660 1.00 0.00 C ATOM 412 CG ARG A 26 8.302 2.299 -7.026 1.00 0.00 C ATOM 413 CD ARG A 26 9.148 1.286 -7.790 1.00 0.00 C ATOM 414 NE ARG A 26 8.766 1.232 -9.220 1.00 0.00 N ATOM 415 CZ ARG A 26 8.112 0.238 -9.861 1.00 0.00 C ATOM 416 NH1 ARG A 26 7.622 -0.801 -9.195 1.00 0.00 N ATOM 417 NH2 ARG A 26 7.926 0.317 -11.172 1.00 0.00 N ATOM 0 H ARG A 26 6.599 3.684 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 26 5.724 3.115 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.020 1.267 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.721 0.904 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.162 3.193 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.826 2.607 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.202 1.551 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.029 0.299 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 26 9.027 2.039 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.736 -0.858 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.131 -1.542 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.276 1.124 -11.689 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.433 -0.429 -11.663 1.00 0.00 H new ATOM 431 N GLU A 27 3.946 2.150 -5.171 1.00 0.00 N ATOM 432 CA GLU A 27 2.738 1.433 -4.848 1.00 0.00 C ATOM 433 C GLU A 27 1.554 2.181 -5.456 1.00 0.00 C ATOM 434 O GLU A 27 0.468 1.665 -5.536 1.00 0.00 O ATOM 435 CB GLU A 27 2.671 1.267 -3.342 1.00 0.00 C ATOM 436 CG GLU A 27 1.832 0.129 -2.780 1.00 0.00 C ATOM 437 CD GLU A 27 0.372 0.416 -2.625 1.00 0.00 C ATOM 438 OE1 GLU A 27 -0.043 0.853 -1.559 1.00 0.00 O ATOM 439 OE2 GLU A 27 -0.392 0.053 -3.520 1.00 0.00 O ATOM 0 H GLU A 27 4.304 2.763 -4.439 1.00 0.00 H new ATOM 0 HA GLU A 27 2.717 0.429 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.690 1.142 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.293 2.199 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.946 -0.738 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.235 -0.148 -1.806 1.00 0.00 H new ATOM 446 N CYS A 28 1.811 3.407 -5.942 1.00 0.00 N ATOM 447 CA CYS A 28 0.762 4.198 -6.623 1.00 0.00 C ATOM 448 C CYS A 28 0.084 3.392 -7.743 1.00 0.00 C ATOM 449 O CYS A 28 -1.121 3.484 -7.937 1.00 0.00 O ATOM 450 CB CYS A 28 1.328 5.464 -7.236 1.00 0.00 C ATOM 451 SG CYS A 28 0.102 6.498 -8.071 1.00 0.00 S ATOM 0 H CYS A 28 2.718 3.869 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 28 0.031 4.453 -5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.808 6.050 -6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.104 5.192 -7.951 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.963 5.794 -8.319 1.00 0.00 H new ATOM 457 N ALA A 29 0.865 2.599 -8.461 1.00 0.00 N ATOM 458 CA ALA A 29 0.331 1.797 -9.542 1.00 0.00 C ATOM 459 C ALA A 29 -0.539 0.679 -8.986 1.00 0.00 C ATOM 460 O ALA A 29 -1.660 0.439 -9.464 1.00 0.00 O ATOM 461 CB ALA A 29 1.460 1.232 -10.380 1.00 0.00 C ATOM 0 H ALA A 29 1.869 2.496 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.288 2.429 -10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.046 0.631 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.047 2.050 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.100 0.609 -9.756 1.00 0.00 H new ATOM 467 N ALA A 30 -0.029 0.041 -7.950 1.00 0.00 N ATOM 468 CA ALA A 30 -0.674 -1.057 -7.288 1.00 0.00 C ATOM 469 C ALA A 30 -2.033 -0.697 -6.738 1.00 0.00 C ATOM 470 O ALA A 30 -3.006 -1.380 -7.009 1.00 0.00 O ATOM 471 CB ALA A 30 0.197 -1.539 -6.168 1.00 0.00 C ATOM 0 H ALA A 30 0.872 0.286 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.823 -1.838 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.289 -2.373 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.156 -1.867 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.358 -0.728 -5.458 1.00 0.00 H new ATOM 477 N MET A 31 -2.077 0.371 -5.966 1.00 0.00 N ATOM 478 CA MET A 31 -3.312 0.835 -5.299 1.00 0.00 C ATOM 479 C MET A 31 -4.464 1.035 -6.268 1.00 0.00 C ATOM 480 O MET A 31 -5.599 0.650 -5.972 1.00 0.00 O ATOM 481 CB MET A 31 -3.060 2.093 -4.466 1.00 0.00 C ATOM 482 CG MET A 31 -2.584 3.279 -5.263 1.00 0.00 C ATOM 483 SD MET A 31 -2.128 4.688 -4.256 1.00 0.00 S ATOM 484 CE MET A 31 -0.817 3.993 -3.263 1.00 0.00 C ATOM 0 H MET A 31 -1.263 0.954 -5.773 1.00 0.00 H new ATOM 0 HA MET A 31 -3.613 0.037 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.981 2.363 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.320 1.865 -3.699 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.725 2.980 -5.864 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.370 3.578 -5.956 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.142 4.787 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.244 3.505 -2.387 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.263 3.262 -3.852 1.00 0.00 H new ATOM 494 N ILE A 32 -4.150 1.546 -7.456 1.00 0.00 N ATOM 495 CA ILE A 32 -5.148 1.778 -8.483 1.00 0.00 C ATOM 496 C ILE A 32 -5.840 0.457 -8.832 1.00 0.00 C ATOM 497 O ILE A 32 -7.072 0.359 -8.868 1.00 0.00 O ATOM 498 CB ILE A 32 -4.489 2.374 -9.760 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.844 3.733 -9.444 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.511 2.518 -10.888 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.100 4.360 -10.612 1.00 0.00 C ATOM 0 H ILE A 32 -3.202 1.807 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.882 2.489 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.712 1.686 -10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.621 4.422 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.151 3.608 -8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.024 2.937 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.924 1.539 -11.132 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.315 3.181 -10.568 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.676 5.315 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.299 3.694 -10.932 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.791 4.521 -11.440 1.00 0.00 H new ATOM 513 N GLU A 33 -5.046 -0.562 -8.989 1.00 0.00 N ATOM 514 CA GLU A 33 -5.533 -1.852 -9.362 1.00 0.00 C ATOM 515 C GLU A 33 -6.115 -2.600 -8.167 1.00 0.00 C ATOM 516 O GLU A 33 -7.073 -3.351 -8.311 1.00 0.00 O ATOM 517 CB GLU A 33 -4.426 -2.636 -10.036 1.00 0.00 C ATOM 518 CG GLU A 33 -3.974 -2.018 -11.339 1.00 0.00 C ATOM 519 CD GLU A 33 -5.098 -1.945 -12.335 1.00 0.00 C ATOM 520 OE1 GLU A 33 -5.588 -3.013 -12.763 1.00 0.00 O ATOM 521 OE2 GLU A 33 -5.525 -0.833 -12.700 1.00 0.00 O ATOM 0 H GLU A 33 -4.035 -0.518 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.350 -1.728 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.575 -2.707 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.770 -3.653 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.587 -1.016 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.155 -2.604 -11.756 1.00 0.00 H new ATOM 528 N LYS A 34 -5.558 -2.363 -6.980 1.00 0.00 N ATOM 529 CA LYS A 34 -6.041 -2.978 -5.732 1.00 0.00 C ATOM 530 C LYS A 34 -7.484 -2.639 -5.483 1.00 0.00 C ATOM 531 O LYS A 34 -8.214 -3.427 -4.898 1.00 0.00 O ATOM 532 CB LYS A 34 -5.206 -2.532 -4.538 1.00 0.00 C ATOM 533 CG LYS A 34 -3.858 -3.216 -4.405 1.00 0.00 C ATOM 534 CD LYS A 34 -2.982 -2.454 -3.468 1.00 0.00 C ATOM 535 CE LYS A 34 -1.621 -3.056 -3.329 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.824 -2.254 -2.408 1.00 0.00 N ATOM 0 H LYS A 34 -4.760 -1.741 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.944 -4.057 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.045 -1.456 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.778 -2.710 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.993 -4.234 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.381 -3.288 -5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.886 -1.427 -3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.457 -2.411 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.700 -4.079 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.132 -3.104 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.272 -2.882 -1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.178 -1.644 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.453 -1.663 -1.828 1.00 0.00 H new ATOM 550 N LYS A 35 -7.899 -1.483 -5.984 1.00 0.00 N ATOM 551 CA LYS A 35 -9.260 -1.003 -5.842 1.00 0.00 C ATOM 552 C LYS A 35 -10.261 -1.933 -6.586 1.00 0.00 C ATOM 553 O LYS A 35 -11.487 -1.809 -6.424 1.00 0.00 O ATOM 554 CB LYS A 35 -9.366 0.399 -6.423 1.00 0.00 C ATOM 555 CG LYS A 35 -10.675 1.100 -6.107 1.00 0.00 C ATOM 556 CD LYS A 35 -11.083 2.050 -7.214 1.00 0.00 C ATOM 557 CE LYS A 35 -11.487 1.292 -8.480 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.610 0.345 -8.234 1.00 0.00 N ATOM 0 H LYS A 35 -7.292 -0.849 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.510 -0.995 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.542 1.002 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.248 0.343 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.459 0.357 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.576 1.652 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.915 2.668 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.257 2.724 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.778 2.005 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.627 0.742 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.973 -0.006 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.270 -0.456 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.372 0.835 -7.723 1.00 0.00 H new ATOM 572 N ALA A 36 -9.749 -2.813 -7.431 1.00 0.00 N ATOM 573 CA ALA A 36 -10.592 -3.743 -8.127 1.00 0.00 C ATOM 574 C ALA A 36 -11.000 -4.845 -7.173 1.00 0.00 C ATOM 575 O ALA A 36 -12.167 -4.954 -6.794 1.00 0.00 O ATOM 576 CB ALA A 36 -9.891 -4.315 -9.349 1.00 0.00 C ATOM 0 H ALA A 36 -8.755 -2.895 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.481 -3.222 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.555 -5.016 -9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.630 -3.506 -10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.984 -4.834 -9.039 1.00 0.00 H new ATOM 582 N ARG A 37 -10.039 -5.622 -6.738 1.00 0.00 N ATOM 583 CA ARG A 37 -10.287 -6.720 -5.818 1.00 0.00 C ATOM 584 C ARG A 37 -9.143 -6.831 -4.838 1.00 0.00 C ATOM 585 O ARG A 37 -9.249 -6.447 -3.673 1.00 0.00 O ATOM 586 CB ARG A 37 -10.439 -8.059 -6.566 1.00 0.00 C ATOM 587 CG ARG A 37 -11.667 -8.192 -7.449 1.00 0.00 C ATOM 588 CD ARG A 37 -12.940 -8.124 -6.633 1.00 0.00 C ATOM 589 NE ARG A 37 -14.130 -8.339 -7.451 1.00 0.00 N ATOM 590 CZ ARG A 37 -15.351 -7.897 -7.145 1.00 0.00 C ATOM 591 NH1 ARG A 37 -15.535 -7.107 -6.081 1.00 0.00 N ATOM 592 NH2 ARG A 37 -16.380 -8.222 -7.907 1.00 0.00 N ATOM 0 H ARG A 37 -9.061 -5.517 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.218 -6.510 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.554 -8.210 -7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.456 -8.863 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.668 -7.398 -8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.629 -9.138 -7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.904 -8.874 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.006 -7.151 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.020 -8.865 -8.318 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.740 -6.840 -5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.470 -6.771 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.241 -8.810 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.314 -7.885 -7.674 1.00 0.00 H new ATOM 606 N ARG A 38 -8.060 -7.352 -5.328 1.00 0.00 N ATOM 607 CA ARG A 38 -6.850 -7.541 -4.586 1.00 0.00 C ATOM 608 C ARG A 38 -5.760 -7.588 -5.624 1.00 0.00 C ATOM 609 O ARG A 38 -5.905 -8.293 -6.631 1.00 0.00 O ATOM 610 CB ARG A 38 -6.897 -8.862 -3.766 1.00 0.00 C ATOM 611 CG ARG A 38 -6.942 -10.137 -4.595 1.00 0.00 C ATOM 612 CD ARG A 38 -6.960 -11.371 -3.732 1.00 0.00 C ATOM 613 NE ARG A 38 -6.687 -12.570 -4.524 1.00 0.00 N ATOM 614 CZ ARG A 38 -6.729 -13.818 -4.070 1.00 0.00 C ATOM 615 NH1 ARG A 38 -7.346 -14.099 -2.925 1.00 0.00 N ATOM 616 NH2 ARG A 38 -6.226 -14.801 -4.805 1.00 0.00 N ATOM 0 H ARG A 38 -7.992 -7.670 -6.295 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.689 -6.743 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.022 -8.900 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.773 -8.838 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.828 -10.126 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.076 -10.170 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.216 -11.276 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.931 -11.465 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.444 -12.437 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.791 -13.354 -2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.374 -15.060 -2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.810 -14.597 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.255 -15.761 -4.462 1.00 0.00 H new ATOM 630 N VAL A 39 -4.737 -6.803 -5.467 1.00 0.00 N ATOM 631 CA VAL A 39 -3.682 -6.768 -6.467 1.00 0.00 C ATOM 632 C VAL A 39 -2.319 -6.673 -5.830 1.00 0.00 C ATOM 633 O VAL A 39 -2.142 -6.011 -4.787 1.00 0.00 O ATOM 634 CB VAL A 39 -3.895 -5.591 -7.495 1.00 0.00 C ATOM 635 CG1 VAL A 39 -2.701 -5.410 -8.427 1.00 0.00 C ATOM 636 CG2 VAL A 39 -5.129 -5.848 -8.335 1.00 0.00 C ATOM 0 H VAL A 39 -4.599 -6.181 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.734 -7.708 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.013 -4.680 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.898 -4.588 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.811 -5.186 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.540 -6.327 -8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.266 -5.029 -9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.008 -6.783 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.002 -5.918 -7.687 1.00 0.00 H new ATOM 646 N VAL A 40 -1.388 -7.369 -6.418 1.00 0.00 N ATOM 647 CA VAL A 40 -0.030 -7.346 -5.992 1.00 0.00 C ATOM 648 C VAL A 40 0.778 -6.549 -7.015 1.00 0.00 C ATOM 649 O VAL A 40 0.446 -6.527 -8.209 1.00 0.00 O ATOM 650 CB VAL A 40 0.571 -8.795 -5.821 1.00 0.00 C ATOM 651 CG1 VAL A 40 0.469 -9.604 -7.106 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.025 -8.754 -5.345 1.00 0.00 C ATOM 0 H VAL A 40 -1.561 -7.976 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 40 0.021 -6.875 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.028 -9.288 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.894 -10.595 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.578 -9.700 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.018 -9.097 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.402 -9.771 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.631 -8.216 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.078 -8.246 -4.382 1.00 0.00 H new ATOM 662 N HIS A 41 1.781 -5.869 -6.555 1.00 0.00 N ATOM 663 CA HIS A 41 2.639 -5.125 -7.415 1.00 0.00 C ATOM 664 C HIS A 41 4.029 -5.417 -6.953 1.00 0.00 C ATOM 665 O HIS A 41 4.284 -5.448 -5.730 1.00 0.00 O ATOM 666 CB HIS A 41 2.323 -3.636 -7.297 1.00 0.00 C ATOM 667 CG HIS A 41 2.944 -2.727 -8.329 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.822 -1.701 -8.037 1.00 0.00 N ATOM 669 CD2 HIS A 41 2.762 -2.684 -9.672 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.148 -1.101 -9.183 1.00 0.00 C ATOM 671 NE2 HIS A 41 3.533 -1.658 -10.207 1.00 0.00 N ATOM 0 H HIS A 41 2.027 -5.816 -5.566 1.00 0.00 H new ATOM 0 HA HIS A 41 2.511 -5.397 -8.463 1.00 0.00 H new ATOM 0 HB2 HIS A 41 1.241 -3.513 -7.343 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.641 -3.298 -6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.119 -3.343 -10.237 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.828 -0.266 -9.262 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.607 -1.392 -11.189 1.00 0.00 H new ATOM 679 N ILE A 42 4.896 -5.692 -7.872 1.00 0.00 N ATOM 680 CA ILE A 42 6.240 -6.003 -7.538 1.00 0.00 C ATOM 681 C ILE A 42 7.045 -4.704 -7.529 1.00 0.00 C ATOM 682 O ILE A 42 6.763 -3.786 -8.312 1.00 0.00 O ATOM 683 CB ILE A 42 6.829 -7.095 -8.484 1.00 0.00 C ATOM 684 CG1 ILE A 42 8.178 -7.606 -7.962 1.00 0.00 C ATOM 685 CG2 ILE A 42 6.951 -6.582 -9.918 1.00 0.00 C ATOM 686 CD1 ILE A 42 8.677 -8.851 -8.664 1.00 0.00 C ATOM 0 H ILE A 42 4.690 -5.706 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 42 6.291 -6.443 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 42 6.134 -7.935 -8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.921 -6.816 -8.072 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.089 -7.813 -6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.364 -7.367 -10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.966 -6.299 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.610 -5.714 -9.939 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.635 -9.149 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.955 -9.657 -8.533 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.801 -8.644 -9.727 1.00 0.00 H new ATOM 698 N LYS A 43 7.986 -4.617 -6.608 1.00 0.00 N ATOM 699 CA LYS A 43 8.801 -3.429 -6.391 1.00 0.00 C ATOM 700 C LYS A 43 7.943 -2.275 -5.849 1.00 0.00 C ATOM 701 O LYS A 43 7.721 -1.303 -6.551 1.00 0.00 O ATOM 702 CB LYS A 43 9.604 -2.926 -7.635 1.00 0.00 C ATOM 703 CG LYS A 43 10.721 -3.815 -8.151 1.00 0.00 C ATOM 704 CD LYS A 43 11.551 -3.064 -9.194 1.00 0.00 C ATOM 705 CE LYS A 43 12.767 -3.858 -9.675 1.00 0.00 C ATOM 706 NZ LYS A 43 12.408 -5.034 -10.499 1.00 0.00 N ATOM 0 H LYS A 43 8.213 -5.384 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 43 9.546 -3.746 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.898 -2.765 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.033 -1.955 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.359 -4.128 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.302 -4.720 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.919 -2.824 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.886 -2.117 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.416 -3.201 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.341 -4.190 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.274 -5.529 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.813 -5.679 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.885 -4.721 -11.342 1.00 0.00 H new ATOM 720 N PRO A 44 7.356 -2.396 -4.643 1.00 0.00 N ATOM 721 CA PRO A 44 6.597 -1.306 -4.065 1.00 0.00 C ATOM 722 C PRO A 44 7.541 -0.214 -3.559 1.00 0.00 C ATOM 723 O PRO A 44 8.771 -0.390 -3.548 1.00 0.00 O ATOM 724 CB PRO A 44 5.859 -1.963 -2.904 1.00 0.00 C ATOM 725 CG PRO A 44 6.762 -3.062 -2.492 1.00 0.00 C ATOM 726 CD PRO A 44 7.342 -3.582 -3.768 1.00 0.00 C ATOM 0 HA PRO A 44 5.924 -0.825 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.687 -1.259 -2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.884 -2.340 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.542 -2.702 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.218 -3.842 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.344 -3.984 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.735 -4.384 -4.188 1.00 0.00 H new ATOM 734 N GLY A 45 6.993 0.884 -3.163 1.00 0.00 N ATOM 735 CA GLY A 45 7.802 1.959 -2.696 1.00 0.00 C ATOM 736 C GLY A 45 6.938 3.033 -2.204 1.00 0.00 C ATOM 737 O GLY A 45 6.958 4.142 -2.711 1.00 0.00 O ATOM 0 H GLY A 45 5.989 1.062 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.462 1.614 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.438 2.328 -3.501 1.00 0.00 H new ATOM 741 N GLU A 46 6.086 2.687 -1.317 1.00 0.00 N ATOM 742 CA GLU A 46 5.198 3.631 -0.756 1.00 0.00 C ATOM 743 C GLU A 46 5.486 3.896 0.715 1.00 0.00 C ATOM 744 O GLU A 46 6.151 3.112 1.415 1.00 0.00 O ATOM 745 CB GLU A 46 3.786 3.120 -0.952 1.00 0.00 C ATOM 746 CG GLU A 46 3.273 2.082 0.079 1.00 0.00 C ATOM 747 CD GLU A 46 4.176 0.862 0.231 1.00 0.00 C ATOM 748 OE1 GLU A 46 4.753 0.397 -0.793 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.336 0.389 1.377 1.00 0.00 O ATOM 0 H GLU A 46 5.983 1.738 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 46 5.330 4.588 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.110 3.975 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.720 2.675 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.170 2.569 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.278 1.750 -0.218 1.00 0.00 H new ATOM 756 N LYS A 47 5.034 5.021 1.129 1.00 0.00 N ATOM 757 CA LYS A 47 5.089 5.497 2.458 1.00 0.00 C ATOM 758 C LYS A 47 3.840 6.252 2.715 1.00 0.00 C ATOM 759 O LYS A 47 3.782 7.464 2.691 1.00 0.00 O ATOM 760 CB LYS A 47 6.362 6.288 2.750 1.00 0.00 C ATOM 761 CG LYS A 47 7.494 5.369 3.124 1.00 0.00 C ATOM 762 CD LYS A 47 7.265 4.829 4.524 1.00 0.00 C ATOM 763 CE LYS A 47 7.812 3.413 4.699 1.00 0.00 C ATOM 764 NZ LYS A 47 7.017 2.394 3.953 1.00 0.00 N ATOM 0 H LYS A 47 4.582 5.683 0.498 1.00 0.00 H new ATOM 0 HA LYS A 47 5.147 4.661 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.639 6.874 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.178 6.993 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.560 4.547 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.442 5.905 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.740 5.491 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.197 4.832 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.847 3.382 4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.819 3.159 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.558 1.508 3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.122 2.219 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.816 2.744 2.995 1.00 0.00 H new ATOM 778 N ILE A 48 2.806 5.499 2.829 1.00 0.00 N ATOM 779 CA ILE A 48 1.512 6.019 3.025 1.00 0.00 C ATOM 780 C ILE A 48 1.258 6.105 4.497 1.00 0.00 C ATOM 781 O ILE A 48 1.177 5.085 5.151 1.00 0.00 O ATOM 782 CB ILE A 48 0.462 5.107 2.343 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.767 4.951 0.853 1.00 0.00 C ATOM 784 CG2 ILE A 48 -0.961 5.613 2.551 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.131 3.961 0.155 1.00 0.00 C ATOM 0 H ILE A 48 2.843 4.481 2.787 1.00 0.00 H new ATOM 0 HA ILE A 48 1.434 7.011 2.580 1.00 0.00 H new ATOM 0 HB ILE A 48 0.529 4.128 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.671 5.922 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.804 4.636 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.662 4.942 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.183 5.646 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.057 6.614 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.142 3.902 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.018 2.979 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.168 4.285 0.243 1.00 0.00 H new ATOM 797 N LEU A 49 1.242 7.348 5.025 1.00 0.00 N ATOM 798 CA LEU A 49 0.956 7.666 6.454 1.00 0.00 C ATOM 799 C LEU A 49 2.070 7.102 7.331 1.00 0.00 C ATOM 800 O LEU A 49 1.905 6.944 8.555 1.00 0.00 O ATOM 801 CB LEU A 49 -0.345 6.986 6.901 1.00 0.00 C ATOM 802 CG LEU A 49 -1.455 6.876 5.889 1.00 0.00 C ATOM 803 CD1 LEU A 49 -2.298 5.692 6.180 1.00 0.00 C ATOM 804 CD2 LEU A 49 -2.267 8.104 5.789 1.00 0.00 C ATOM 0 H LEU A 49 1.430 8.179 4.465 1.00 0.00 H new ATOM 0 HA LEU A 49 0.878 8.749 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.099 5.980 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.729 7.529 7.764 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.989 6.746 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.097 5.624 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.686 4.791 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.732 5.790 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.050 7.963 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.721 8.320 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.631 8.938 5.493 1.00 0.00 H new ATOM 816 N GLY A 50 3.184 6.782 6.713 1.00 0.00 N ATOM 817 CA GLY A 50 4.283 6.157 7.408 1.00 0.00 C ATOM 818 C GLY A 50 4.079 4.647 7.399 1.00 0.00 C ATOM 819 O GLY A 50 4.920 3.894 6.905 1.00 0.00 O ATOM 0 H GLY A 50 3.352 6.947 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.227 6.413 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.338 6.524 8.433 1.00 0.00 H new ATOM 823 N ALA A 51 2.915 4.237 7.872 1.00 0.00 N ATOM 824 CA ALA A 51 2.494 2.868 7.919 1.00 0.00 C ATOM 825 C ALA A 51 1.171 2.823 7.196 1.00 0.00 C ATOM 826 O ALA A 51 0.218 3.520 7.595 1.00 0.00 O ATOM 827 CB ALA A 51 2.341 2.402 9.362 1.00 0.00 C ATOM 0 H ALA A 51 2.218 4.882 8.246 1.00 0.00 H new ATOM 0 HA ALA A 51 3.225 2.206 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.021 1.360 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.297 2.495 9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.596 3.017 9.866 1.00 0.00 H new ATOM 833 N ARG A 52 1.134 2.070 6.119 1.00 0.00 N ATOM 834 CA ARG A 52 -0.032 1.966 5.254 1.00 0.00 C ATOM 835 C ARG A 52 -1.245 1.336 5.964 1.00 0.00 C ATOM 836 O ARG A 52 -1.297 0.130 6.221 1.00 0.00 O ATOM 837 CB ARG A 52 0.376 1.243 3.933 1.00 0.00 C ATOM 838 CG ARG A 52 -0.679 1.140 2.803 1.00 0.00 C ATOM 839 CD ARG A 52 -1.723 0.062 3.062 1.00 0.00 C ATOM 840 NE ARG A 52 -1.087 -1.239 3.318 1.00 0.00 N ATOM 841 CZ ARG A 52 -1.714 -2.357 3.673 1.00 0.00 C ATOM 842 NH1 ARG A 52 -3.044 -2.420 3.663 1.00 0.00 N ATOM 843 NH2 ARG A 52 -1.001 -3.423 4.015 1.00 0.00 N ATOM 0 H ARG A 52 1.923 1.502 5.810 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.376 2.967 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.249 1.755 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.690 0.231 4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.178 2.102 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.174 0.931 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.338 0.344 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.389 -0.018 2.203 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.074 -1.288 3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.591 -1.606 3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.516 -3.282 3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.018 -3.380 4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.472 -4.285 4.289 1.00 0.00 H new ATOM 857 N ILE A 53 -2.176 2.191 6.305 1.00 0.00 N ATOM 858 CA ILE A 53 -3.432 1.830 6.932 1.00 0.00 C ATOM 859 C ILE A 53 -4.513 2.180 5.931 1.00 0.00 C ATOM 860 O ILE A 53 -4.451 3.243 5.357 1.00 0.00 O ATOM 861 CB ILE A 53 -3.664 2.678 8.223 1.00 0.00 C ATOM 862 CG1 ILE A 53 -2.526 2.474 9.243 1.00 0.00 C ATOM 863 CG2 ILE A 53 -5.024 2.379 8.863 1.00 0.00 C ATOM 864 CD1 ILE A 53 -2.351 1.039 9.716 1.00 0.00 C ATOM 0 H ILE A 53 -2.081 3.195 6.150 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.436 0.775 7.207 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.663 3.725 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.591 2.813 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.714 3.108 10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.147 2.989 9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.819 2.611 8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.075 1.324 9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.529 0.989 10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.269 0.699 10.195 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.129 0.399 8.862 1.00 0.00 H new ATOM 876 N ILE A 54 -5.478 1.301 5.724 1.00 0.00 N ATOM 877 CA ILE A 54 -6.535 1.535 4.742 1.00 0.00 C ATOM 878 C ILE A 54 -7.533 2.549 5.283 1.00 0.00 C ATOM 879 O ILE A 54 -8.112 3.316 4.545 1.00 0.00 O ATOM 880 CB ILE A 54 -7.270 0.199 4.386 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.250 -0.853 3.912 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.349 0.417 3.315 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.842 -2.217 3.615 1.00 0.00 C ATOM 0 H ILE A 54 -5.556 0.414 6.222 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.079 1.929 3.834 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.767 -0.162 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.756 -0.482 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.480 -0.964 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.838 -0.531 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.088 1.129 3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.888 0.808 2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.052 -2.893 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.310 -2.614 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.590 -2.125 2.828 1.00 0.00 H new ATOM 895 N GLY A 55 -7.770 2.500 6.572 1.00 0.00 N ATOM 896 CA GLY A 55 -8.670 3.451 7.187 1.00 0.00 C ATOM 897 C GLY A 55 -10.092 2.968 7.134 1.00 0.00 C ATOM 898 O GLY A 55 -10.952 3.405 7.905 1.00 0.00 O ATOM 0 H GLY A 55 -7.358 1.820 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.377 3.614 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.591 4.412 6.678 1.00 0.00 H new ATOM 902 N ILE A 56 -10.338 2.082 6.217 1.00 0.00 N ATOM 903 CA ILE A 56 -11.610 1.478 6.043 1.00 0.00 C ATOM 904 C ILE A 56 -11.543 0.115 6.685 1.00 0.00 C ATOM 905 O ILE A 56 -10.683 -0.685 6.305 1.00 0.00 O ATOM 906 CB ILE A 56 -11.956 1.323 4.533 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.992 2.692 3.827 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.279 0.576 4.333 1.00 0.00 C ATOM 909 CD1 ILE A 56 -13.015 3.667 4.382 1.00 0.00 C ATOM 0 H ILE A 56 -9.635 1.755 5.554 1.00 0.00 H new ATOM 0 HA ILE A 56 -12.383 2.099 6.496 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.165 0.727 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.004 3.146 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.198 2.534 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.489 0.486 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.206 -0.418 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.085 1.128 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.967 4.602 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.013 3.239 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.800 3.861 5.433 1.00 0.00 H new ATOM 921 N PRO A 57 -12.398 -0.151 7.688 1.00 0.00 N ATOM 922 CA PRO A 57 -12.435 -1.436 8.381 1.00 0.00 C ATOM 923 C PRO A 57 -12.733 -2.578 7.416 1.00 0.00 C ATOM 924 O PRO A 57 -13.808 -2.627 6.809 1.00 0.00 O ATOM 925 CB PRO A 57 -13.590 -1.286 9.377 1.00 0.00 C ATOM 926 CG PRO A 57 -13.770 0.175 9.534 1.00 0.00 C ATOM 927 CD PRO A 57 -13.403 0.783 8.221 1.00 0.00 C ATOM 0 HA PRO A 57 -11.481 -1.672 8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.498 -1.758 9.003 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.354 -1.760 10.330 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.800 0.414 9.799 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.137 0.562 10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.266 0.866 7.560 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.996 1.787 8.342 1.00 0.00 H new ATOM 935 N PRO A 58 -11.769 -3.458 7.190 1.00 0.00 N ATOM 936 CA PRO A 58 -11.944 -4.587 6.339 1.00 0.00 C ATOM 937 C PRO A 58 -12.178 -5.846 7.146 1.00 0.00 C ATOM 938 O PRO A 58 -12.315 -5.794 8.377 1.00 0.00 O ATOM 939 CB PRO A 58 -10.577 -4.675 5.656 1.00 0.00 C ATOM 940 CG PRO A 58 -9.591 -4.065 6.624 1.00 0.00 C ATOM 941 CD PRO A 58 -10.393 -3.408 7.719 1.00 0.00 C ATOM 0 HA PRO A 58 -12.794 -4.491 5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.317 -5.710 5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.578 -4.136 4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.932 -4.829 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.957 -3.335 6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.303 -3.944 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.066 -2.384 7.901 1.00 0.00 H new ATOM 949 N VAL A 59 -12.283 -6.956 6.462 1.00 0.00 N ATOM 950 CA VAL A 59 -12.404 -8.226 7.128 1.00 0.00 C ATOM 951 C VAL A 59 -11.066 -8.481 7.827 1.00 0.00 C ATOM 952 O VAL A 59 -10.025 -8.466 7.180 1.00 0.00 O ATOM 953 CB VAL A 59 -12.751 -9.365 6.131 1.00 0.00 C ATOM 954 CG1 VAL A 59 -12.808 -10.717 6.827 1.00 0.00 C ATOM 955 CG2 VAL A 59 -14.082 -9.075 5.462 1.00 0.00 C ATOM 0 H VAL A 59 -12.287 -7.006 5.443 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.221 -8.207 7.849 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.962 -9.406 5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.053 -11.491 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.840 -10.936 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.572 -10.694 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.321 -9.877 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.863 -9.009 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.020 -8.130 4.922 1.00 0.00 H new ATOM 965 N PRO A 60 -11.075 -8.647 9.147 1.00 0.00 N ATOM 966 CA PRO A 60 -9.849 -8.729 9.949 1.00 0.00 C ATOM 967 C PRO A 60 -9.105 -10.073 9.853 1.00 0.00 C ATOM 968 O PRO A 60 -8.859 -10.733 10.873 1.00 0.00 O ATOM 969 CB PRO A 60 -10.373 -8.501 11.369 1.00 0.00 C ATOM 970 CG PRO A 60 -11.745 -9.068 11.349 1.00 0.00 C ATOM 971 CD PRO A 60 -12.289 -8.765 9.988 1.00 0.00 C ATOM 0 HA PRO A 60 -9.103 -8.011 9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.747 -9.000 12.109 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.384 -7.441 11.624 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.727 -10.142 11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.365 -8.621 12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.947 -9.558 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.871 -7.843 9.985 1.00 0.00 H new ATOM 979 N ILE A 61 -8.752 -10.491 8.648 1.00 0.00 N ATOM 980 CA ILE A 61 -7.993 -11.708 8.469 1.00 0.00 C ATOM 981 C ILE A 61 -6.797 -11.354 7.597 1.00 0.00 C ATOM 982 O ILE A 61 -6.891 -10.451 6.788 1.00 0.00 O ATOM 983 CB ILE A 61 -8.857 -12.802 7.764 1.00 0.00 C ATOM 984 CG1 ILE A 61 -10.154 -13.037 8.548 1.00 0.00 C ATOM 985 CG2 ILE A 61 -8.078 -14.119 7.635 1.00 0.00 C ATOM 986 CD1 ILE A 61 -11.125 -13.959 7.861 1.00 0.00 C ATOM 0 H ILE A 61 -8.981 -10.002 7.782 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.680 -12.109 9.433 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.102 -12.448 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.906 -13.450 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.641 -12.077 8.722 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.702 -14.864 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.176 -13.952 7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.802 -14.477 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -12.016 -14.074 8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -11.405 -13.539 6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.659 -14.933 7.712 1.00 0.00 H new ATOM 998 N GLY A 62 -5.675 -11.989 7.773 1.00 0.00 N ATOM 999 CA GLY A 62 -4.572 -11.682 6.911 1.00 0.00 C ATOM 1000 C GLY A 62 -3.250 -11.987 7.510 1.00 0.00 C ATOM 1001 O GLY A 62 -3.069 -11.879 8.728 1.00 0.00 O ATOM 0 H GLY A 62 -5.501 -12.701 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.680 -12.243 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.608 -10.624 6.650 1.00 0.00 H new ATOM 1005 N ILE A 63 -2.318 -12.355 6.666 1.00 0.00 N ATOM 1006 CA ILE A 63 -0.992 -12.712 7.092 1.00 0.00 C ATOM 1007 C ILE A 63 0.053 -11.946 6.285 1.00 0.00 C ATOM 1008 O ILE A 63 -0.193 -11.546 5.140 1.00 0.00 O ATOM 1009 CB ILE A 63 -0.732 -14.234 6.933 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -0.927 -14.673 5.471 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -1.628 -15.044 7.869 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -0.633 -16.126 5.214 1.00 0.00 C ATOM 0 H ILE A 63 -2.461 -12.415 5.658 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.912 -12.450 8.147 1.00 0.00 H new ATOM 0 HB ILE A 63 0.304 -14.428 7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.956 -14.465 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.284 -14.066 4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.425 -16.107 7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.425 -14.761 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.674 -14.842 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.796 -16.349 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.404 -16.339 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.294 -16.744 5.822 1.00 0.00 H new ATOM 1024 N ASP A 64 1.189 -11.745 6.875 1.00 0.00 N ATOM 1025 CA ASP A 64 2.301 -11.076 6.231 1.00 0.00 C ATOM 1026 C ASP A 64 3.490 -12.010 6.320 1.00 0.00 C ATOM 1027 O ASP A 64 3.933 -12.351 7.426 1.00 0.00 O ATOM 1028 CB ASP A 64 2.595 -9.753 6.945 1.00 0.00 C ATOM 1029 CG ASP A 64 3.633 -8.900 6.248 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.254 -8.071 5.392 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.828 -9.003 6.570 1.00 0.00 O ATOM 0 H ASP A 64 1.384 -12.041 7.831 1.00 0.00 H new ATOM 0 HA ASP A 64 2.076 -10.845 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.669 -9.184 7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.934 -9.966 7.959 1.00 0.00 H new ATOM 1036 N GLU A 65 3.971 -12.482 5.187 1.00 0.00 N ATOM 1037 CA GLU A 65 5.067 -13.430 5.174 1.00 0.00 C ATOM 1038 C GLU A 65 6.401 -12.749 5.336 1.00 0.00 C ATOM 1039 O GLU A 65 7.014 -12.788 6.407 1.00 0.00 O ATOM 1040 CB GLU A 65 5.032 -14.294 3.904 1.00 0.00 C ATOM 1041 CG GLU A 65 3.849 -15.244 3.873 1.00 0.00 C ATOM 1042 CD GLU A 65 3.856 -16.155 2.680 1.00 0.00 C ATOM 1043 OE1 GLU A 65 4.752 -17.026 2.590 1.00 0.00 O ATOM 1044 OE2 GLU A 65 2.940 -16.068 1.854 1.00 0.00 O ATOM 0 H GLU A 65 3.620 -12.225 4.264 1.00 0.00 H new ATOM 0 HA GLU A 65 4.938 -14.088 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.994 -13.645 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.956 -14.869 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.850 -15.846 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.926 -14.665 3.875 1.00 0.00 H new ATOM 1051 N GLU A 66 6.803 -12.077 4.323 1.00 0.00 N ATOM 1052 CA GLU A 66 8.068 -11.410 4.281 1.00 0.00 C ATOM 1053 C GLU A 66 7.843 -10.205 3.417 1.00 0.00 C ATOM 1054 O GLU A 66 6.823 -10.136 2.737 1.00 0.00 O ATOM 1055 CB GLU A 66 9.088 -12.347 3.635 1.00 0.00 C ATOM 1056 CG GLU A 66 10.532 -11.919 3.682 1.00 0.00 C ATOM 1057 CD GLU A 66 11.376 -12.785 2.793 1.00 0.00 C ATOM 1058 OE1 GLU A 66 11.354 -12.564 1.573 1.00 0.00 O ATOM 1059 OE2 GLU A 66 12.054 -13.703 3.277 1.00 0.00 O ATOM 0 H GLU A 66 6.252 -11.967 3.471 1.00 0.00 H new ATOM 0 HA GLU A 66 8.441 -11.130 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.007 -13.321 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.809 -12.484 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.617 -10.878 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.899 -11.976 4.707 1.00 0.00 H new ATOM 1066 N ARG A 67 8.739 -9.278 3.426 1.00 0.00 N ATOM 1067 CA ARG A 67 8.561 -8.090 2.630 1.00 0.00 C ATOM 1068 C ARG A 67 9.004 -8.334 1.207 1.00 0.00 C ATOM 1069 O ARG A 67 8.418 -7.828 0.240 1.00 0.00 O ATOM 1070 CB ARG A 67 9.296 -6.902 3.237 1.00 0.00 C ATOM 1071 CG ARG A 67 9.073 -5.602 2.484 1.00 0.00 C ATOM 1072 CD ARG A 67 7.596 -5.432 2.163 1.00 0.00 C ATOM 1073 NE ARG A 67 6.761 -5.477 3.369 1.00 0.00 N ATOM 1074 CZ ARG A 67 5.678 -6.265 3.540 1.00 0.00 C ATOM 1075 NH1 ARG A 67 5.221 -7.032 2.544 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.064 -6.286 4.701 1.00 0.00 N ATOM 0 H ARG A 67 9.602 -9.309 3.969 1.00 0.00 H new ATOM 0 HA ARG A 67 7.499 -7.847 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.973 -6.774 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.364 -7.120 3.262 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.422 -4.761 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.656 -5.601 1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.443 -4.481 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.282 -6.217 1.475 1.00 0.00 H new ATOM 0 HE ARG A 67 7.020 -4.863 4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.692 -7.027 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.402 -7.622 2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.406 -5.708 5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.245 -6.880 4.834 1.00 0.00 H new ATOM 1090 N SER A 68 10.006 -9.106 1.091 1.00 0.00 N ATOM 1091 CA SER A 68 10.563 -9.487 -0.167 1.00 0.00 C ATOM 1092 C SER A 68 9.881 -10.755 -0.728 1.00 0.00 C ATOM 1093 O SER A 68 10.447 -11.530 -1.514 1.00 0.00 O ATOM 1094 CB SER A 68 12.050 -9.624 0.030 1.00 0.00 C ATOM 1095 OG SER A 68 12.311 -10.124 1.339 1.00 0.00 O ATOM 0 H SER A 68 10.490 -9.513 1.891 1.00 0.00 H new ATOM 0 HA SER A 68 10.380 -8.730 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.466 -10.298 -0.718 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.536 -8.658 -0.106 1.00 0.00 H new ATOM 0 HG SER A 68 12.299 -11.104 1.323 1.00 0.00 H new ATOM 1101 N THR A 69 8.644 -10.874 -0.365 1.00 0.00 N ATOM 1102 CA THR A 69 7.745 -11.925 -0.711 1.00 0.00 C ATOM 1103 C THR A 69 6.363 -11.261 -0.591 1.00 0.00 C ATOM 1104 O THR A 69 6.289 -10.111 -0.133 1.00 0.00 O ATOM 1105 CB THR A 69 7.895 -13.129 0.289 1.00 0.00 C ATOM 1106 OG1 THR A 69 9.263 -13.624 0.286 1.00 0.00 O ATOM 1107 CG2 THR A 69 6.974 -14.299 -0.053 1.00 0.00 C ATOM 0 H THR A 69 8.200 -10.177 0.233 1.00 0.00 H new ATOM 0 HA THR A 69 7.924 -12.343 -1.702 1.00 0.00 H new ATOM 0 HB THR A 69 7.619 -12.742 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.835 -13.007 0.788 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.121 -15.101 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.936 -13.967 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.207 -14.665 -1.053 1.00 0.00 H new ATOM 1115 N VAL A 70 5.320 -11.903 -1.018 1.00 0.00 N ATOM 1116 CA VAL A 70 4.006 -11.323 -0.928 1.00 0.00 C ATOM 1117 C VAL A 70 3.450 -11.448 0.473 1.00 0.00 C ATOM 1118 O VAL A 70 3.929 -12.232 1.307 1.00 0.00 O ATOM 1119 CB VAL A 70 3.005 -11.988 -1.920 1.00 0.00 C ATOM 1120 CG1 VAL A 70 3.408 -11.758 -3.359 1.00 0.00 C ATOM 1121 CG2 VAL A 70 2.831 -13.478 -1.634 1.00 0.00 C ATOM 0 H VAL A 70 5.348 -12.833 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 70 4.118 -10.271 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 70 2.040 -11.506 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.686 -12.237 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.433 -10.688 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.396 -12.184 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.126 -13.905 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.793 -13.982 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.450 -13.612 -0.622 1.00 0.00 H new ATOM 1131 N MET A 71 2.489 -10.645 0.728 1.00 0.00 N ATOM 1132 CA MET A 71 1.772 -10.662 1.955 1.00 0.00 C ATOM 1133 C MET A 71 0.365 -10.979 1.552 1.00 0.00 C ATOM 1134 O MET A 71 -0.135 -10.397 0.595 1.00 0.00 O ATOM 1135 CB MET A 71 1.864 -9.303 2.696 1.00 0.00 C ATOM 1136 CG MET A 71 1.251 -8.111 1.964 1.00 0.00 C ATOM 1137 SD MET A 71 1.447 -6.561 2.860 1.00 0.00 S ATOM 1138 CE MET A 71 0.563 -5.437 1.790 1.00 0.00 C ATOM 0 H MET A 71 2.165 -9.934 0.072 1.00 0.00 H new ATOM 0 HA MET A 71 2.176 -11.390 2.659 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.374 -9.403 3.664 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.914 -9.086 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.714 -8.018 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.190 -8.298 1.800 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.989 -4.438 1.880 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.648 -5.775 0.757 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.488 -5.411 2.078 1.00 0.00 H new ATOM 1148 N ILE A 72 -0.257 -11.911 2.193 1.00 0.00 N ATOM 1149 CA ILE A 72 -1.589 -12.282 1.795 1.00 0.00 C ATOM 1150 C ILE A 72 -2.584 -11.929 2.887 1.00 0.00 C ATOM 1151 O ILE A 72 -2.822 -12.712 3.818 1.00 0.00 O ATOM 1152 CB ILE A 72 -1.707 -13.796 1.414 1.00 0.00 C ATOM 1153 CG1 ILE A 72 -0.690 -14.179 0.311 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -3.122 -14.121 0.944 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -0.885 -13.451 -1.015 1.00 0.00 C ATOM 0 H ILE A 72 0.122 -12.429 2.986 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.822 -11.712 0.896 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.483 -14.379 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.316 -13.976 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.754 -15.253 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.185 -15.178 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.830 -13.901 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.363 -13.517 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.129 -13.782 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.876 -13.673 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.789 -12.377 -0.858 1.00 0.00 H new ATOM 1167 N PRO A 73 -3.110 -10.719 2.866 1.00 0.00 N ATOM 1168 CA PRO A 73 -4.082 -10.322 3.804 1.00 0.00 C ATOM 1169 C PRO A 73 -5.476 -10.628 3.270 1.00 0.00 C ATOM 1170 O PRO A 73 -5.741 -10.522 2.077 1.00 0.00 O ATOM 1171 CB PRO A 73 -3.871 -8.800 3.937 1.00 0.00 C ATOM 1172 CG PRO A 73 -2.896 -8.427 2.855 1.00 0.00 C ATOM 1173 CD PRO A 73 -2.788 -9.621 1.953 1.00 0.00 C ATOM 0 HA PRO A 73 -3.992 -10.839 4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.812 -8.263 3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.480 -8.544 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.243 -7.554 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.925 -8.171 3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.486 -9.566 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.790 -9.723 1.528 1.00 0.00 H new ATOM 1181 N TYR A 74 -6.348 -11.002 4.131 1.00 0.00 N ATOM 1182 CA TYR A 74 -7.696 -11.265 3.760 1.00 0.00 C ATOM 1183 C TYR A 74 -8.541 -10.193 4.360 1.00 0.00 C ATOM 1184 O TYR A 74 -9.544 -10.424 5.053 1.00 0.00 O ATOM 1185 CB TYR A 74 -8.139 -12.681 4.119 1.00 0.00 C ATOM 1186 CG TYR A 74 -7.473 -13.725 3.249 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -7.881 -13.904 1.934 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -6.441 -14.519 3.726 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -7.284 -14.840 1.117 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -5.838 -15.463 2.913 1.00 0.00 C ATOM 1191 CZ TYR A 74 -6.263 -15.617 1.609 1.00 0.00 C ATOM 1192 OH TYR A 74 -5.660 -16.558 0.792 1.00 0.00 O ATOM 0 H TYR A 74 -6.149 -11.137 5.122 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.805 -11.236 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.905 -12.879 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.221 -12.759 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.684 -13.297 1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.103 -14.399 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.617 -14.962 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.037 -16.077 3.298 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.956 -17.022 1.292 1.00 0.00 H new ATOM 1202 N THR A 75 -8.037 -9.007 4.172 1.00 0.00 N ATOM 1203 CA THR A 75 -8.669 -7.840 4.582 1.00 0.00 C ATOM 1204 C THR A 75 -9.463 -7.364 3.411 1.00 0.00 C ATOM 1205 O THR A 75 -8.902 -6.907 2.396 1.00 0.00 O ATOM 1206 CB THR A 75 -7.654 -6.773 5.000 1.00 0.00 C ATOM 1207 OG1 THR A 75 -6.700 -6.574 3.931 1.00 0.00 O ATOM 1208 CG2 THR A 75 -6.927 -7.158 6.281 1.00 0.00 C ATOM 0 H THR A 75 -7.142 -8.848 3.710 1.00 0.00 H new ATOM 0 HA THR A 75 -9.300 -8.029 5.450 1.00 0.00 H new ATOM 0 HB THR A 75 -8.195 -5.847 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.163 -6.612 3.068 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.215 -6.376 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.650 -7.278 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.394 -8.097 6.129 1.00 0.00 H new ATOM 1216 N LYS A 76 -10.723 -7.542 3.497 1.00 0.00 N ATOM 1217 CA LYS A 76 -11.613 -7.183 2.426 1.00 0.00 C ATOM 1218 C LYS A 76 -12.364 -5.914 2.820 1.00 0.00 C ATOM 1219 O LYS A 76 -13.294 -5.982 3.615 1.00 0.00 O ATOM 1220 CB LYS A 76 -12.588 -8.347 2.179 1.00 0.00 C ATOM 1221 CG LYS A 76 -11.889 -9.711 2.078 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.869 -10.869 1.921 1.00 0.00 C ATOM 1223 CE LYS A 76 -13.591 -10.845 0.582 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.663 -11.062 -0.550 1.00 0.00 N ATOM 0 H LYS A 76 -11.186 -7.943 4.312 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.060 -6.992 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.318 -8.379 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.141 -8.160 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.206 -9.702 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.285 -9.871 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.332 -11.812 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.603 -10.831 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.362 -11.615 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.096 -9.887 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.209 -11.258 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.084 -10.210 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.044 -11.871 -0.341 1.00 0.00 H new ATOM 1238 N PRO A 77 -11.890 -4.728 2.375 1.00 0.00 N ATOM 1239 CA PRO A 77 -12.521 -3.455 2.670 1.00 0.00 C ATOM 1240 C PRO A 77 -13.388 -2.988 1.507 1.00 0.00 C ATOM 1241 O PRO A 77 -13.693 -3.757 0.605 1.00 0.00 O ATOM 1242 CB PRO A 77 -11.311 -2.516 2.819 1.00 0.00 C ATOM 1243 CG PRO A 77 -10.165 -3.207 2.120 1.00 0.00 C ATOM 1244 CD PRO A 77 -10.692 -4.514 1.572 1.00 0.00 C ATOM 0 HA PRO A 77 -13.175 -3.494 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.513 -1.543 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.079 -2.340 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.774 -2.584 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.343 -3.385 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.922 -4.446 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.973 -5.324 1.691 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.748 -1.725 1.512 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.559 -1.171 0.444 1.00 0.00 C ATOM 1254 C CYS A 78 -13.655 -0.653 -0.692 1.00 0.00 C ATOM 1255 O CYS A 78 -14.127 -0.260 -1.756 1.00 0.00 O ATOM 1256 CB CYS A 78 -15.466 -0.062 1.002 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.709 0.588 -0.144 1.00 0.00 S ATOM 0 H CYS A 78 -13.494 -1.059 2.242 1.00 0.00 H new ATOM 0 HA CYS A 78 -15.199 -1.949 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.978 -0.446 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.837 0.764 1.333 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.242 0.553 -1.357 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.354 -0.677 -0.460 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.396 -0.239 -1.460 1.00 0.00 C ATOM 1265 C TYR A 79 -10.883 -1.465 -2.221 1.00 0.00 C ATOM 1266 O TYR A 79 -11.294 -1.717 -3.354 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.233 0.525 -0.790 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.251 1.192 -1.749 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -8.127 0.519 -2.226 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -9.441 2.506 -2.148 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -7.226 1.144 -3.073 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -8.550 3.134 -2.996 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.446 2.454 -3.455 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.550 3.092 -4.279 1.00 0.00 O ATOM 0 H TYR A 79 -11.936 -0.996 0.414 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.877 0.443 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.652 1.289 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.681 -0.170 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.956 -0.506 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.303 3.049 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.358 0.611 -3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.720 4.157 -3.298 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.807 4.033 -4.375 1.00 0.00 H new ATOM 1284 N GLY A 80 -10.033 -2.235 -1.571 1.00 0.00 N ATOM 1285 CA GLY A 80 -9.485 -3.432 -2.146 1.00 0.00 C ATOM 1286 C GLY A 80 -8.396 -3.974 -1.260 1.00 0.00 C ATOM 1287 O GLY A 80 -8.020 -3.315 -0.282 1.00 0.00 O ATOM 0 H GLY A 80 -9.706 -2.041 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.270 -4.178 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.087 -3.220 -3.138 1.00 0.00 H new ATOM 1291 N THR A 81 -7.907 -5.144 -1.563 1.00 0.00 N ATOM 1292 CA THR A 81 -6.881 -5.773 -0.772 1.00 0.00 C ATOM 1293 C THR A 81 -5.515 -5.455 -1.367 1.00 0.00 C ATOM 1294 O THR A 81 -5.341 -5.437 -2.600 1.00 0.00 O ATOM 1295 CB THR A 81 -7.113 -7.288 -0.692 1.00 0.00 C ATOM 1296 OG1 THR A 81 -8.463 -7.532 -0.257 1.00 0.00 O ATOM 1297 CG2 THR A 81 -6.156 -7.940 0.293 1.00 0.00 C ATOM 0 H THR A 81 -8.209 -5.692 -2.368 1.00 0.00 H new ATOM 0 HA THR A 81 -6.919 -5.382 0.245 1.00 0.00 H new ATOM 0 HB THR A 81 -6.940 -7.715 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.535 -7.353 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.345 -9.013 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.129 -7.762 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.307 -7.513 1.284 1.00 0.00 H new ATOM 1305 N ALA A 82 -4.554 -5.236 -0.512 1.00 0.00 N ATOM 1306 CA ALA A 82 -3.264 -4.848 -0.928 1.00 0.00 C ATOM 1307 C ALA A 82 -2.242 -5.944 -0.725 1.00 0.00 C ATOM 1308 O ALA A 82 -2.093 -6.466 0.362 1.00 0.00 O ATOM 1309 CB ALA A 82 -2.853 -3.631 -0.126 1.00 0.00 C ATOM 0 H ALA A 82 -4.660 -5.327 0.498 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.300 -4.630 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.856 -3.313 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.562 -2.822 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.844 -3.880 0.935 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.553 -6.285 -1.776 1.00 0.00 N ATOM 1316 CA VAL A 83 -0.490 -7.253 -1.728 1.00 0.00 C ATOM 1317 C VAL A 83 0.736 -6.570 -2.343 1.00 0.00 C ATOM 1318 O VAL A 83 0.648 -6.003 -3.425 1.00 0.00 O ATOM 1319 CB VAL A 83 -0.848 -8.536 -2.542 1.00 0.00 C ATOM 1320 CG1 VAL A 83 0.232 -9.592 -2.395 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.202 -9.105 -2.119 1.00 0.00 C ATOM 0 H VAL A 83 -1.714 -5.894 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.309 -7.572 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.913 -8.247 -3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.042 -10.475 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.179 -9.198 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.336 -9.863 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.421 -9.998 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.173 -9.364 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.979 -8.360 -2.289 1.00 0.00 H new ATOM 1331 N VAL A 84 1.833 -6.524 -1.628 1.00 0.00 N ATOM 1332 CA VAL A 84 3.047 -5.906 -2.149 1.00 0.00 C ATOM 1333 C VAL A 84 4.185 -6.901 -2.026 1.00 0.00 C ATOM 1334 O VAL A 84 4.273 -7.619 -1.023 1.00 0.00 O ATOM 1335 CB VAL A 84 3.413 -4.532 -1.429 1.00 0.00 C ATOM 1336 CG1 VAL A 84 2.278 -3.530 -1.541 1.00 0.00 C ATOM 1337 CG2 VAL A 84 3.805 -4.731 0.037 1.00 0.00 C ATOM 0 H VAL A 84 1.920 -6.903 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 84 2.874 -5.650 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 84 4.282 -4.132 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.559 -2.604 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.075 -3.326 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.384 -3.939 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.045 -3.766 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.974 -5.184 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.675 -5.385 0.095 1.00 0.00 H new ATOM 1347 N GLU A 85 4.997 -6.998 -3.052 1.00 0.00 N ATOM 1348 CA GLU A 85 6.133 -7.882 -3.032 1.00 0.00 C ATOM 1349 C GLU A 85 7.336 -7.158 -3.558 1.00 0.00 C ATOM 1350 O GLU A 85 7.325 -6.623 -4.670 1.00 0.00 O ATOM 1351 CB GLU A 85 5.881 -9.148 -3.845 1.00 0.00 C ATOM 1352 CG GLU A 85 7.078 -10.083 -3.890 1.00 0.00 C ATOM 1353 CD GLU A 85 6.832 -11.344 -4.663 1.00 0.00 C ATOM 1354 OE1 GLU A 85 6.181 -11.298 -5.727 1.00 0.00 O ATOM 1355 OE2 GLU A 85 7.326 -12.411 -4.247 1.00 0.00 O ATOM 0 H GLU A 85 4.888 -6.469 -3.918 1.00 0.00 H new ATOM 0 HA GLU A 85 6.308 -8.189 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.029 -9.680 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.608 -8.869 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.923 -9.555 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.363 -10.343 -2.870 1.00 0.00 H new ATOM 1362 N LEU A 86 8.347 -7.110 -2.774 1.00 0.00 N ATOM 1363 CA LEU A 86 9.544 -6.439 -3.143 1.00 0.00 C ATOM 1364 C LEU A 86 10.577 -7.497 -3.546 1.00 0.00 C ATOM 1365 O LEU A 86 10.779 -8.437 -2.830 1.00 0.00 O ATOM 1366 CB LEU A 86 10.035 -5.634 -1.934 1.00 0.00 C ATOM 1367 CG LEU A 86 11.218 -4.698 -2.155 1.00 0.00 C ATOM 1368 CD1 LEU A 86 10.840 -3.504 -3.014 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.808 -4.259 -0.835 1.00 0.00 C ATOM 0 H LEU A 86 8.371 -7.538 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 86 9.382 -5.760 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.200 -5.041 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.303 -6.338 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 86 11.981 -5.254 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.711 -2.862 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.492 -3.851 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.045 -2.941 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.651 -3.592 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.049 -3.735 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.150 -5.133 -0.281 1.00 0.00 H new ATOM 1381 N PRO A 87 11.209 -7.386 -4.723 1.00 0.00 N ATOM 1382 CA PRO A 87 12.246 -8.341 -5.135 1.00 0.00 C ATOM 1383 C PRO A 87 13.602 -7.954 -4.545 1.00 0.00 C ATOM 1384 O PRO A 87 14.623 -8.599 -4.785 1.00 0.00 O ATOM 1385 CB PRO A 87 12.255 -8.203 -6.650 1.00 0.00 C ATOM 1386 CG PRO A 87 11.877 -6.787 -6.890 1.00 0.00 C ATOM 1387 CD PRO A 87 10.951 -6.383 -5.758 1.00 0.00 C ATOM 0 HA PRO A 87 12.054 -9.360 -4.798 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.238 -8.428 -7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.547 -8.888 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.761 -6.149 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.380 -6.678 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.169 -5.376 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.907 -6.391 -6.072 1.00 0.00 H new ATOM 1395 N VAL A 88 13.570 -6.902 -3.781 1.00 0.00 N ATOM 1396 CA VAL A 88 14.703 -6.357 -3.099 1.00 0.00 C ATOM 1397 C VAL A 88 14.550 -6.777 -1.651 1.00 0.00 C ATOM 1398 O VAL A 88 13.434 -7.091 -1.227 1.00 0.00 O ATOM 1399 CB VAL A 88 14.667 -4.794 -3.155 1.00 0.00 C ATOM 1400 CG1 VAL A 88 15.954 -4.172 -2.657 1.00 0.00 C ATOM 1401 CG2 VAL A 88 14.303 -4.281 -4.540 1.00 0.00 C ATOM 0 H VAL A 88 12.712 -6.377 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 88 15.633 -6.703 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 88 13.876 -4.481 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.880 -3.086 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.125 -4.469 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.785 -4.513 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.290 -3.191 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.041 -4.630 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.317 -4.654 -4.819 1.00 0.00 H new ATOM 1411 N ASP A 89 15.626 -6.793 -0.912 1.00 0.00 N ATOM 1412 CA ASP A 89 15.585 -7.131 0.506 1.00 0.00 C ATOM 1413 C ASP A 89 14.730 -6.130 1.273 1.00 0.00 C ATOM 1414 O ASP A 89 14.650 -4.949 0.895 1.00 0.00 O ATOM 1415 CB ASP A 89 16.987 -7.161 1.113 1.00 0.00 C ATOM 1416 CG ASP A 89 17.764 -8.407 0.813 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.238 -8.580 -0.337 1.00 0.00 O ATOM 1418 OD2 ASP A 89 17.949 -9.226 1.739 1.00 0.00 O ATOM 0 H ASP A 89 16.558 -6.575 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 89 15.145 -8.125 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.547 -6.301 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 89 16.904 -7.050 2.194 1.00 0.00 H new ATOM 1423 N PRO A 90 14.101 -6.567 2.389 1.00 0.00 N ATOM 1424 CA PRO A 90 13.223 -5.720 3.218 1.00 0.00 C ATOM 1425 C PRO A 90 13.914 -4.450 3.715 1.00 0.00 C ATOM 1426 O PRO A 90 13.256 -3.446 4.011 1.00 0.00 O ATOM 1427 CB PRO A 90 12.853 -6.622 4.412 1.00 0.00 C ATOM 1428 CG PRO A 90 13.822 -7.755 4.364 1.00 0.00 C ATOM 1429 CD PRO A 90 14.162 -7.943 2.920 1.00 0.00 C ATOM 0 HA PRO A 90 12.364 -5.370 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.929 -6.079 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.826 -6.979 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 90 14.714 -7.531 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 90 13.385 -8.661 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 90 15.151 -8.383 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.452 -8.602 2.420 1.00 0.00 H new ATOM 1437 N GLU A 91 15.239 -4.495 3.744 1.00 0.00 N ATOM 1438 CA GLU A 91 16.073 -3.390 4.183 1.00 0.00 C ATOM 1439 C GLU A 91 15.831 -2.136 3.339 1.00 0.00 C ATOM 1440 O GLU A 91 16.045 -1.019 3.810 1.00 0.00 O ATOM 1441 CB GLU A 91 17.551 -3.788 4.119 1.00 0.00 C ATOM 1442 CG GLU A 91 18.029 -4.144 2.723 1.00 0.00 C ATOM 1443 CD GLU A 91 19.480 -4.529 2.674 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.345 -3.633 2.694 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.786 -5.735 2.604 1.00 0.00 O ATOM 0 H GLU A 91 15.772 -5.316 3.457 1.00 0.00 H new ATOM 0 HA GLU A 91 15.805 -3.158 5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.156 -2.966 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.717 -4.640 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.428 -4.969 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.863 -3.294 2.061 1.00 0.00 H new ATOM 1452 N GLU A 92 15.325 -2.320 2.112 1.00 0.00 N ATOM 1453 CA GLU A 92 15.094 -1.184 1.233 1.00 0.00 C ATOM 1454 C GLU A 92 13.959 -0.370 1.793 1.00 0.00 C ATOM 1455 O GLU A 92 14.043 0.838 1.904 1.00 0.00 O ATOM 1456 CB GLU A 92 14.737 -1.632 -0.178 1.00 0.00 C ATOM 1457 CG GLU A 92 14.620 -0.490 -1.190 1.00 0.00 C ATOM 1458 CD GLU A 92 15.933 0.225 -1.437 1.00 0.00 C ATOM 1459 OE1 GLU A 92 16.317 1.108 -0.647 1.00 0.00 O ATOM 1460 OE2 GLU A 92 16.596 -0.073 -2.448 1.00 0.00 O ATOM 0 H GLU A 92 15.075 -3.227 1.719 1.00 0.00 H new ATOM 0 HA GLU A 92 16.009 -0.595 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.494 -2.334 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.791 -2.173 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.246 -0.887 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.883 0.230 -0.833 1.00 0.00 H new ATOM 1467 N ILE A 93 12.927 -1.057 2.224 1.00 0.00 N ATOM 1468 CA ILE A 93 11.768 -0.402 2.738 1.00 0.00 C ATOM 1469 C ILE A 93 12.039 0.238 4.099 1.00 0.00 C ATOM 1470 O ILE A 93 11.443 1.254 4.434 1.00 0.00 O ATOM 1471 CB ILE A 93 10.495 -1.301 2.675 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.144 -1.509 1.190 1.00 0.00 C ATOM 1473 CG2 ILE A 93 9.314 -0.685 3.428 1.00 0.00 C ATOM 1474 CD1 ILE A 93 8.921 -2.349 0.931 1.00 0.00 C ATOM 0 H ILE A 93 12.876 -2.076 2.225 1.00 0.00 H new ATOM 0 HA ILE A 93 11.534 0.431 2.076 1.00 0.00 H new ATOM 0 HB ILE A 93 10.702 -2.254 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.999 -0.533 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.996 -1.974 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.451 -1.347 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.581 -0.550 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.067 0.282 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.760 -2.435 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.065 -3.342 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.052 -1.879 1.392 1.00 0.00 H new ATOM 1486 N GLU A 94 12.996 -0.309 4.851 1.00 0.00 N ATOM 1487 CA GLU A 94 13.366 0.299 6.128 1.00 0.00 C ATOM 1488 C GLU A 94 14.080 1.626 5.836 1.00 0.00 C ATOM 1489 O GLU A 94 13.873 2.637 6.516 1.00 0.00 O ATOM 1490 CB GLU A 94 14.248 -0.629 6.967 1.00 0.00 C ATOM 1491 CG GLU A 94 14.634 -0.035 8.318 1.00 0.00 C ATOM 1492 CD GLU A 94 15.396 -0.996 9.182 1.00 0.00 C ATOM 1493 OE1 GLU A 94 14.762 -1.781 9.919 1.00 0.00 O ATOM 1494 OE2 GLU A 94 16.638 -1.004 9.138 1.00 0.00 O ATOM 0 H GLU A 94 13.517 -1.151 4.606 1.00 0.00 H new ATOM 0 HA GLU A 94 12.466 0.479 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.723 -1.570 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.154 -0.861 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.237 0.858 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.732 0.280 8.842 1.00 0.00 H new ATOM 1501 N ARG A 95 14.872 1.615 4.783 1.00 0.00 N ATOM 1502 CA ARG A 95 15.567 2.790 4.314 1.00 0.00 C ATOM 1503 C ARG A 95 14.528 3.791 3.764 1.00 0.00 C ATOM 1504 O ARG A 95 14.628 4.996 3.962 1.00 0.00 O ATOM 1505 CB ARG A 95 16.643 2.353 3.280 1.00 0.00 C ATOM 1506 CG ARG A 95 17.317 3.451 2.465 1.00 0.00 C ATOM 1507 CD ARG A 95 16.523 3.746 1.208 1.00 0.00 C ATOM 1508 NE ARG A 95 17.133 4.776 0.382 1.00 0.00 N ATOM 1509 CZ ARG A 95 17.160 4.756 -0.953 1.00 0.00 C ATOM 1510 NH1 ARG A 95 16.850 3.633 -1.627 1.00 0.00 N ATOM 1511 NH2 ARG A 95 17.558 5.837 -1.612 1.00 0.00 N ATOM 0 H ARG A 95 15.051 0.780 4.225 1.00 0.00 H new ATOM 0 HA ARG A 95 16.099 3.304 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.419 1.804 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.178 1.654 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 95 17.405 4.356 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.329 3.145 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.423 2.831 0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.516 4.059 1.485 1.00 0.00 H new ATOM 0 HE ARG A 95 17.570 5.567 0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.592 2.788 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.873 3.627 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.839 6.672 -1.099 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.582 5.832 -2.632 1.00 0.00 H new ATOM 1525 N ILE A 96 13.500 3.261 3.135 1.00 0.00 N ATOM 1526 CA ILE A 96 12.406 4.061 2.609 1.00 0.00 C ATOM 1527 C ILE A 96 11.523 4.588 3.778 1.00 0.00 C ATOM 1528 O ILE A 96 10.803 5.549 3.639 1.00 0.00 O ATOM 1529 CB ILE A 96 11.578 3.260 1.526 1.00 0.00 C ATOM 1530 CG1 ILE A 96 12.445 2.966 0.278 1.00 0.00 C ATOM 1531 CG2 ILE A 96 10.286 3.967 1.112 1.00 0.00 C ATOM 1532 CD1 ILE A 96 12.975 4.202 -0.439 1.00 0.00 C ATOM 0 H ILE A 96 13.396 2.259 2.972 1.00 0.00 H new ATOM 0 HA ILE A 96 12.815 4.929 2.092 1.00 0.00 H new ATOM 0 HB ILE A 96 11.289 2.321 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.291 2.347 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 96 11.855 2.380 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.765 3.366 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 96 9.647 4.097 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.525 4.943 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.570 3.896 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 96 12.138 4.814 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 96 13.596 4.781 0.245 1.00 0.00 H new ATOM 1544 N LEU A 97 11.648 3.971 4.948 1.00 0.00 N ATOM 1545 CA LEU A 97 10.922 4.401 6.153 1.00 0.00 C ATOM 1546 C LEU A 97 11.589 5.659 6.704 1.00 0.00 C ATOM 1547 O LEU A 97 11.000 6.438 7.435 1.00 0.00 O ATOM 1548 CB LEU A 97 10.912 3.281 7.212 1.00 0.00 C ATOM 1549 CG LEU A 97 10.194 3.583 8.538 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.697 3.769 8.335 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.473 2.490 9.556 1.00 0.00 C ATOM 0 H LEU A 97 12.251 3.162 5.095 1.00 0.00 H new ATOM 0 HA LEU A 97 9.885 4.620 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.449 2.399 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.946 3.019 7.438 1.00 0.00 H new ATOM 0 HG LEU A 97 10.588 4.523 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.223 3.981 9.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.523 4.601 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.271 2.859 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.957 2.721 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.117 1.535 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.546 2.430 9.740 1.00 0.00 H new ATOM 1563 N GLU A 98 12.820 5.850 6.326 1.00 0.00 N ATOM 1564 CA GLU A 98 13.566 7.021 6.713 1.00 0.00 C ATOM 1565 C GLU A 98 13.123 8.169 5.807 1.00 0.00 C ATOM 1566 O GLU A 98 13.141 9.332 6.169 1.00 0.00 O ATOM 1567 CB GLU A 98 15.037 6.728 6.527 1.00 0.00 C ATOM 1568 CG GLU A 98 15.970 7.769 7.085 1.00 0.00 C ATOM 1569 CD GLU A 98 17.402 7.345 6.970 1.00 0.00 C ATOM 1570 OE1 GLU A 98 17.978 7.454 5.870 1.00 0.00 O ATOM 1571 OE2 GLU A 98 17.994 6.900 7.981 1.00 0.00 O ATOM 0 H GLU A 98 13.340 5.198 5.739 1.00 0.00 H new ATOM 0 HA GLU A 98 13.391 7.291 7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.263 5.771 6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.238 6.616 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.825 8.710 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.727 7.952 8.132 1.00 0.00 H new ATOM 1578 N VAL A 99 12.665 7.774 4.651 1.00 0.00 N ATOM 1579 CA VAL A 99 12.171 8.642 3.596 1.00 0.00 C ATOM 1580 C VAL A 99 10.601 8.688 3.685 1.00 0.00 C ATOM 1581 O VAL A 99 9.910 9.173 2.790 1.00 0.00 O ATOM 1582 CB VAL A 99 12.641 8.011 2.233 1.00 0.00 C ATOM 1583 CG1 VAL A 99 12.221 8.811 1.023 1.00 0.00 C ATOM 1584 CG2 VAL A 99 14.150 7.824 2.213 1.00 0.00 C ATOM 0 H VAL A 99 12.620 6.787 4.398 1.00 0.00 H new ATOM 0 HA VAL A 99 12.549 9.661 3.684 1.00 0.00 H new ATOM 0 HB VAL A 99 12.143 7.043 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.579 8.318 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.134 8.881 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.647 9.812 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.450 7.386 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.638 8.791 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.445 7.161 3.026 1.00 0.00 H new ATOM 1594 N ALA A 100 10.086 8.219 4.830 1.00 0.00 N ATOM 1595 CA ALA A 100 8.637 8.103 5.102 1.00 0.00 C ATOM 1596 C ALA A 100 7.847 9.354 4.855 1.00 0.00 C ATOM 1597 O ALA A 100 6.839 9.325 4.158 1.00 0.00 O ATOM 1598 CB ALA A 100 8.381 7.629 6.520 1.00 0.00 C ATOM 0 H ALA A 100 10.667 7.904 5.607 1.00 0.00 H new ATOM 0 HA ALA A 100 8.287 7.365 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.307 7.553 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.841 6.652 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.811 8.341 7.225 1.00 0.00 H new ATOM 1604 N GLU A 101 8.278 10.428 5.427 1.00 0.00 N ATOM 1605 CA GLU A 101 7.548 11.649 5.291 1.00 0.00 C ATOM 1606 C GLU A 101 8.154 12.628 4.295 1.00 0.00 C ATOM 1607 O GLU A 101 7.432 13.134 3.436 1.00 0.00 O ATOM 1608 CB GLU A 101 7.229 12.304 6.643 1.00 0.00 C ATOM 1609 CG GLU A 101 6.329 11.465 7.536 1.00 0.00 C ATOM 1610 CD GLU A 101 6.099 12.094 8.883 1.00 0.00 C ATOM 1611 OE1 GLU A 101 5.331 13.070 8.979 1.00 0.00 O ATOM 1612 OE2 GLU A 101 6.683 11.614 9.880 1.00 0.00 O ATOM 0 H GLU A 101 9.126 10.488 5.990 1.00 0.00 H new ATOM 0 HA GLU A 101 6.594 11.356 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.163 12.503 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.752 13.268 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.370 11.316 7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.775 10.479 7.671 1.00 0.00 H new ATOM 1619 N PRO A 102 9.457 12.949 4.375 1.00 0.00 N ATOM 1620 CA PRO A 102 10.044 13.889 3.468 1.00 0.00 C ATOM 1621 C PRO A 102 10.419 13.259 2.129 1.00 0.00 C ATOM 1622 O PRO A 102 11.517 12.668 2.005 1.00 0.00 O ATOM 1623 CB PRO A 102 11.271 14.398 4.217 1.00 0.00 C ATOM 1624 CG PRO A 102 11.257 13.710 5.544 1.00 0.00 C ATOM 1625 CD PRO A 102 10.453 12.482 5.341 1.00 0.00 C ATOM 1626 OXT PRO A 102 9.613 13.344 1.180 1.00 0.00 O ATOM 0 HA PRO A 102 9.350 14.686 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.185 14.170 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.233 15.481 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.268 13.468 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 102 10.816 14.346 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.051 11.659 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 102 9.996 12.132 6.267 1.00 0.00 H new