USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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 Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0.854 K(o=0.85,f=-3.7!) USER MOD Single : P 4 GLN : amide:sc= 0.484 K(o=0.48,f=-0.028) USER MOD Single : P 6 THR OG1 : rot 61:sc= 0.133 USER MOD Single : P 7 HIS : no HD1:sc= 0.821 K(o=0.82,f=-6.5!) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.29 USER MOD Single : P -1 GLY N :NH3+ 144:sc= 0.0164 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 12 GLN : amide:sc= 1.26 K(o=1.3,f=-3.9!) USER MOD Single : P 14 GLN : amide:sc= 0.844 K(o=0.84,f=-0.035) USER MOD Single : P 19 THR OG1 : rot 180:sc= 0 USER MOD Single : P 21 GLN : amide:sc= 0.903 K(o=0.9,f=-0.056) USER MOD Single : P 23 ASN : amide:sc= 0.0293 K(o=0.029,f=-4.2!) USER MOD Single : P 24 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl -118:sc= 0 (180deg=-0.0392) USER MOD Single : P 29 SER OG : rot 180:sc= 0 USER MOD Single : P 30 THR OG1 : rot -160:sc= 0.773 USER MOD Single : P 38 THR OG1 : rot -95:sc= 0.823 USER MOD Single : P 39 ASN : amide:sc=-0.00794 K(o=-0.0079,f=-0.92) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 0.995 K(o=0.99,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 58 LYS NZ :NH3+ 157:sc= 1.02 (180deg=0.687) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -11.532 15.976 32.109 1.00 0.00 N ATOM 2 CA GLY P -1 -10.244 15.862 31.391 1.00 0.00 C ATOM 3 C GLY P -1 -10.253 14.686 30.425 1.00 0.00 C ATOM 4 O GLY P -1 -10.802 13.628 30.745 1.00 0.00 O ATOM 0 H1 GLY P -1 -11.359 16.293 33.084 1.00 0.00 H new ATOM 0 H2 GLY P -1 -12.140 16.666 31.623 1.00 0.00 H new ATOM 0 H3 GLY P -1 -12.004 15.049 32.125 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -10.047 16.784 30.844 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -9.434 15.739 32.110 1.00 0.00 H new ATOM 10 N SER P 0 -9.638 14.856 29.250 1.00 0.00 N ATOM 11 CA SER P 0 -9.628 13.873 28.147 1.00 0.00 C ATOM 12 C SER P 0 -8.240 13.727 27.509 1.00 0.00 C ATOM 13 O SER P 0 -7.466 14.689 27.454 1.00 0.00 O ATOM 14 CB SER P 0 -10.646 14.270 27.066 1.00 0.00 C ATOM 15 OG SER P 0 -11.961 14.333 27.601 1.00 0.00 O ATOM 0 H SER P 0 -9.117 15.704 29.028 1.00 0.00 H new ATOM 0 HA SER P 0 -9.901 12.911 28.580 1.00 0.00 H new ATOM 0 HB2 SER P 0 -10.375 15.238 26.644 1.00 0.00 H new ATOM 0 HB3 SER P 0 -10.616 13.547 26.251 1.00 0.00 H new ATOM 0 HG SER P 0 -12.590 14.589 26.894 1.00 0.00 H new ATOM 21 N GLN P 1 -7.932 12.534 26.984 1.00 0.00 N ATOM 22 CA GLN P 1 -6.630 12.210 26.375 1.00 0.00 C ATOM 23 C GLN P 1 -6.348 12.995 25.082 1.00 0.00 C ATOM 24 O GLN P 1 -5.192 13.315 24.797 1.00 0.00 O ATOM 25 CB GLN P 1 -6.562 10.702 26.071 1.00 0.00 C ATOM 26 CG GLN P 1 -6.539 9.814 27.325 1.00 0.00 C ATOM 27 CD GLN P 1 -6.412 8.322 27.001 1.00 0.00 C ATOM 28 OE1 GLN P 1 -6.484 7.875 25.860 1.00 0.00 O ATOM 29 NE2 GLN P 1 -6.232 7.480 27.995 1.00 0.00 N ATOM 0 H GLN P 1 -8.588 11.753 26.969 1.00 0.00 H new ATOM 0 HA GLN P 1 -5.869 12.499 27.099 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -7.420 10.426 25.458 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -5.669 10.501 25.479 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -5.706 10.114 27.961 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -7.452 9.979 27.897 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -6.169 7.827 28.952 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -6.155 6.480 27.809 1.00 0.00 H new ATOM 38 N ARG P 2 -7.395 13.289 24.289 1.00 0.00 N ATOM 39 CA ARG P 2 -7.364 14.006 22.989 1.00 0.00 C ATOM 40 C ARG P 2 -6.488 13.369 21.889 1.00 0.00 C ATOM 41 O ARG P 2 -6.339 13.943 20.806 1.00 0.00 O ATOM 42 CB ARG P 2 -7.062 15.503 23.224 1.00 0.00 C ATOM 43 CG ARG P 2 -8.161 16.204 24.046 1.00 0.00 C ATOM 44 CD ARG P 2 -7.752 17.624 24.455 1.00 0.00 C ATOM 45 NE ARG P 2 -6.708 17.609 25.502 1.00 0.00 N ATOM 46 CZ ARG P 2 -5.943 18.621 25.871 1.00 0.00 C ATOM 47 NH1 ARG P 2 -6.045 19.804 25.332 1.00 0.00 N ATOM 48 NH2 ARG P 2 -5.048 18.461 26.804 1.00 0.00 N ATOM 0 H ARG P 2 -8.344 13.019 24.549 1.00 0.00 H new ATOM 0 HA ARG P 2 -8.363 13.907 22.565 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -6.108 15.601 23.741 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -6.956 16.005 22.262 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -9.080 16.245 23.462 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -8.377 15.617 24.939 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -7.385 18.163 23.582 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -8.626 18.164 24.819 1.00 0.00 H new ATOM 0 HE ARG P 2 -6.563 16.725 25.990 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -6.734 19.973 24.599 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -5.436 20.561 25.644 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -4.936 17.552 27.253 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -4.459 19.245 27.086 1.00 0.00 H new ATOM 62 N ARG P 3 -5.949 12.165 22.120 1.00 0.00 N ATOM 63 CA ARG P 3 -5.181 11.379 21.135 1.00 0.00 C ATOM 64 C ARG P 3 -6.097 10.870 20.019 1.00 0.00 C ATOM 65 O ARG P 3 -7.231 10.464 20.274 1.00 0.00 O ATOM 66 CB ARG P 3 -4.439 10.211 21.821 1.00 0.00 C ATOM 67 CG ARG P 3 -3.479 10.617 22.957 1.00 0.00 C ATOM 68 CD ARG P 3 -2.438 11.683 22.581 1.00 0.00 C ATOM 69 NE ARG P 3 -1.531 11.227 21.507 1.00 0.00 N ATOM 70 CZ ARG P 3 -0.633 11.959 20.870 1.00 0.00 C ATOM 71 NH1 ARG P 3 -0.458 13.224 21.129 1.00 0.00 N ATOM 72 NH2 ARG P 3 0.116 11.426 19.948 1.00 0.00 N ATOM 0 H ARG P 3 -6.035 11.694 23.021 1.00 0.00 H new ATOM 0 HA ARG P 3 -4.432 12.031 20.686 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -5.179 9.518 22.223 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -3.872 9.668 21.065 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -4.069 10.987 23.795 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -2.955 9.727 23.305 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -2.950 12.590 22.260 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -1.852 11.942 23.463 1.00 0.00 H new ATOM 0 HE ARG P 3 -1.605 10.248 21.229 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -1.024 13.681 21.844 1.00 0.00 H new ATOM 0 HH12 ARG P 3 0.245 13.757 20.617 1.00 0.00 H new ATOM 0 HH21 ARG P 3 0.012 10.439 19.714 1.00 0.00 H new ATOM 0 HH22 ARG P 3 0.807 11.996 19.460 1.00 0.00 H new ATOM 86 N GLN P 4 -5.598 10.882 18.783 1.00 0.00 N ATOM 87 CA GLN P 4 -6.390 10.572 17.580 1.00 0.00 C ATOM 88 C GLN P 4 -6.419 9.070 17.225 1.00 0.00 C ATOM 89 O GLN P 4 -7.241 8.653 16.407 1.00 0.00 O ATOM 90 CB GLN P 4 -5.888 11.436 16.409 1.00 0.00 C ATOM 91 CG GLN P 4 -5.956 12.955 16.675 1.00 0.00 C ATOM 92 CD GLN P 4 -7.374 13.453 16.958 1.00 0.00 C ATOM 93 OE1 GLN P 4 -8.241 13.462 16.094 1.00 0.00 O ATOM 94 NE2 GLN P 4 -7.684 13.874 18.168 1.00 0.00 N ATOM 0 H GLN P 4 -4.624 11.109 18.581 1.00 0.00 H new ATOM 0 HA GLN P 4 -7.430 10.820 17.794 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -4.857 11.163 16.185 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -6.478 11.206 15.522 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -5.316 13.198 17.523 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -5.556 13.487 15.812 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -6.978 13.876 18.904 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -8.630 14.198 18.368 1.00 0.00 H new ATOM 103 N ARG P 5 -5.544 8.256 17.845 1.00 0.00 N ATOM 104 CA ARG P 5 -5.497 6.772 17.778 1.00 0.00 C ATOM 105 C ARG P 5 -5.459 6.164 16.358 1.00 0.00 C ATOM 106 O ARG P 5 -5.815 5.001 16.166 1.00 0.00 O ATOM 107 CB ARG P 5 -6.611 6.167 18.665 1.00 0.00 C ATOM 108 CG ARG P 5 -6.535 6.590 20.145 1.00 0.00 C ATOM 109 CD ARG P 5 -7.651 5.900 20.941 1.00 0.00 C ATOM 110 NE ARG P 5 -7.619 6.252 22.376 1.00 0.00 N ATOM 111 CZ ARG P 5 -8.475 5.836 23.295 1.00 0.00 C ATOM 112 NH1 ARG P 5 -9.474 5.048 23.006 1.00 0.00 N ATOM 113 NH2 ARG P 5 -8.352 6.201 24.538 1.00 0.00 N ATOM 0 H ARG P 5 -4.807 8.631 18.441 1.00 0.00 H new ATOM 0 HA ARG P 5 -4.525 6.486 18.180 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -7.581 6.461 18.263 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -6.558 5.080 18.606 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -5.563 6.324 20.559 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -6.632 7.672 20.229 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -8.618 6.179 20.523 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -7.557 4.820 20.832 1.00 0.00 H new ATOM 0 HE ARG P 5 -6.870 6.871 22.686 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -9.614 4.733 22.046 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -10.115 4.747 23.740 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -7.587 6.816 24.816 1.00 0.00 H new ATOM 0 HH22 ARG P 5 -9.020 5.872 25.235 1.00 0.00 H new ATOM 127 N THR P 6 -5.021 6.935 15.359 1.00 0.00 N ATOM 128 CA THR P 6 -4.988 6.535 13.938 1.00 0.00 C ATOM 129 C THR P 6 -3.613 5.975 13.557 1.00 0.00 C ATOM 130 O THR P 6 -2.584 6.588 13.847 1.00 0.00 O ATOM 131 CB THR P 6 -5.393 7.714 13.035 1.00 0.00 C ATOM 132 OG1 THR P 6 -6.711 8.122 13.346 1.00 0.00 O ATOM 133 CG2 THR P 6 -5.396 7.368 11.545 1.00 0.00 C ATOM 0 H THR P 6 -4.669 7.880 15.514 1.00 0.00 H new ATOM 0 HA THR P 6 -5.715 5.737 13.787 1.00 0.00 H new ATOM 0 HB THR P 6 -4.652 8.492 13.220 1.00 0.00 H new ATOM 0 HG1 THR P 6 -6.751 8.416 14.280 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.691 8.245 10.968 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.397 7.054 11.242 1.00 0.00 H new ATOM 0 HG23 THR P 6 -6.102 6.559 11.361 1.00 0.00 H new ATOM 141 N HIS P 7 -3.591 4.810 12.899 1.00 0.00 N ATOM 142 CA HIS P 7 -2.357 4.099 12.512 1.00 0.00 C ATOM 143 C HIS P 7 -1.804 4.536 11.143 1.00 0.00 C ATOM 144 O HIS P 7 -0.598 4.442 10.908 1.00 0.00 O ATOM 145 CB HIS P 7 -2.616 2.583 12.523 1.00 0.00 C ATOM 146 CG HIS P 7 -2.739 1.954 13.894 1.00 0.00 C ATOM 147 ND1 HIS P 7 -1.981 0.865 14.342 1.00 0.00 N ATOM 148 CD2 HIS P 7 -3.627 2.295 14.874 1.00 0.00 C ATOM 149 CE1 HIS P 7 -2.411 0.596 15.588 1.00 0.00 C ATOM 150 NE2 HIS P 7 -3.401 1.438 15.929 1.00 0.00 N ATOM 0 H HIS P 7 -4.441 4.323 12.614 1.00 0.00 H new ATOM 0 HA HIS P 7 -1.594 4.359 13.245 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -3.533 2.384 11.968 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -1.805 2.089 11.987 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -4.364 3.084 14.830 1.00 0.00 H new ATOM 0 HE1 HIS P 7 -2.017 -0.184 16.223 1.00 0.00 H new ATOM 0 HE2 HIS P 7 -3.901 1.442 16.818 1.00 0.00 H new ATOM 158 N PHE P 8 -2.670 5.017 10.245 1.00 0.00 N ATOM 159 CA PHE P 8 -2.308 5.497 8.906 1.00 0.00 C ATOM 160 C PHE P 8 -1.762 6.935 8.921 1.00 0.00 C ATOM 161 O PHE P 8 -2.020 7.704 9.852 1.00 0.00 O ATOM 162 CB PHE P 8 -3.520 5.395 7.969 1.00 0.00 C ATOM 163 CG PHE P 8 -4.071 3.991 7.793 1.00 0.00 C ATOM 164 CD1 PHE P 8 -3.550 3.153 6.790 1.00 0.00 C ATOM 165 CD2 PHE P 8 -5.100 3.519 8.632 1.00 0.00 C ATOM 166 CE1 PHE P 8 -4.049 1.848 6.632 1.00 0.00 C ATOM 167 CE2 PHE P 8 -5.588 2.208 8.484 1.00 0.00 C ATOM 168 CZ PHE P 8 -5.059 1.371 7.486 1.00 0.00 C ATOM 0 H PHE P 8 -3.670 5.085 10.434 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.505 4.858 8.538 1.00 0.00 H new ATOM 0 HB2 PHE P 8 -4.313 6.036 8.353 1.00 0.00 H new ATOM 0 HB3 PHE P 8 -3.239 5.786 6.991 1.00 0.00 H new ATOM 0 HD1 PHE P 8 -2.766 3.513 6.141 1.00 0.00 H new ATOM 0 HD2 PHE P 8 -5.515 4.166 9.391 1.00 0.00 H new ATOM 0 HE1 PHE P 8 -3.656 1.211 5.853 1.00 0.00 H new ATOM 0 HE2 PHE P 8 -6.368 1.845 9.136 1.00 0.00 H new ATOM 0 HZ PHE P 8 -5.428 0.362 7.375 1.00 0.00 H new ATOM 178 N THR P 9 -1.051 7.320 7.859 1.00 0.00 N ATOM 179 CA THR P 9 -0.573 8.697 7.636 1.00 0.00 C ATOM 180 C THR P 9 -1.494 9.458 6.690 1.00 0.00 C ATOM 181 O THR P 9 -2.173 8.864 5.847 1.00 0.00 O ATOM 182 CB THR P 9 0.870 8.769 7.100 1.00 0.00 C ATOM 183 OG1 THR P 9 0.912 8.544 5.706 1.00 0.00 O ATOM 184 CG2 THR P 9 1.816 7.774 7.766 1.00 0.00 C ATOM 0 H THR P 9 -0.784 6.677 7.114 1.00 0.00 H new ATOM 0 HA THR P 9 -0.582 9.164 8.621 1.00 0.00 H new ATOM 0 HB THR P 9 1.207 9.778 7.338 1.00 0.00 H new ATOM 0 HG1 THR P 9 1.839 8.597 5.394 1.00 0.00 H new ATOM 0 HG21 THR P 9 2.814 7.880 7.340 1.00 0.00 H new ATOM 0 HG22 THR P 9 1.856 7.971 8.837 1.00 0.00 H new ATOM 0 HG23 THR P 9 1.455 6.760 7.597 1.00 0.00 H new ATOM 192 N SER P 10 -1.452 10.790 6.747 1.00 0.00 N ATOM 193 CA SER P 10 -2.199 11.668 5.835 1.00 0.00 C ATOM 194 C SER P 10 -1.811 11.516 4.354 1.00 0.00 C ATOM 195 O SER P 10 -2.517 12.052 3.501 1.00 0.00 O ATOM 196 CB SER P 10 -2.052 13.132 6.257 1.00 0.00 C ATOM 197 OG SER P 10 -2.285 13.291 7.652 1.00 0.00 O ATOM 0 H SER P 10 -0.894 11.298 7.433 1.00 0.00 H new ATOM 0 HA SER P 10 -3.239 11.352 5.916 1.00 0.00 H new ATOM 0 HB2 SER P 10 -1.051 13.486 6.010 1.00 0.00 H new ATOM 0 HB3 SER P 10 -2.755 13.747 5.696 1.00 0.00 H new ATOM 0 HG SER P 10 -2.183 14.235 7.895 1.00 0.00 H new ATOM 203 N GLN P 11 -0.737 10.779 4.033 1.00 0.00 N ATOM 204 CA GLN P 11 -0.328 10.426 2.668 1.00 0.00 C ATOM 205 C GLN P 11 -0.803 9.019 2.256 1.00 0.00 C ATOM 206 O GLN P 11 -1.303 8.850 1.143 1.00 0.00 O ATOM 207 CB GLN P 11 1.199 10.581 2.561 1.00 0.00 C ATOM 208 CG GLN P 11 1.697 10.472 1.112 1.00 0.00 C ATOM 209 CD GLN P 11 3.196 10.747 1.007 1.00 0.00 C ATOM 210 OE1 GLN P 11 3.637 11.836 0.657 1.00 0.00 O ATOM 211 NE2 GLN P 11 4.044 9.786 1.315 1.00 0.00 N ATOM 0 H GLN P 11 -0.109 10.400 4.742 1.00 0.00 H new ATOM 0 HA GLN P 11 -0.810 11.105 1.964 1.00 0.00 H new ATOM 0 HB2 GLN P 11 1.493 11.547 2.972 1.00 0.00 H new ATOM 0 HB3 GLN P 11 1.683 9.815 3.167 1.00 0.00 H new ATOM 0 HG2 GLN P 11 1.482 9.475 0.728 1.00 0.00 H new ATOM 0 HG3 GLN P 11 1.153 11.179 0.486 1.00 0.00 H new ATOM 0 HE21 GLN P 11 3.696 8.873 1.608 1.00 0.00 H new ATOM 0 HE22 GLN P 11 5.048 9.955 1.260 1.00 0.00 H new ATOM 220 N GLN P 12 -0.725 8.017 3.144 1.00 0.00 N ATOM 221 CA GLN P 12 -1.180 6.640 2.867 1.00 0.00 C ATOM 222 C GLN P 12 -2.673 6.598 2.526 1.00 0.00 C ATOM 223 O GLN P 12 -3.089 5.951 1.563 1.00 0.00 O ATOM 224 CB GLN P 12 -0.940 5.754 4.096 1.00 0.00 C ATOM 225 CG GLN P 12 0.542 5.466 4.335 1.00 0.00 C ATOM 226 CD GLN P 12 0.773 4.690 5.628 1.00 0.00 C ATOM 227 OE1 GLN P 12 0.045 4.803 6.606 1.00 0.00 O ATOM 228 NE2 GLN P 12 1.797 3.874 5.675 1.00 0.00 N ATOM 0 H GLN P 12 -0.342 8.137 4.082 1.00 0.00 H new ATOM 0 HA GLN P 12 -0.611 6.274 2.012 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.358 6.241 4.977 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.473 4.812 3.969 1.00 0.00 H new ATOM 0 HG2 GLN P 12 0.941 4.897 3.495 1.00 0.00 H new ATOM 0 HG3 GLN P 12 1.092 6.406 4.373 1.00 0.00 H new ATOM 0 HE21 GLN P 12 2.408 3.775 4.864 1.00 0.00 H new ATOM 0 HE22 GLN P 12 1.983 3.338 6.523 1.00 0.00 H new ATOM 237 N LEU P 13 -3.469 7.350 3.292 1.00 0.00 N ATOM 238 CA LEU P 13 -4.918 7.494 3.116 1.00 0.00 C ATOM 239 C LEU P 13 -5.311 7.978 1.709 1.00 0.00 C ATOM 240 O LEU P 13 -6.361 7.585 1.198 1.00 0.00 O ATOM 241 CB LEU P 13 -5.426 8.490 4.171 1.00 0.00 C ATOM 242 CG LEU P 13 -5.264 7.996 5.624 1.00 0.00 C ATOM 243 CD1 LEU P 13 -5.451 9.151 6.604 1.00 0.00 C ATOM 244 CD2 LEU P 13 -6.245 6.879 5.957 1.00 0.00 C ATOM 0 H LEU P 13 -3.111 7.893 4.078 1.00 0.00 H new ATOM 0 HA LEU P 13 -5.375 6.512 3.239 1.00 0.00 H new ATOM 0 HB2 LEU P 13 -4.890 9.432 4.056 1.00 0.00 H new ATOM 0 HB3 LEU P 13 -6.479 8.698 3.983 1.00 0.00 H new ATOM 0 HG LEU P 13 -4.254 7.598 5.718 1.00 0.00 H new ATOM 0 HD11 LEU P 13 -5.334 8.785 7.624 1.00 0.00 H new ATOM 0 HD12 LEU P 13 -4.705 9.920 6.406 1.00 0.00 H new ATOM 0 HD13 LEU P 13 -6.449 9.573 6.483 1.00 0.00 H new ATOM 0 HD21 LEU P 13 -6.097 6.561 6.989 1.00 0.00 H new ATOM 0 HD22 LEU P 13 -7.265 7.242 5.832 1.00 0.00 H new ATOM 0 HD23 LEU P 13 -6.075 6.035 5.289 1.00 0.00 H new ATOM 256 N GLN P 14 -4.460 8.786 1.068 1.00 0.00 N ATOM 257 CA GLN P 14 -4.701 9.304 -0.285 1.00 0.00 C ATOM 258 C GLN P 14 -4.575 8.199 -1.338 1.00 0.00 C ATOM 259 O GLN P 14 -5.410 8.100 -2.234 1.00 0.00 O ATOM 260 CB GLN P 14 -3.736 10.454 -0.632 1.00 0.00 C ATOM 261 CG GLN P 14 -3.597 11.535 0.446 1.00 0.00 C ATOM 262 CD GLN P 14 -4.913 12.171 0.889 1.00 0.00 C ATOM 263 OE1 GLN P 14 -5.852 12.363 0.126 1.00 0.00 O ATOM 264 NE2 GLN P 14 -5.020 12.534 2.148 1.00 0.00 N ATOM 0 H GLN P 14 -3.579 9.101 1.475 1.00 0.00 H new ATOM 0 HA GLN P 14 -5.721 9.687 -0.295 1.00 0.00 H new ATOM 0 HB2 GLN P 14 -2.751 10.033 -0.831 1.00 0.00 H new ATOM 0 HB3 GLN P 14 -4.074 10.925 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN P 14 -3.109 11.098 1.318 1.00 0.00 H new ATOM 0 HG3 GLN P 14 -2.939 12.319 0.072 1.00 0.00 H new ATOM 0 HE21 GLN P 14 -4.244 12.378 2.791 1.00 0.00 H new ATOM 0 HE22 GLN P 14 -5.879 12.971 2.481 1.00 0.00 H new ATOM 273 N GLU P 15 -3.564 7.335 -1.213 1.00 0.00 N ATOM 274 CA GLU P 15 -3.343 6.218 -2.143 1.00 0.00 C ATOM 275 C GLU P 15 -4.409 5.128 -1.981 1.00 0.00 C ATOM 276 O GLU P 15 -4.855 4.544 -2.970 1.00 0.00 O ATOM 277 CB GLU P 15 -1.930 5.637 -1.960 1.00 0.00 C ATOM 278 CG GLU P 15 -0.802 6.680 -2.048 1.00 0.00 C ATOM 279 CD GLU P 15 -0.865 7.578 -3.306 1.00 0.00 C ATOM 280 OE1 GLU P 15 -1.186 7.082 -4.412 1.00 0.00 O ATOM 281 OE2 GLU P 15 -0.568 8.793 -3.197 1.00 0.00 O ATOM 0 H GLU P 15 -2.873 7.388 -0.464 1.00 0.00 H new ATOM 0 HA GLU P 15 -3.429 6.607 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.876 5.141 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -1.763 4.873 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -0.838 7.313 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU P 15 0.158 6.163 -2.032 1.00 0.00 H new ATOM 288 N LEU P 16 -4.877 4.914 -0.748 1.00 0.00 N ATOM 289 CA LEU P 16 -5.978 4.011 -0.427 1.00 0.00 C ATOM 290 C LEU P 16 -7.300 4.494 -1.040 1.00 0.00 C ATOM 291 O LEU P 16 -7.935 3.745 -1.780 1.00 0.00 O ATOM 292 CB LEU P 16 -6.069 3.878 1.101 1.00 0.00 C ATOM 293 CG LEU P 16 -4.914 3.055 1.701 1.00 0.00 C ATOM 294 CD1 LEU P 16 -4.735 3.374 3.180 1.00 0.00 C ATOM 295 CD2 LEU P 16 -5.181 1.558 1.545 1.00 0.00 C ATOM 0 H LEU P 16 -4.488 5.377 0.073 1.00 0.00 H new ATOM 0 HA LEU P 16 -5.786 3.030 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU P 16 -6.070 4.872 1.548 1.00 0.00 H new ATOM 0 HB3 LEU P 16 -7.017 3.409 1.364 1.00 0.00 H new ATOM 0 HG LEU P 16 -4.005 3.320 1.161 1.00 0.00 H new ATOM 0 HD11 LEU P 16 -3.914 2.781 3.583 1.00 0.00 H new ATOM 0 HD12 LEU P 16 -4.510 4.434 3.299 1.00 0.00 H new ATOM 0 HD13 LEU P 16 -5.653 3.135 3.717 1.00 0.00 H new ATOM 0 HD21 LEU P 16 -4.353 0.994 1.975 1.00 0.00 H new ATOM 0 HD22 LEU P 16 -6.105 1.297 2.061 1.00 0.00 H new ATOM 0 HD23 LEU P 16 -5.275 1.314 0.487 1.00 0.00 H new ATOM 307 N GLU P 17 -7.692 5.755 -0.820 1.00 0.00 N ATOM 308 CA GLU P 17 -8.945 6.263 -1.397 1.00 0.00 C ATOM 309 C GLU P 17 -8.890 6.501 -2.910 1.00 0.00 C ATOM 310 O GLU P 17 -9.933 6.439 -3.561 1.00 0.00 O ATOM 311 CB GLU P 17 -9.507 7.465 -0.622 1.00 0.00 C ATOM 312 CG GLU P 17 -8.907 8.845 -0.921 1.00 0.00 C ATOM 313 CD GLU P 17 -9.696 9.977 -0.222 1.00 0.00 C ATOM 314 OE1 GLU P 17 -10.492 9.705 0.716 1.00 0.00 O ATOM 315 OE2 GLU P 17 -9.555 11.153 -0.633 1.00 0.00 O ATOM 0 H GLU P 17 -7.173 6.431 -0.259 1.00 0.00 H new ATOM 0 HA GLU P 17 -9.662 5.451 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU P 17 -10.579 7.516 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU P 17 -9.381 7.267 0.443 1.00 0.00 H new ATOM 0 HG2 GLU P 17 -7.868 8.869 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU P 17 -8.904 9.015 -1.998 1.00 0.00 H new ATOM 322 N ALA P 18 -7.701 6.706 -3.488 1.00 0.00 N ATOM 323 CA ALA P 18 -7.518 6.799 -4.937 1.00 0.00 C ATOM 324 C ALA P 18 -7.587 5.422 -5.619 1.00 0.00 C ATOM 325 O ALA P 18 -8.309 5.259 -6.604 1.00 0.00 O ATOM 326 CB ALA P 18 -6.198 7.516 -5.239 1.00 0.00 C ATOM 0 H ALA P 18 -6.835 6.812 -2.959 1.00 0.00 H new ATOM 0 HA ALA P 18 -8.340 7.382 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA P 18 -6.060 7.586 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA P 18 -6.222 8.518 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA P 18 -5.371 6.955 -4.804 1.00 0.00 H new ATOM 332 N THR P 19 -6.903 4.403 -5.083 1.00 0.00 N ATOM 333 CA THR P 19 -6.928 3.053 -5.674 1.00 0.00 C ATOM 334 C THR P 19 -8.293 2.370 -5.502 1.00 0.00 C ATOM 335 O THR P 19 -8.738 1.632 -6.381 1.00 0.00 O ATOM 336 CB THR P 19 -5.752 2.202 -5.171 1.00 0.00 C ATOM 337 OG1 THR P 19 -5.451 1.235 -6.153 1.00 0.00 O ATOM 338 CG2 THR P 19 -6.019 1.480 -3.851 1.00 0.00 C ATOM 0 H THR P 19 -6.327 4.484 -4.245 1.00 0.00 H new ATOM 0 HA THR P 19 -6.792 3.159 -6.750 1.00 0.00 H new ATOM 0 HB THR P 19 -4.925 2.889 -4.989 1.00 0.00 H new ATOM 0 HG1 THR P 19 -4.701 0.683 -5.849 1.00 0.00 H new ATOM 0 HG21 THR P 19 -5.139 0.903 -3.568 1.00 0.00 H new ATOM 0 HG22 THR P 19 -6.238 2.212 -3.074 1.00 0.00 H new ATOM 0 HG23 THR P 19 -6.870 0.810 -3.969 1.00 0.00 H new ATOM 346 N PHE P 20 -9.035 2.726 -4.446 1.00 0.00 N ATOM 347 CA PHE P 20 -10.435 2.347 -4.222 1.00 0.00 C ATOM 348 C PHE P 20 -11.370 2.797 -5.362 1.00 0.00 C ATOM 349 O PHE P 20 -12.371 2.133 -5.626 1.00 0.00 O ATOM 350 CB PHE P 20 -10.875 2.924 -2.863 1.00 0.00 C ATOM 351 CG PHE P 20 -12.335 2.747 -2.469 1.00 0.00 C ATOM 352 CD1 PHE P 20 -12.951 1.481 -2.522 1.00 0.00 C ATOM 353 CD2 PHE P 20 -13.075 3.854 -2.006 1.00 0.00 C ATOM 354 CE1 PHE P 20 -14.293 1.324 -2.131 1.00 0.00 C ATOM 355 CE2 PHE P 20 -14.420 3.699 -1.619 1.00 0.00 C ATOM 356 CZ PHE P 20 -15.028 2.433 -1.680 1.00 0.00 C ATOM 0 H PHE P 20 -8.662 3.308 -3.696 1.00 0.00 H new ATOM 0 HA PHE P 20 -10.508 1.259 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE P 20 -10.259 2.469 -2.088 1.00 0.00 H new ATOM 0 HB3 PHE P 20 -10.652 3.991 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE P 20 -12.389 0.625 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE P 20 -12.608 4.826 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE P 20 -14.758 0.351 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE P 20 -14.985 4.553 -1.275 1.00 0.00 H new ATOM 0 HZ PHE P 20 -16.059 2.313 -1.381 1.00 0.00 H new ATOM 366 N GLN P 21 -11.037 3.873 -6.093 1.00 0.00 N ATOM 367 CA GLN P 21 -11.844 4.331 -7.233 1.00 0.00 C ATOM 368 C GLN P 21 -11.713 3.423 -8.466 1.00 0.00 C ATOM 369 O GLN P 21 -12.706 3.167 -9.152 1.00 0.00 O ATOM 370 CB GLN P 21 -11.479 5.771 -7.635 1.00 0.00 C ATOM 371 CG GLN P 21 -11.551 6.825 -6.525 1.00 0.00 C ATOM 372 CD GLN P 21 -12.815 6.738 -5.674 1.00 0.00 C ATOM 373 OE1 GLN P 21 -13.938 6.794 -6.158 1.00 0.00 O ATOM 374 NE2 GLN P 21 -12.677 6.587 -4.376 1.00 0.00 N ATOM 0 H GLN P 21 -10.211 4.443 -5.913 1.00 0.00 H new ATOM 0 HA GLN P 21 -12.878 4.291 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN P 21 -10.466 5.767 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN P 21 -12.143 6.079 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN P 21 -10.680 6.718 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN P 21 -11.494 7.817 -6.974 1.00 0.00 H new ATOM 0 HE21 GLN P 21 -11.745 6.539 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN P 21 -13.502 6.517 -3.780 1.00 0.00 H new ATOM 383 N ARG P 22 -10.497 2.929 -8.747 1.00 0.00 N ATOM 384 CA ARG P 22 -10.205 2.019 -9.875 1.00 0.00 C ATOM 385 C ARG P 22 -10.417 0.542 -9.539 1.00 0.00 C ATOM 386 O ARG P 22 -10.674 -0.256 -10.440 1.00 0.00 O ATOM 387 CB ARG P 22 -8.798 2.281 -10.445 1.00 0.00 C ATOM 388 CG ARG P 22 -7.653 2.089 -9.436 1.00 0.00 C ATOM 389 CD ARG P 22 -6.265 2.327 -10.046 1.00 0.00 C ATOM 390 NE ARG P 22 -5.910 1.303 -11.051 1.00 0.00 N ATOM 391 CZ ARG P 22 -5.857 1.438 -12.366 1.00 0.00 C ATOM 392 NH1 ARG P 22 -6.144 2.558 -12.968 1.00 0.00 N ATOM 393 NH2 ARG P 22 -5.511 0.431 -13.114 1.00 0.00 N ATOM 0 H ARG P 22 -9.672 3.152 -8.190 1.00 0.00 H new ATOM 0 HA ARG P 22 -10.936 2.247 -10.651 1.00 0.00 H new ATOM 0 HB2 ARG P 22 -8.634 1.615 -11.292 1.00 0.00 H new ATOM 0 HB3 ARG P 22 -8.760 3.301 -10.829 1.00 0.00 H new ATOM 0 HG2 ARG P 22 -7.797 2.772 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG P 22 -7.698 1.077 -9.034 1.00 0.00 H new ATOM 0 HD2 ARG P 22 -6.239 3.313 -10.510 1.00 0.00 H new ATOM 0 HD3 ARG P 22 -5.518 2.329 -9.253 1.00 0.00 H new ATOM 0 HE ARG P 22 -5.677 0.379 -10.686 1.00 0.00 H new ATOM 0 HH11 ARG P 22 -6.422 3.374 -12.422 1.00 0.00 H new ATOM 0 HH12 ARG P 22 -6.090 2.619 -13.985 1.00 0.00 H new ATOM 0 HH21 ARG P 22 -5.280 -0.466 -12.687 1.00 0.00 H new ATOM 0 HH22 ARG P 22 -5.471 0.539 -14.128 1.00 0.00 H new ATOM 407 N ASN P 23 -10.344 0.184 -8.257 1.00 0.00 N ATOM 408 CA ASN P 23 -10.595 -1.159 -7.749 1.00 0.00 C ATOM 409 C ASN P 23 -11.433 -1.090 -6.463 1.00 0.00 C ATOM 410 O ASN P 23 -10.915 -0.784 -5.391 1.00 0.00 O ATOM 411 CB ASN P 23 -9.250 -1.876 -7.520 1.00 0.00 C ATOM 412 CG ASN P 23 -9.449 -3.364 -7.266 1.00 0.00 C ATOM 413 OD1 ASN P 23 -10.547 -3.852 -7.037 1.00 0.00 O ATOM 414 ND2 ASN P 23 -8.397 -4.147 -7.330 1.00 0.00 N ATOM 0 H ASN P 23 -10.100 0.846 -7.521 1.00 0.00 H new ATOM 0 HA ASN P 23 -11.167 -1.733 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN P 23 -8.609 -1.737 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN P 23 -8.736 -1.426 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN P 23 -8.500 -5.152 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN P 23 -7.477 -3.750 -7.520 1.00 0.00 H new ATOM 421 N HIS P 24 -12.727 -1.399 -6.560 1.00 0.00 N ATOM 422 CA HIS P 24 -13.651 -1.352 -5.417 1.00 0.00 C ATOM 423 C HIS P 24 -13.550 -2.596 -4.513 1.00 0.00 C ATOM 424 O HIS P 24 -14.082 -2.587 -3.402 1.00 0.00 O ATOM 425 CB HIS P 24 -15.085 -1.136 -5.933 1.00 0.00 C ATOM 426 CG HIS P 24 -15.368 0.266 -6.435 1.00 0.00 C ATOM 427 ND1 HIS P 24 -16.336 1.127 -5.906 1.00 0.00 N ATOM 428 CD2 HIS P 24 -14.750 0.897 -7.479 1.00 0.00 C ATOM 429 CE1 HIS P 24 -16.267 2.256 -6.633 1.00 0.00 C ATOM 430 NE2 HIS P 24 -15.325 2.143 -7.585 1.00 0.00 N ATOM 0 H HIS P 24 -13.168 -1.690 -7.433 1.00 0.00 H new ATOM 0 HA HIS P 24 -13.365 -0.512 -4.785 1.00 0.00 H new ATOM 0 HB2 HIS P 24 -15.278 -1.843 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS P 24 -15.785 -1.369 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS P 24 -13.963 0.495 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS P 24 -16.881 3.130 -6.474 1.00 0.00 H new ATOM 0 HE2 HIS P 24 -15.078 2.858 -8.269 1.00 0.00 H new ATOM 438 N TYR P 25 -12.880 -3.662 -4.970 1.00 0.00 N ATOM 439 CA TYR P 25 -12.785 -4.958 -4.283 1.00 0.00 C ATOM 440 C TYR P 25 -11.448 -5.697 -4.562 1.00 0.00 C ATOM 441 O TYR P 25 -11.448 -6.782 -5.154 1.00 0.00 O ATOM 442 CB TYR P 25 -14.047 -5.799 -4.593 1.00 0.00 C ATOM 443 CG TYR P 25 -14.510 -5.834 -6.046 1.00 0.00 C ATOM 444 CD1 TYR P 25 -15.436 -4.875 -6.506 1.00 0.00 C ATOM 445 CD2 TYR P 25 -14.046 -6.829 -6.930 1.00 0.00 C ATOM 446 CE1 TYR P 25 -15.869 -4.889 -7.846 1.00 0.00 C ATOM 447 CE2 TYR P 25 -14.478 -6.849 -8.271 1.00 0.00 C ATOM 448 CZ TYR P 25 -15.389 -5.873 -8.735 1.00 0.00 C ATOM 449 OH TYR P 25 -15.813 -5.882 -10.029 1.00 0.00 O ATOM 0 H TYR P 25 -12.373 -3.646 -5.855 1.00 0.00 H new ATOM 0 HA TYR P 25 -12.761 -4.783 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR P 25 -13.860 -6.824 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR P 25 -14.867 -5.418 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR P 25 -15.815 -4.126 -5.827 1.00 0.00 H new ATOM 0 HD2 TYR P 25 -13.355 -7.581 -6.577 1.00 0.00 H new ATOM 0 HE1 TYR P 25 -16.570 -4.145 -8.194 1.00 0.00 H new ATOM 0 HE2 TYR P 25 -14.113 -7.610 -8.944 1.00 0.00 H new ATOM 0 HH TYR P 25 -15.387 -6.623 -10.508 1.00 0.00 H new ATOM 459 N PRO P 26 -10.290 -5.148 -4.133 1.00 0.00 N ATOM 460 CA PRO P 26 -9.002 -5.841 -4.229 1.00 0.00 C ATOM 461 C PRO P 26 -8.937 -7.079 -3.309 1.00 0.00 C ATOM 462 O PRO P 26 -9.784 -7.290 -2.434 1.00 0.00 O ATOM 463 CB PRO P 26 -7.946 -4.779 -3.893 1.00 0.00 C ATOM 464 CG PRO P 26 -8.678 -3.812 -2.974 1.00 0.00 C ATOM 465 CD PRO P 26 -10.120 -3.854 -3.485 1.00 0.00 C ATOM 0 HA PRO P 26 -8.834 -6.251 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO P 26 -7.079 -5.220 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO P 26 -7.583 -4.279 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO P 26 -8.613 -4.122 -1.931 1.00 0.00 H new ATOM 0 HG3 PRO P 26 -8.260 -2.807 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO P 26 -10.827 -3.735 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO P 26 -10.307 -3.041 -4.186 1.00 0.00 H new ATOM 473 N ASP P 27 -7.904 -7.902 -3.483 1.00 0.00 N ATOM 474 CA ASP P 27 -7.631 -9.116 -2.690 1.00 0.00 C ATOM 475 C ASP P 27 -6.130 -9.255 -2.410 1.00 0.00 C ATOM 476 O ASP P 27 -5.376 -8.355 -2.756 1.00 0.00 O ATOM 477 CB ASP P 27 -8.173 -10.361 -3.416 1.00 0.00 C ATOM 478 CG ASP P 27 -8.706 -11.421 -2.432 1.00 0.00 C ATOM 479 OD1 ASP P 27 -8.226 -11.468 -1.270 1.00 0.00 O ATOM 480 OD2 ASP P 27 -9.600 -12.208 -2.819 1.00 0.00 O ATOM 0 H ASP P 27 -7.203 -7.742 -4.206 1.00 0.00 H new ATOM 0 HA ASP P 27 -8.143 -9.027 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP P 27 -8.972 -10.064 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP P 27 -7.382 -10.798 -4.025 1.00 0.00 H new ATOM 485 N MET P 28 -5.657 -10.357 -1.821 1.00 0.00 N ATOM 486 CA MET P 28 -4.252 -10.520 -1.403 1.00 0.00 C ATOM 487 C MET P 28 -3.205 -10.154 -2.473 1.00 0.00 C ATOM 488 O MET P 28 -2.121 -9.689 -2.128 1.00 0.00 O ATOM 489 CB MET P 28 -4.010 -11.952 -0.900 1.00 0.00 C ATOM 490 CG MET P 28 -4.163 -13.023 -1.992 1.00 0.00 C ATOM 491 SD MET P 28 -3.533 -14.663 -1.546 1.00 0.00 S ATOM 492 CE MET P 28 -1.757 -14.348 -1.761 1.00 0.00 C ATOM 0 H MET P 28 -6.238 -11.170 -1.617 1.00 0.00 H new ATOM 0 HA MET P 28 -4.109 -9.798 -0.599 1.00 0.00 H new ATOM 0 HB2 MET P 28 -3.007 -12.015 -0.479 1.00 0.00 H new ATOM 0 HB3 MET P 28 -4.709 -12.167 -0.092 1.00 0.00 H new ATOM 0 HG2 MET P 28 -5.219 -13.113 -2.247 1.00 0.00 H new ATOM 0 HG3 MET P 28 -3.646 -12.683 -2.889 1.00 0.00 H new ATOM 0 HE1 MET P 28 -1.364 -14.998 -2.543 1.00 0.00 H new ATOM 0 HE2 MET P 28 -1.604 -13.307 -2.044 1.00 0.00 H new ATOM 0 HE3 MET P 28 -1.236 -14.550 -0.825 1.00 0.00 H new ATOM 502 N SER P 29 -3.522 -10.309 -3.763 1.00 0.00 N ATOM 503 CA SER P 29 -2.597 -9.972 -4.857 1.00 0.00 C ATOM 504 C SER P 29 -2.593 -8.476 -5.195 1.00 0.00 C ATOM 505 O SER P 29 -1.544 -7.919 -5.521 1.00 0.00 O ATOM 506 CB SER P 29 -2.926 -10.789 -6.112 1.00 0.00 C ATOM 507 OG SER P 29 -2.893 -12.181 -5.826 1.00 0.00 O ATOM 0 H SER P 29 -4.422 -10.670 -4.080 1.00 0.00 H new ATOM 0 HA SER P 29 -1.597 -10.226 -4.505 1.00 0.00 H new ATOM 0 HB2 SER P 29 -3.912 -10.512 -6.484 1.00 0.00 H new ATOM 0 HB3 SER P 29 -2.211 -10.557 -6.901 1.00 0.00 H new ATOM 0 HG SER P 29 -3.107 -12.687 -6.638 1.00 0.00 H new ATOM 513 N THR P 30 -3.745 -7.803 -5.089 1.00 0.00 N ATOM 514 CA THR P 30 -3.907 -6.365 -5.377 1.00 0.00 C ATOM 515 C THR P 30 -3.705 -5.481 -4.144 1.00 0.00 C ATOM 516 O THR P 30 -3.113 -4.411 -4.248 1.00 0.00 O ATOM 517 CB THR P 30 -5.266 -6.072 -6.040 1.00 0.00 C ATOM 518 OG1 THR P 30 -6.253 -7.009 -5.671 1.00 0.00 O ATOM 519 CG2 THR P 30 -5.163 -6.132 -7.563 1.00 0.00 C ATOM 0 H THR P 30 -4.613 -8.250 -4.794 1.00 0.00 H new ATOM 0 HA THR P 30 -3.116 -6.110 -6.082 1.00 0.00 H new ATOM 0 HB THR P 30 -5.545 -5.075 -5.700 1.00 0.00 H new ATOM 0 HG1 THR P 30 -6.981 -6.992 -6.327 1.00 0.00 H new ATOM 0 HG21 THR P 30 -6.138 -5.921 -8.002 1.00 0.00 H new ATOM 0 HG22 THR P 30 -4.441 -5.392 -7.908 1.00 0.00 H new ATOM 0 HG23 THR P 30 -4.836 -7.126 -7.867 1.00 0.00 H new ATOM 527 N ARG P 31 -4.102 -5.935 -2.954 1.00 0.00 N ATOM 528 CA ARG P 31 -3.842 -5.291 -1.656 1.00 0.00 C ATOM 529 C ARG P 31 -2.349 -5.204 -1.353 1.00 0.00 C ATOM 530 O ARG P 31 -1.876 -4.150 -0.946 1.00 0.00 O ATOM 531 CB ARG P 31 -4.571 -6.060 -0.543 1.00 0.00 C ATOM 532 CG ARG P 31 -6.094 -5.911 -0.661 1.00 0.00 C ATOM 533 CD ARG P 31 -6.850 -6.624 0.466 1.00 0.00 C ATOM 534 NE ARG P 31 -8.306 -6.623 0.206 1.00 0.00 N ATOM 535 CZ ARG P 31 -9.143 -5.605 0.273 1.00 0.00 C ATOM 536 NH1 ARG P 31 -8.775 -4.437 0.707 1.00 0.00 N ATOM 537 NH2 ARG P 31 -10.369 -5.738 -0.132 1.00 0.00 N ATOM 0 H ARG P 31 -4.637 -6.798 -2.860 1.00 0.00 H new ATOM 0 HA ARG P 31 -4.221 -4.270 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -4.303 -7.115 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -4.243 -5.693 0.429 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -6.353 -4.852 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -6.420 -6.311 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -6.493 -7.650 0.557 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -6.646 -6.130 1.416 1.00 0.00 H new ATOM 0 HE ARG P 31 -8.714 -7.520 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -7.813 -4.285 1.009 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -9.448 -3.672 0.745 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -10.689 -6.632 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -11.012 -4.948 -0.078 1.00 0.00 H new ATOM 551 N GLU P 32 -1.585 -6.266 -1.613 1.00 0.00 N ATOM 552 CA GLU P 32 -0.122 -6.203 -1.535 1.00 0.00 C ATOM 553 C GLU P 32 0.442 -5.223 -2.571 1.00 0.00 C ATOM 554 O GLU P 32 1.286 -4.399 -2.232 1.00 0.00 O ATOM 555 CB GLU P 32 0.508 -7.591 -1.730 1.00 0.00 C ATOM 556 CG GLU P 32 0.329 -8.475 -0.489 1.00 0.00 C ATOM 557 CD GLU P 32 0.965 -9.878 -0.628 1.00 0.00 C ATOM 558 OE1 GLU P 32 1.859 -10.090 -1.485 1.00 0.00 O ATOM 559 OE2 GLU P 32 0.606 -10.783 0.166 1.00 0.00 O ATOM 0 H GLU P 32 -1.953 -7.179 -1.879 1.00 0.00 H new ATOM 0 HA GLU P 32 0.134 -5.845 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU P 32 0.054 -8.079 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU P 32 1.570 -7.481 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU P 32 0.768 -7.971 0.372 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -0.736 -8.587 -0.284 1.00 0.00 H new ATOM 566 N GLU P 33 -0.069 -5.241 -3.806 1.00 0.00 N ATOM 567 CA GLU P 33 0.397 -4.345 -4.879 1.00 0.00 C ATOM 568 C GLU P 33 0.294 -2.847 -4.530 1.00 0.00 C ATOM 569 O GLU P 33 1.162 -2.087 -4.958 1.00 0.00 O ATOM 570 CB GLU P 33 -0.335 -4.674 -6.193 1.00 0.00 C ATOM 571 CG GLU P 33 0.095 -3.786 -7.367 1.00 0.00 C ATOM 572 CD GLU P 33 -0.440 -4.331 -8.705 1.00 0.00 C ATOM 573 OE1 GLU P 33 -1.604 -4.032 -9.068 1.00 0.00 O ATOM 574 OE2 GLU P 33 0.305 -5.054 -9.412 1.00 0.00 O ATOM 0 H GLU P 33 -0.815 -5.874 -4.094 1.00 0.00 H new ATOM 0 HA GLU P 33 1.464 -4.531 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -0.153 -5.717 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -1.409 -4.566 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -0.272 -2.771 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU P 33 1.183 -3.729 -7.404 1.00 0.00 H new ATOM 581 N ILE P 34 -0.687 -2.409 -3.728 1.00 0.00 N ATOM 582 CA ILE P 34 -0.752 -1.019 -3.221 1.00 0.00 C ATOM 583 C ILE P 34 0.066 -0.830 -1.932 1.00 0.00 C ATOM 584 O ILE P 34 0.644 0.235 -1.715 1.00 0.00 O ATOM 585 CB ILE P 34 -2.207 -0.485 -3.112 1.00 0.00 C ATOM 586 CG1 ILE P 34 -2.938 -0.798 -1.789 1.00 0.00 C ATOM 587 CG2 ILE P 34 -3.071 -0.973 -4.289 1.00 0.00 C ATOM 588 CD1 ILE P 34 -2.751 0.295 -0.727 1.00 0.00 C ATOM 0 H ILE P 34 -1.456 -2.999 -3.411 1.00 0.00 H new ATOM 0 HA ILE P 34 -0.273 -0.392 -3.973 1.00 0.00 H new ATOM 0 HB ILE P 34 -2.084 0.598 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE P 34 -4.002 -0.924 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -2.573 -1.746 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -4.083 -0.582 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -2.641 -0.620 -5.227 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -3.101 -2.063 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE P 34 -3.288 0.017 0.180 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -1.690 0.405 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE P 34 -3.141 1.240 -1.105 1.00 0.00 H new ATOM 600 N ALA P 35 0.157 -1.856 -1.078 1.00 0.00 N ATOM 601 CA ALA P 35 0.836 -1.797 0.221 1.00 0.00 C ATOM 602 C ALA P 35 2.371 -1.707 0.091 1.00 0.00 C ATOM 603 O ALA P 35 3.053 -1.116 0.933 1.00 0.00 O ATOM 604 CB ALA P 35 0.414 -3.031 1.027 1.00 0.00 C ATOM 0 H ALA P 35 -0.249 -2.771 -1.276 1.00 0.00 H new ATOM 0 HA ALA P 35 0.538 -0.884 0.736 1.00 0.00 H new ATOM 0 HB1 ALA P 35 0.904 -3.015 2.000 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -0.667 -3.023 1.165 1.00 0.00 H new ATOM 0 HB3 ALA P 35 0.705 -3.934 0.489 1.00 0.00 H new ATOM 610 N VAL P 36 2.899 -2.271 -0.999 1.00 0.00 N ATOM 611 CA VAL P 36 4.324 -2.452 -1.323 1.00 0.00 C ATOM 612 C VAL P 36 5.118 -1.145 -1.392 1.00 0.00 C ATOM 613 O VAL P 36 6.290 -1.124 -1.009 1.00 0.00 O ATOM 614 CB VAL P 36 4.394 -3.262 -2.644 1.00 0.00 C ATOM 615 CG1 VAL P 36 5.575 -2.964 -3.572 1.00 0.00 C ATOM 616 CG2 VAL P 36 4.406 -4.762 -2.327 1.00 0.00 C ATOM 0 H VAL P 36 2.299 -2.642 -1.736 1.00 0.00 H new ATOM 0 HA VAL P 36 4.808 -2.997 -0.512 1.00 0.00 H new ATOM 0 HB VAL P 36 3.506 -2.946 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL P 36 5.509 -3.594 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL P 36 5.549 -1.916 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL P 36 6.509 -3.170 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL P 36 4.455 -5.330 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL P 36 5.275 -4.997 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL P 36 3.497 -5.027 -1.787 1.00 0.00 H new ATOM 626 N TRP P 37 4.493 -0.051 -1.833 1.00 0.00 N ATOM 627 CA TRP P 37 5.120 1.273 -1.981 1.00 0.00 C ATOM 628 C TRP P 37 4.529 2.335 -1.040 1.00 0.00 C ATOM 629 O TRP P 37 4.888 3.512 -1.121 1.00 0.00 O ATOM 630 CB TRP P 37 5.093 1.696 -3.456 1.00 0.00 C ATOM 631 CG TRP P 37 3.778 1.525 -4.144 1.00 0.00 C ATOM 632 CD1 TRP P 37 3.336 0.374 -4.691 1.00 0.00 C ATOM 633 CD2 TRP P 37 2.703 2.492 -4.327 1.00 0.00 C ATOM 634 NE1 TRP P 37 2.052 0.544 -5.150 1.00 0.00 N ATOM 635 CE2 TRP P 37 1.601 1.830 -4.948 1.00 0.00 C ATOM 636 CE3 TRP P 37 2.549 3.859 -4.017 1.00 0.00 C ATOM 637 CZ2 TRP P 37 0.390 2.484 -5.221 1.00 0.00 C ATOM 638 CZ3 TRP P 37 1.346 4.532 -4.306 1.00 0.00 C ATOM 639 CH2 TRP P 37 0.265 3.848 -4.895 1.00 0.00 C ATOM 0 H TRP P 37 3.510 -0.057 -2.106 1.00 0.00 H new ATOM 0 HA TRP P 37 6.161 1.188 -1.669 1.00 0.00 H new ATOM 0 HB2 TRP P 37 5.386 2.744 -3.522 1.00 0.00 H new ATOM 0 HB3 TRP P 37 5.845 1.120 -3.996 1.00 0.00 H new ATOM 0 HD1 TRP P 37 3.905 -0.542 -4.758 1.00 0.00 H new ATOM 0 HE1 TRP P 37 1.499 -0.193 -5.588 1.00 0.00 H new ATOM 0 HE3 TRP P 37 3.363 4.396 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -0.432 1.950 -5.674 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 1.252 5.582 -4.074 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -0.659 4.369 -5.096 1.00 0.00 H new ATOM 650 N THR P 38 3.651 1.922 -0.121 1.00 0.00 N ATOM 651 CA THR P 38 2.986 2.798 0.863 1.00 0.00 C ATOM 652 C THR P 38 3.368 2.479 2.311 1.00 0.00 C ATOM 653 O THR P 38 2.830 3.090 3.229 1.00 0.00 O ATOM 654 CB THR P 38 1.461 2.801 0.674 1.00 0.00 C ATOM 655 OG1 THR P 38 0.947 1.498 0.782 1.00 0.00 O ATOM 656 CG2 THR P 38 1.072 3.327 -0.708 1.00 0.00 C ATOM 0 H THR P 38 3.372 0.945 -0.034 1.00 0.00 H new ATOM 0 HA THR P 38 3.354 3.805 0.667 1.00 0.00 H new ATOM 0 HB THR P 38 1.051 3.447 1.450 1.00 0.00 H new ATOM 0 HG1 THR P 38 0.860 1.105 -0.112 1.00 0.00 H new ATOM 0 HG21 THR P 38 -0.013 3.316 -0.809 1.00 0.00 H new ATOM 0 HG22 THR P 38 1.437 4.347 -0.825 1.00 0.00 H new ATOM 0 HG23 THR P 38 1.515 2.693 -1.476 1.00 0.00 H new ATOM 664 N ASN P 39 4.324 1.567 2.535 1.00 0.00 N ATOM 665 CA ASN P 39 4.762 1.092 3.858 1.00 0.00 C ATOM 666 C ASN P 39 3.626 0.466 4.705 1.00 0.00 C ATOM 667 O ASN P 39 3.512 0.705 5.911 1.00 0.00 O ATOM 668 CB ASN P 39 5.554 2.204 4.578 1.00 0.00 C ATOM 669 CG ASN P 39 6.417 1.699 5.728 1.00 0.00 C ATOM 670 OD1 ASN P 39 6.714 0.519 5.870 1.00 0.00 O ATOM 671 ND2 ASN P 39 6.887 2.589 6.574 1.00 0.00 N ATOM 0 H ASN P 39 4.834 1.122 1.772 1.00 0.00 H new ATOM 0 HA ASN P 39 5.442 0.253 3.707 1.00 0.00 H new ATOM 0 HB2 ASN P 39 6.191 2.711 3.853 1.00 0.00 H new ATOM 0 HB3 ASN P 39 4.854 2.946 4.961 1.00 0.00 H new ATOM 0 HD21 ASN P 39 7.493 2.294 7.340 1.00 0.00 H new ATOM 0 HD22 ASN P 39 6.646 3.574 6.464 1.00 0.00 H new ATOM 678 N LEU P 40 2.766 -0.320 4.052 1.00 0.00 N ATOM 679 CA LEU P 40 1.662 -1.083 4.652 1.00 0.00 C ATOM 680 C LEU P 40 1.844 -2.603 4.445 1.00 0.00 C ATOM 681 O LEU P 40 2.826 -3.062 3.855 1.00 0.00 O ATOM 682 CB LEU P 40 0.334 -0.577 4.041 1.00 0.00 C ATOM 683 CG LEU P 40 -0.034 0.886 4.342 1.00 0.00 C ATOM 684 CD1 LEU P 40 -1.338 1.238 3.628 1.00 0.00 C ATOM 685 CD2 LEU P 40 -0.244 1.119 5.837 1.00 0.00 C ATOM 0 H LEU P 40 2.821 -0.450 3.042 1.00 0.00 H new ATOM 0 HA LEU P 40 1.650 -0.924 5.730 1.00 0.00 H new ATOM 0 HB2 LEU P 40 0.384 -0.703 2.959 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -0.474 -1.215 4.399 1.00 0.00 H new ATOM 0 HG LEU P 40 0.791 1.509 3.996 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -1.601 2.274 3.840 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.211 1.108 2.553 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -2.134 0.583 3.981 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -0.502 2.164 6.010 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.053 0.481 6.195 1.00 0.00 H new ATOM 0 HD23 LEU P 40 0.673 0.878 6.375 1.00 0.00 H new ATOM 697 N THR P 41 0.871 -3.388 4.916 1.00 0.00 N ATOM 698 CA THR P 41 0.707 -4.824 4.617 1.00 0.00 C ATOM 699 C THR P 41 -0.739 -5.092 4.189 1.00 0.00 C ATOM 700 O THR P 41 -1.615 -4.256 4.425 1.00 0.00 O ATOM 701 CB THR P 41 1.154 -5.703 5.797 1.00 0.00 C ATOM 702 OG1 THR P 41 1.123 -7.061 5.416 1.00 0.00 O ATOM 703 CG2 THR P 41 0.286 -5.546 7.046 1.00 0.00 C ATOM 0 H THR P 41 0.146 -3.033 5.540 1.00 0.00 H new ATOM 0 HA THR P 41 1.359 -5.096 3.787 1.00 0.00 H new ATOM 0 HB THR P 41 2.162 -5.373 6.049 1.00 0.00 H new ATOM 0 HG1 THR P 41 1.410 -7.619 6.169 1.00 0.00 H new ATOM 0 HG21 THR P 41 0.663 -6.197 7.835 1.00 0.00 H new ATOM 0 HG22 THR P 41 0.318 -4.510 7.384 1.00 0.00 H new ATOM 0 HG23 THR P 41 -0.743 -5.819 6.811 1.00 0.00 H new ATOM 711 N GLU P 42 -1.030 -6.233 3.560 1.00 0.00 N ATOM 712 CA GLU P 42 -2.343 -6.496 2.941 1.00 0.00 C ATOM 713 C GLU P 42 -3.510 -6.402 3.935 1.00 0.00 C ATOM 714 O GLU P 42 -4.591 -5.933 3.581 1.00 0.00 O ATOM 715 CB GLU P 42 -2.310 -7.832 2.177 1.00 0.00 C ATOM 716 CG GLU P 42 -2.804 -9.091 2.911 1.00 0.00 C ATOM 717 CD GLU P 42 -4.337 -9.263 2.849 1.00 0.00 C ATOM 718 OE1 GLU P 42 -4.891 -9.368 1.732 1.00 0.00 O ATOM 719 OE2 GLU P 42 -5.011 -9.331 3.901 1.00 0.00 O ATOM 0 H GLU P 42 -0.368 -7.003 3.462 1.00 0.00 H new ATOM 0 HA GLU P 42 -2.535 -5.702 2.220 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -2.907 -7.715 1.273 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -1.283 -8.011 1.859 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -2.327 -9.969 2.475 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.491 -9.043 3.954 1.00 0.00 H new ATOM 726 N ALA P 43 -3.258 -6.765 5.195 1.00 0.00 N ATOM 727 CA ALA P 43 -4.227 -6.697 6.287 1.00 0.00 C ATOM 728 C ALA P 43 -4.637 -5.251 6.616 1.00 0.00 C ATOM 729 O ALA P 43 -5.817 -4.993 6.841 1.00 0.00 O ATOM 730 CB ALA P 43 -3.635 -7.415 7.506 1.00 0.00 C ATOM 0 H ALA P 43 -2.350 -7.124 5.490 1.00 0.00 H new ATOM 0 HA ALA P 43 -5.146 -7.196 5.980 1.00 0.00 H new ATOM 0 HB1 ALA P 43 -4.345 -7.375 8.332 1.00 0.00 H new ATOM 0 HB2 ALA P 43 -3.432 -8.455 7.252 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -2.707 -6.926 7.801 1.00 0.00 H new ATOM 736 N ARG P 44 -3.706 -4.284 6.567 1.00 0.00 N ATOM 737 CA ARG P 44 -4.011 -2.845 6.702 1.00 0.00 C ATOM 738 C ARG P 44 -4.945 -2.380 5.591 1.00 0.00 C ATOM 739 O ARG P 44 -5.935 -1.708 5.866 1.00 0.00 O ATOM 740 CB ARG P 44 -2.728 -1.996 6.661 1.00 0.00 C ATOM 741 CG ARG P 44 -1.774 -2.188 7.849 1.00 0.00 C ATOM 742 CD ARG P 44 -2.386 -1.634 9.139 1.00 0.00 C ATOM 743 NE ARG P 44 -1.390 -1.543 10.223 1.00 0.00 N ATOM 744 CZ ARG P 44 -1.603 -1.054 11.432 1.00 0.00 C ATOM 745 NH1 ARG P 44 -2.786 -0.703 11.845 1.00 0.00 N ATOM 746 NH2 ARG P 44 -0.623 -0.889 12.271 1.00 0.00 N ATOM 0 H ARG P 44 -2.714 -4.477 6.432 1.00 0.00 H new ATOM 0 HA ARG P 44 -4.498 -2.711 7.668 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -2.189 -2.227 5.742 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -3.010 -0.944 6.609 1.00 0.00 H new ATOM 0 HG2 ARG P 44 -1.551 -3.248 7.974 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.828 -1.685 7.646 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -2.806 -0.646 8.947 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -3.209 -2.274 9.455 1.00 0.00 H new ATOM 0 HE ARG P 44 -0.452 -1.889 10.021 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -3.592 -0.801 11.227 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -2.908 -0.330 12.786 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.328 -1.138 12.000 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -0.806 -0.510 13.200 1.00 0.00 H new ATOM 760 N VAL P 45 -4.670 -2.789 4.352 1.00 0.00 N ATOM 761 CA VAL P 45 -5.513 -2.459 3.189 1.00 0.00 C ATOM 762 C VAL P 45 -6.896 -3.106 3.326 1.00 0.00 C ATOM 763 O VAL P 45 -7.911 -2.459 3.085 1.00 0.00 O ATOM 764 CB VAL P 45 -4.829 -2.872 1.868 1.00 0.00 C ATOM 765 CG1 VAL P 45 -5.543 -2.273 0.651 1.00 0.00 C ATOM 766 CG2 VAL P 45 -3.365 -2.421 1.812 1.00 0.00 C ATOM 0 H VAL P 45 -3.857 -3.359 4.120 1.00 0.00 H new ATOM 0 HA VAL P 45 -5.647 -1.378 3.162 1.00 0.00 H new ATOM 0 HB VAL P 45 -4.882 -3.960 1.839 1.00 0.00 H new ATOM 0 HG11 VAL P 45 -5.033 -2.586 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL P 45 -6.575 -2.622 0.627 1.00 0.00 H new ATOM 0 HG13 VAL P 45 -5.529 -1.185 0.720 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -2.924 -2.733 0.865 1.00 0.00 H new ATOM 0 HG22 VAL P 45 -3.315 -1.335 1.895 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -2.813 -2.873 2.636 1.00 0.00 H new ATOM 776 N ARG P 46 -6.965 -4.367 3.771 1.00 0.00 N ATOM 777 CA ARG P 46 -8.220 -5.102 4.016 1.00 0.00 C ATOM 778 C ARG P 46 -9.071 -4.447 5.106 1.00 0.00 C ATOM 779 O ARG P 46 -10.260 -4.222 4.894 1.00 0.00 O ATOM 780 CB ARG P 46 -7.875 -6.574 4.303 1.00 0.00 C ATOM 781 CG ARG P 46 -9.089 -7.504 4.159 1.00 0.00 C ATOM 782 CD ARG P 46 -8.686 -8.983 4.286 1.00 0.00 C ATOM 783 NE ARG P 46 -7.842 -9.438 3.160 1.00 0.00 N ATOM 784 CZ ARG P 46 -8.233 -10.020 2.039 1.00 0.00 C ATOM 785 NH1 ARG P 46 -9.478 -10.284 1.763 1.00 0.00 N ATOM 786 NH2 ARG P 46 -7.365 -10.348 1.137 1.00 0.00 N ATOM 0 H ARG P 46 -6.133 -4.920 3.976 1.00 0.00 H new ATOM 0 HA ARG P 46 -8.850 -5.065 3.127 1.00 0.00 H new ATOM 0 HB2 ARG P 46 -7.090 -6.899 3.620 1.00 0.00 H new ATOM 0 HB3 ARG P 46 -7.474 -6.659 5.313 1.00 0.00 H new ATOM 0 HG2 ARG P 46 -9.828 -7.260 4.923 1.00 0.00 H new ATOM 0 HG3 ARG P 46 -9.564 -7.337 3.192 1.00 0.00 H new ATOM 0 HD2 ARG P 46 -8.148 -9.131 5.222 1.00 0.00 H new ATOM 0 HD3 ARG P 46 -9.584 -9.598 4.334 1.00 0.00 H new ATOM 0 HE ARG P 46 -6.839 -9.285 3.260 1.00 0.00 H new ATOM 0 HH11 ARG P 46 -10.211 -10.040 2.429 1.00 0.00 H new ATOM 0 HH12 ARG P 46 -9.720 -10.735 0.881 1.00 0.00 H new ATOM 0 HH21 ARG P 46 -6.375 -10.158 1.289 1.00 0.00 H new ATOM 0 HH22 ARG P 46 -7.671 -10.797 0.274 1.00 0.00 H new ATOM 800 N VAL P 47 -8.458 -4.045 6.220 1.00 0.00 N ATOM 801 CA VAL P 47 -9.102 -3.282 7.307 1.00 0.00 C ATOM 802 C VAL P 47 -9.584 -1.914 6.824 1.00 0.00 C ATOM 803 O VAL P 47 -10.717 -1.527 7.124 1.00 0.00 O ATOM 804 CB VAL P 47 -8.134 -3.139 8.500 1.00 0.00 C ATOM 805 CG1 VAL P 47 -8.607 -2.134 9.559 1.00 0.00 C ATOM 806 CG2 VAL P 47 -7.973 -4.493 9.198 1.00 0.00 C ATOM 0 H VAL P 47 -7.474 -4.243 6.403 1.00 0.00 H new ATOM 0 HA VAL P 47 -9.982 -3.835 7.635 1.00 0.00 H new ATOM 0 HB VAL P 47 -7.196 -2.776 8.079 1.00 0.00 H new ATOM 0 HG11 VAL P 47 -7.877 -2.086 10.367 1.00 0.00 H new ATOM 0 HG12 VAL P 47 -8.711 -1.149 9.105 1.00 0.00 H new ATOM 0 HG13 VAL P 47 -9.570 -2.452 9.958 1.00 0.00 H new ATOM 0 HG21 VAL P 47 -7.289 -4.389 10.040 1.00 0.00 H new ATOM 0 HG22 VAL P 47 -8.943 -4.834 9.559 1.00 0.00 H new ATOM 0 HG23 VAL P 47 -7.572 -5.221 8.492 1.00 0.00 H new ATOM 816 N TRP P 48 -8.771 -1.189 6.053 1.00 0.00 N ATOM 817 CA TRP P 48 -9.125 0.144 5.566 1.00 0.00 C ATOM 818 C TRP P 48 -10.327 0.104 4.619 1.00 0.00 C ATOM 819 O TRP P 48 -11.295 0.831 4.834 1.00 0.00 O ATOM 820 CB TRP P 48 -7.920 0.798 4.888 1.00 0.00 C ATOM 821 CG TRP P 48 -8.133 2.245 4.577 1.00 0.00 C ATOM 822 CD1 TRP P 48 -7.752 3.275 5.363 1.00 0.00 C ATOM 823 CD2 TRP P 48 -8.807 2.849 3.428 1.00 0.00 C ATOM 824 NE1 TRP P 48 -8.117 4.468 4.774 1.00 0.00 N ATOM 825 CE2 TRP P 48 -8.765 4.266 3.576 1.00 0.00 C ATOM 826 CE3 TRP P 48 -9.445 2.347 2.273 1.00 0.00 C ATOM 827 CZ2 TRP P 48 -9.312 5.138 2.625 1.00 0.00 C ATOM 828 CZ3 TRP P 48 -10.032 3.207 1.329 1.00 0.00 C ATOM 829 CH2 TRP P 48 -9.978 4.598 1.512 1.00 0.00 C ATOM 0 H TRP P 48 -7.851 -1.509 5.750 1.00 0.00 H new ATOM 0 HA TRP P 48 -9.414 0.746 6.427 1.00 0.00 H new ATOM 0 HB2 TRP P 48 -7.048 0.696 5.534 1.00 0.00 H new ATOM 0 HB3 TRP P 48 -7.696 0.264 3.965 1.00 0.00 H new ATOM 0 HD1 TRP P 48 -7.240 3.179 6.309 1.00 0.00 H new ATOM 0 HE1 TRP P 48 -7.930 5.386 5.176 1.00 0.00 H new ATOM 0 HE3 TRP P 48 -9.483 1.280 2.111 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 -9.223 6.208 2.746 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 -10.526 2.797 0.461 1.00 0.00 H new ATOM 0 HH2 TRP P 48 -10.449 5.254 0.796 1.00 0.00 H new ATOM 840 N PHE P 49 -10.321 -0.792 3.625 1.00 0.00 N ATOM 841 CA PHE P 49 -11.441 -0.955 2.690 1.00 0.00 C ATOM 842 C PHE P 49 -12.707 -1.461 3.403 1.00 0.00 C ATOM 843 O PHE P 49 -13.814 -1.043 3.055 1.00 0.00 O ATOM 844 CB PHE P 49 -11.035 -1.908 1.554 1.00 0.00 C ATOM 845 CG PHE P 49 -10.269 -1.286 0.389 1.00 0.00 C ATOM 846 CD1 PHE P 49 -8.967 -0.765 0.550 1.00 0.00 C ATOM 847 CD2 PHE P 49 -10.856 -1.261 -0.893 1.00 0.00 C ATOM 848 CE1 PHE P 49 -8.265 -0.226 -0.546 1.00 0.00 C ATOM 849 CE2 PHE P 49 -10.150 -0.731 -1.986 1.00 0.00 C ATOM 850 CZ PHE P 49 -8.862 -0.207 -1.813 1.00 0.00 C ATOM 0 H PHE P 49 -9.541 -1.424 3.446 1.00 0.00 H new ATOM 0 HA PHE P 49 -11.679 0.022 2.269 1.00 0.00 H new ATOM 0 HB2 PHE P 49 -10.424 -2.705 1.978 1.00 0.00 H new ATOM 0 HB3 PHE P 49 -11.938 -2.374 1.160 1.00 0.00 H new ATOM 0 HD1 PHE P 49 -8.503 -0.780 1.525 1.00 0.00 H new ATOM 0 HD2 PHE P 49 -11.853 -1.651 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE P 49 -7.270 0.171 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE P 49 -10.603 -0.727 -2.966 1.00 0.00 H new ATOM 0 HZ PHE P 49 -8.330 0.211 -2.655 1.00 0.00 H new ATOM 860 N LYS P 50 -12.562 -2.298 4.443 1.00 0.00 N ATOM 861 CA LYS P 50 -13.688 -2.794 5.260 1.00 0.00 C ATOM 862 C LYS P 50 -14.344 -1.670 6.070 1.00 0.00 C ATOM 863 O LYS P 50 -15.570 -1.605 6.142 1.00 0.00 O ATOM 864 CB LYS P 50 -13.212 -3.963 6.142 1.00 0.00 C ATOM 865 CG LYS P 50 -14.368 -4.620 6.918 1.00 0.00 C ATOM 866 CD LYS P 50 -13.959 -5.933 7.607 1.00 0.00 C ATOM 867 CE LYS P 50 -12.918 -5.755 8.721 1.00 0.00 C ATOM 868 NZ LYS P 50 -13.493 -5.129 9.943 1.00 0.00 N ATOM 0 H LYS P 50 -11.655 -2.654 4.745 1.00 0.00 H new ATOM 0 HA LYS P 50 -14.467 -3.169 4.596 1.00 0.00 H new ATOM 0 HB2 LYS P 50 -12.726 -4.712 5.517 1.00 0.00 H new ATOM 0 HB3 LYS P 50 -12.464 -3.601 6.847 1.00 0.00 H new ATOM 0 HG2 LYS P 50 -14.737 -3.922 7.669 1.00 0.00 H new ATOM 0 HG3 LYS P 50 -15.193 -4.817 6.233 1.00 0.00 H new ATOM 0 HD2 LYS P 50 -14.848 -6.404 8.026 1.00 0.00 H new ATOM 0 HD3 LYS P 50 -13.560 -6.616 6.857 1.00 0.00 H new ATOM 0 HE2 LYS P 50 -12.496 -6.727 8.978 1.00 0.00 H new ATOM 0 HE3 LYS P 50 -12.098 -5.139 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 -12.751 -5.031 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 -13.872 -4.190 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 -14.258 -5.728 10.313 1.00 0.00 H new ATOM 882 N ASN P 51 -13.550 -0.740 6.605 1.00 0.00 N ATOM 883 CA ASN P 51 -14.072 0.491 7.208 1.00 0.00 C ATOM 884 C ASN P 51 -14.673 1.437 6.153 1.00 0.00 C ATOM 885 O ASN P 51 -15.778 1.947 6.344 1.00 0.00 O ATOM 886 CB ASN P 51 -12.969 1.177 8.035 1.00 0.00 C ATOM 887 CG ASN P 51 -12.775 0.530 9.394 1.00 0.00 C ATOM 888 OD1 ASN P 51 -13.367 0.928 10.387 1.00 0.00 O ATOM 889 ND2 ASN P 51 -11.955 -0.489 9.488 1.00 0.00 N ATOM 0 H ASN P 51 -12.533 -0.817 6.633 1.00 0.00 H new ATOM 0 HA ASN P 51 -14.889 0.226 7.879 1.00 0.00 H new ATOM 0 HB2 ASN P 51 -12.030 1.142 7.482 1.00 0.00 H new ATOM 0 HB3 ASN P 51 -13.221 2.229 8.169 1.00 0.00 H new ATOM 0 HD21 ASN P 51 -11.812 -0.948 10.388 1.00 0.00 H new ATOM 0 HD22 ASN P 51 -11.460 -0.823 8.661 1.00 0.00 H new ATOM 896 N ARG P 52 -14.002 1.642 5.012 1.00 0.00 N ATOM 897 CA ARG P 52 -14.439 2.581 3.964 1.00 0.00 C ATOM 898 C ARG P 52 -15.793 2.204 3.363 1.00 0.00 C ATOM 899 O ARG P 52 -16.639 3.081 3.202 1.00 0.00 O ATOM 900 CB ARG P 52 -13.357 2.674 2.869 1.00 0.00 C ATOM 901 CG ARG P 52 -13.548 3.860 1.905 1.00 0.00 C ATOM 902 CD ARG P 52 -13.340 5.227 2.576 1.00 0.00 C ATOM 903 NE ARG P 52 -13.486 6.329 1.601 1.00 0.00 N ATOM 904 CZ ARG P 52 -12.694 7.378 1.446 1.00 0.00 C ATOM 905 NH1 ARG P 52 -11.650 7.607 2.181 1.00 0.00 N ATOM 906 NH2 ARG P 52 -12.907 8.262 0.520 1.00 0.00 N ATOM 0 H ARG P 52 -13.133 1.158 4.786 1.00 0.00 H new ATOM 0 HA ARG P 52 -14.572 3.558 4.429 1.00 0.00 H new ATOM 0 HB2 ARG P 52 -12.379 2.758 3.344 1.00 0.00 H new ATOM 0 HB3 ARG P 52 -13.354 1.748 2.294 1.00 0.00 H new ATOM 0 HG2 ARG P 52 -12.849 3.760 1.074 1.00 0.00 H new ATOM 0 HG3 ARG P 52 -14.552 3.819 1.483 1.00 0.00 H new ATOM 0 HD2 ARG P 52 -14.063 5.353 3.382 1.00 0.00 H new ATOM 0 HD3 ARG P 52 -12.349 5.266 3.028 1.00 0.00 H new ATOM 0 HE ARG P 52 -14.290 6.274 0.976 1.00 0.00 H new ATOM 0 HH11 ARG P 52 -11.401 6.959 2.928 1.00 0.00 H new ATOM 0 HH12 ARG P 52 -11.079 8.435 2.011 1.00 0.00 H new ATOM 0 HH21 ARG P 52 -13.701 8.158 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG P 52 -12.280 9.061 0.424 1.00 0.00 H new ATOM 920 N ARG P 53 -16.043 0.915 3.101 1.00 0.00 N ATOM 921 CA ARG P 53 -17.337 0.440 2.568 1.00 0.00 C ATOM 922 C ARG P 53 -18.474 0.554 3.590 1.00 0.00 C ATOM 923 O ARG P 53 -19.607 0.851 3.218 1.00 0.00 O ATOM 924 CB ARG P 53 -17.190 -0.968 1.957 1.00 0.00 C ATOM 925 CG ARG P 53 -17.048 -2.096 2.991 1.00 0.00 C ATOM 926 CD ARG P 53 -16.661 -3.417 2.317 1.00 0.00 C ATOM 927 NE ARG P 53 -16.635 -4.527 3.291 1.00 0.00 N ATOM 928 CZ ARG P 53 -16.106 -5.725 3.109 1.00 0.00 C ATOM 929 NH1 ARG P 53 -15.489 -6.052 2.010 1.00 0.00 N ATOM 930 NH2 ARG P 53 -16.190 -6.630 4.042 1.00 0.00 N ATOM 0 H ARG P 53 -15.361 0.171 3.250 1.00 0.00 H new ATOM 0 HA ARG P 53 -17.632 1.105 1.757 1.00 0.00 H new ATOM 0 HB2 ARG P 53 -18.059 -1.172 1.331 1.00 0.00 H new ATOM 0 HB3 ARG P 53 -16.318 -0.978 1.304 1.00 0.00 H new ATOM 0 HG2 ARG P 53 -16.292 -1.825 3.728 1.00 0.00 H new ATOM 0 HG3 ARG P 53 -17.988 -2.220 3.529 1.00 0.00 H new ATOM 0 HD2 ARG P 53 -17.371 -3.644 1.522 1.00 0.00 H new ATOM 0 HD3 ARG P 53 -15.681 -3.317 1.850 1.00 0.00 H new ATOM 0 HE ARG P 53 -17.070 -4.351 4.197 1.00 0.00 H new ATOM 0 HH11 ARG P 53 -15.401 -5.374 1.253 1.00 0.00 H new ATOM 0 HH12 ARG P 53 -15.093 -6.986 1.906 1.00 0.00 H new ATOM 0 HH21 ARG P 53 -16.666 -6.416 4.919 1.00 0.00 H new ATOM 0 HH22 ARG P 53 -15.780 -7.553 3.896 1.00 0.00 H new ATOM 944 N ALA P 54 -18.169 0.413 4.882 1.00 0.00 N ATOM 945 CA ALA P 54 -19.134 0.646 5.959 1.00 0.00 C ATOM 946 C ALA P 54 -19.460 2.138 6.149 1.00 0.00 C ATOM 947 O ALA P 54 -20.587 2.468 6.521 1.00 0.00 O ATOM 948 CB ALA P 54 -18.587 0.025 7.250 1.00 0.00 C ATOM 0 H ALA P 54 -17.245 0.134 5.211 1.00 0.00 H new ATOM 0 HA ALA P 54 -20.077 0.170 5.689 1.00 0.00 H new ATOM 0 HB1 ALA P 54 -19.295 0.191 8.062 1.00 0.00 H new ATOM 0 HB2 ALA P 54 -18.444 -1.046 7.106 1.00 0.00 H new ATOM 0 HB3 ALA P 54 -17.633 0.488 7.501 1.00 0.00 H new ATOM 954 N LYS P 55 -18.505 3.037 5.868 1.00 0.00 N ATOM 955 CA LYS P 55 -18.684 4.500 5.919 1.00 0.00 C ATOM 956 C LYS P 55 -19.397 5.060 4.681 1.00 0.00 C ATOM 957 O LYS P 55 -20.254 5.933 4.813 1.00 0.00 O ATOM 958 CB LYS P 55 -17.322 5.179 6.131 1.00 0.00 C ATOM 959 CG LYS P 55 -16.806 4.940 7.559 1.00 0.00 C ATOM 960 CD LYS P 55 -15.395 5.490 7.791 1.00 0.00 C ATOM 961 CE LYS P 55 -15.349 7.024 7.714 1.00 0.00 C ATOM 962 NZ LYS P 55 -14.003 7.550 8.063 1.00 0.00 N ATOM 0 H LYS P 55 -17.562 2.762 5.592 1.00 0.00 H new ATOM 0 HA LYS P 55 -19.336 4.722 6.764 1.00 0.00 H new ATOM 0 HB2 LYS P 55 -16.602 4.791 5.410 1.00 0.00 H new ATOM 0 HB3 LYS P 55 -17.412 6.250 5.947 1.00 0.00 H new ATOM 0 HG2 LYS P 55 -17.491 5.404 8.268 1.00 0.00 H new ATOM 0 HG3 LYS P 55 -16.810 3.870 7.766 1.00 0.00 H new ATOM 0 HD2 LYS P 55 -15.037 5.166 8.768 1.00 0.00 H new ATOM 0 HD3 LYS P 55 -14.717 5.070 7.048 1.00 0.00 H new ATOM 0 HE2 LYS P 55 -15.616 7.346 6.708 1.00 0.00 H new ATOM 0 HE3 LYS P 55 -16.092 7.445 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 -14.009 8.588 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 -13.759 7.263 9.032 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 -13.298 7.167 7.401 1.00 0.00 H new ATOM 976 N TRP P 56 -19.097 4.528 3.492 1.00 0.00 N ATOM 977 CA TRP P 56 -19.682 4.933 2.201 1.00 0.00 C ATOM 978 C TRP P 56 -21.212 4.857 2.210 1.00 0.00 C ATOM 979 O TRP P 56 -21.891 5.799 1.796 1.00 0.00 O ATOM 980 CB TRP P 56 -19.092 4.038 1.091 1.00 0.00 C ATOM 981 CG TRP P 56 -19.960 3.779 -0.108 1.00 0.00 C ATOM 982 CD1 TRP P 56 -20.452 4.713 -0.953 1.00 0.00 C ATOM 983 CD2 TRP P 56 -20.491 2.500 -0.582 1.00 0.00 C ATOM 984 NE1 TRP P 56 -21.248 4.102 -1.907 1.00 0.00 N ATOM 985 CE2 TRP P 56 -21.299 2.739 -1.730 1.00 0.00 C ATOM 986 CE3 TRP P 56 -20.387 1.163 -0.146 1.00 0.00 C ATOM 987 CZ2 TRP P 56 -21.958 1.711 -2.420 1.00 0.00 C ATOM 988 CZ3 TRP P 56 -21.048 0.119 -0.823 1.00 0.00 C ATOM 989 CH2 TRP P 56 -21.828 0.389 -1.962 1.00 0.00 C ATOM 0 H TRP P 56 -18.415 3.775 3.394 1.00 0.00 H new ATOM 0 HA TRP P 56 -19.429 5.976 2.014 1.00 0.00 H new ATOM 0 HB2 TRP P 56 -18.164 4.494 0.746 1.00 0.00 H new ATOM 0 HB3 TRP P 56 -18.830 3.077 1.534 1.00 0.00 H new ATOM 0 HD1 TRP P 56 -20.254 5.773 -0.893 1.00 0.00 H new ATOM 0 HE1 TRP P 56 -21.737 4.601 -2.650 1.00 0.00 H new ATOM 0 HE3 TRP P 56 -19.789 0.935 0.724 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 -22.557 1.932 -3.291 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 -20.955 -0.896 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP P 56 -22.325 -0.416 -2.482 1.00 0.00 H new ATOM 1000 N ARG P 57 -21.762 3.762 2.741 1.00 0.00 N ATOM 1001 CA ARG P 57 -23.202 3.452 2.743 1.00 0.00 C ATOM 1002 C ARG P 57 -24.082 4.469 3.486 1.00 0.00 C ATOM 1003 O ARG P 57 -25.268 4.577 3.176 1.00 0.00 O ATOM 1004 CB ARG P 57 -23.372 2.047 3.341 1.00 0.00 C ATOM 1005 CG ARG P 57 -22.967 0.952 2.344 1.00 0.00 C ATOM 1006 CD ARG P 57 -22.961 -0.432 2.999 1.00 0.00 C ATOM 1007 NE ARG P 57 -24.322 -0.899 3.334 1.00 0.00 N ATOM 1008 CZ ARG P 57 -24.642 -2.012 3.972 1.00 0.00 C ATOM 1009 NH1 ARG P 57 -23.740 -2.854 4.393 1.00 0.00 N ATOM 1010 NH2 ARG P 57 -25.890 -2.304 4.202 1.00 0.00 N ATOM 0 H ARG P 57 -21.203 3.041 3.197 1.00 0.00 H new ATOM 0 HA ARG P 57 -23.550 3.502 1.711 1.00 0.00 H new ATOM 0 HB2 ARG P 57 -22.766 1.960 4.243 1.00 0.00 H new ATOM 0 HB3 ARG P 57 -24.410 1.902 3.639 1.00 0.00 H new ATOM 0 HG2 ARG P 57 -23.658 0.953 1.501 1.00 0.00 H new ATOM 0 HG3 ARG P 57 -21.977 1.171 1.945 1.00 0.00 H new ATOM 0 HD2 ARG P 57 -22.489 -1.148 2.326 1.00 0.00 H new ATOM 0 HD3 ARG P 57 -22.357 -0.400 3.906 1.00 0.00 H new ATOM 0 HE ARG P 57 -25.095 -0.301 3.043 1.00 0.00 H new ATOM 0 HH11 ARG P 57 -22.751 -2.664 4.234 1.00 0.00 H new ATOM 0 HH12 ARG P 57 -24.024 -3.703 4.882 1.00 0.00 H new ATOM 0 HH21 ARG P 57 -26.627 -1.672 3.889 1.00 0.00 H new ATOM 0 HH22 ARG P 57 -26.130 -3.164 4.695 1.00 0.00 H new ATOM 1024 N LYS P 58 -23.516 5.242 4.424 1.00 0.00 N ATOM 1025 CA LYS P 58 -24.213 6.339 5.135 1.00 0.00 C ATOM 1026 C LYS P 58 -24.417 7.586 4.261 1.00 0.00 C ATOM 1027 O LYS P 58 -25.332 8.368 4.523 1.00 0.00 O ATOM 1028 CB LYS P 58 -23.454 6.730 6.421 1.00 0.00 C ATOM 1029 CG LYS P 58 -23.670 5.797 7.624 1.00 0.00 C ATOM 1030 CD LYS P 58 -23.147 4.374 7.404 1.00 0.00 C ATOM 1031 CE LYS P 58 -23.115 3.594 8.722 1.00 0.00 C ATOM 1032 NZ LYS P 58 -22.647 2.203 8.502 1.00 0.00 N ATOM 0 H LYS P 58 -22.547 5.126 4.719 1.00 0.00 H new ATOM 0 HA LYS P 58 -25.200 5.953 5.392 1.00 0.00 H new ATOM 0 HB2 LYS P 58 -22.388 6.765 6.197 1.00 0.00 H new ATOM 0 HB3 LYS P 58 -23.753 7.738 6.707 1.00 0.00 H new ATOM 0 HG2 LYS P 58 -23.177 6.225 8.497 1.00 0.00 H new ATOM 0 HG3 LYS P 58 -24.735 5.752 7.850 1.00 0.00 H new ATOM 0 HD2 LYS P 58 -23.782 3.856 6.685 1.00 0.00 H new ATOM 0 HD3 LYS P 58 -22.146 4.412 6.975 1.00 0.00 H new ATOM 0 HE2 LYS P 58 -22.456 4.096 9.431 1.00 0.00 H new ATOM 0 HE3 LYS P 58 -24.110 3.581 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 -22.264 1.821 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 -23.444 1.614 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 -21.904 2.198 7.774 1.00 0.00 H new ATOM 1046 N ARG P 59 -23.568 7.783 3.242 1.00 0.00 N ATOM 1047 CA ARG P 59 -23.531 8.979 2.373 1.00 0.00 C ATOM 1048 C ARG P 59 -23.919 8.701 0.915 1.00 0.00 C ATOM 1049 O ARG P 59 -24.340 9.622 0.217 1.00 0.00 O ATOM 1050 CB ARG P 59 -22.131 9.618 2.458 1.00 0.00 C ATOM 1051 CG ARG P 59 -21.668 10.012 3.874 1.00 0.00 C ATOM 1052 CD ARG P 59 -22.603 11.022 4.554 1.00 0.00 C ATOM 1053 NE ARG P 59 -22.083 11.435 5.871 1.00 0.00 N ATOM 1054 CZ ARG P 59 -22.658 12.273 6.717 1.00 0.00 C ATOM 1055 NH1 ARG P 59 -23.801 12.844 6.459 1.00 0.00 N ATOM 1056 NH2 ARG P 59 -22.088 12.558 7.852 1.00 0.00 N ATOM 0 H ARG P 59 -22.862 7.093 2.987 1.00 0.00 H new ATOM 0 HA ARG P 59 -24.288 9.670 2.743 1.00 0.00 H new ATOM 0 HB2 ARG P 59 -21.406 8.921 2.038 1.00 0.00 H new ATOM 0 HB3 ARG P 59 -22.118 10.508 1.829 1.00 0.00 H new ATOM 0 HG2 ARG P 59 -21.601 9.116 4.491 1.00 0.00 H new ATOM 0 HG3 ARG P 59 -20.665 10.435 3.817 1.00 0.00 H new ATOM 0 HD2 ARG P 59 -22.720 11.898 3.916 1.00 0.00 H new ATOM 0 HD3 ARG P 59 -23.592 10.581 4.674 1.00 0.00 H new ATOM 0 HE ARG P 59 -21.190 11.034 6.158 1.00 0.00 H new ATOM 0 HH11 ARG P 59 -24.282 12.649 5.581 1.00 0.00 H new ATOM 0 HH12 ARG P 59 -24.215 13.485 7.136 1.00 0.00 H new ATOM 0 HH21 ARG P 59 -21.192 12.134 8.093 1.00 0.00 H new ATOM 0 HH22 ARG P 59 -22.537 13.205 8.500 1.00 0.00 H new ATOM 1070 N GLU P 60 -23.809 7.447 0.468 1.00 0.00 N ATOM 1071 CA GLU P 60 -24.121 6.981 -0.896 1.00 0.00 C ATOM 1072 C GLU P 60 -23.352 7.756 -1.990 1.00 0.00 C ATOM 1073 O GLU P 60 -23.887 8.095 -3.048 1.00 0.00 O ATOM 1074 CB GLU P 60 -25.645 6.899 -1.125 1.00 0.00 C ATOM 1075 CG GLU P 60 -26.348 5.989 -0.106 1.00 0.00 C ATOM 1076 CD GLU P 60 -27.849 5.861 -0.429 1.00 0.00 C ATOM 1077 OE1 GLU P 60 -28.652 6.711 0.029 1.00 0.00 O ATOM 1078 OE2 GLU P 60 -28.243 4.903 -1.141 1.00 0.00 O ATOM 0 H GLU P 60 -23.486 6.690 1.071 1.00 0.00 H new ATOM 0 HA GLU P 60 -23.749 5.960 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU P 60 -26.072 7.900 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU P 60 -25.838 6.528 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU P 60 -25.885 5.002 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU P 60 -26.221 6.394 0.898 1.00 0.00 H new ATOM 1085 N GLU P 61 -22.073 8.048 -1.724 1.00 0.00 N ATOM 1086 CA GLU P 61 -21.193 8.851 -2.602 1.00 0.00 C ATOM 1087 C GLU P 61 -20.917 8.197 -3.971 1.00 0.00 C ATOM 1088 O GLU P 61 -20.653 8.890 -4.957 1.00 0.00 O ATOM 1089 CB GLU P 61 -19.857 9.094 -1.880 1.00 0.00 C ATOM 1090 CG GLU P 61 -19.957 10.106 -0.732 1.00 0.00 C ATOM 1091 CD GLU P 61 -20.082 11.554 -1.246 1.00 0.00 C ATOM 1092 OE1 GLU P 61 -19.039 12.201 -1.510 1.00 0.00 O ATOM 1093 OE2 GLU P 61 -21.221 12.061 -1.388 1.00 0.00 O ATOM 0 H GLU P 61 -21.605 7.729 -0.876 1.00 0.00 H new ATOM 0 HA GLU P 61 -21.716 9.785 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU P 61 -19.488 8.147 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU P 61 -19.122 9.448 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU P 61 -20.821 9.866 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU P 61 -19.075 10.022 -0.097 1.00 0.00 H new ATOM 1100 N PHE P 62 -21.006 6.867 -4.031 1.00 0.00 N ATOM 1101 CA PHE P 62 -20.961 6.043 -5.240 1.00 0.00 C ATOM 1102 C PHE P 62 -22.216 5.158 -5.329 1.00 0.00 C ATOM 1103 O PHE P 62 -22.715 4.692 -4.302 1.00 0.00 O ATOM 1104 CB PHE P 62 -19.672 5.210 -5.226 1.00 0.00 C ATOM 1105 CG PHE P 62 -19.512 4.303 -6.431 1.00 0.00 C ATOM 1106 CD1 PHE P 62 -19.065 4.831 -7.658 1.00 0.00 C ATOM 1107 CD2 PHE P 62 -19.828 2.934 -6.332 1.00 0.00 C ATOM 1108 CE1 PHE P 62 -18.933 3.993 -8.780 1.00 0.00 C ATOM 1109 CE2 PHE P 62 -19.693 2.097 -7.454 1.00 0.00 C ATOM 1110 CZ PHE P 62 -19.247 2.626 -8.678 1.00 0.00 C ATOM 0 H PHE P 62 -21.118 6.304 -3.188 1.00 0.00 H new ATOM 0 HA PHE P 62 -20.953 6.677 -6.127 1.00 0.00 H new ATOM 0 HB2 PHE P 62 -18.817 5.884 -5.175 1.00 0.00 H new ATOM 0 HB3 PHE P 62 -19.654 4.602 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE P 62 -18.823 5.881 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE P 62 -20.174 2.527 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE P 62 -18.590 4.400 -9.720 1.00 0.00 H new ATOM 0 HE2 PHE P 62 -19.932 1.047 -7.375 1.00 0.00 H new ATOM 0 HZ PHE P 62 -19.146 1.983 -9.540 1.00 0.00 H new ATOM 1120 N ILE P 63 -22.720 4.929 -6.547 1.00 0.00 N ATOM 1121 CA ILE P 63 -23.950 4.178 -6.834 1.00 0.00 C ATOM 1122 C ILE P 63 -23.690 3.146 -7.942 1.00 0.00 C ATOM 1123 O ILE P 63 -23.136 3.480 -8.992 1.00 0.00 O ATOM 1124 CB ILE P 63 -25.109 5.131 -7.231 1.00 0.00 C ATOM 1125 CG1 ILE P 63 -25.270 6.340 -6.276 1.00 0.00 C ATOM 1126 CG2 ILE P 63 -26.434 4.349 -7.263 1.00 0.00 C ATOM 1127 CD1 ILE P 63 -24.542 7.606 -6.752 1.00 0.00 C ATOM 0 H ILE P 63 -22.266 5.274 -7.393 1.00 0.00 H new ATOM 0 HA ILE P 63 -24.251 3.652 -5.928 1.00 0.00 H new ATOM 0 HB ILE P 63 -24.857 5.526 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE P 63 -26.331 6.563 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE P 63 -24.895 6.065 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE P 63 -27.246 5.020 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE P 63 -26.363 3.543 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE P 63 -26.633 3.929 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE P 63 -24.701 8.409 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE P 63 -23.475 7.401 -6.838 1.00 0.00 H new ATOM 0 HD13 ILE P 63 -24.933 7.907 -7.724 1.00 0.00 H new ATOM 1139 N VAL P 64 -24.127 1.899 -7.730 1.00 0.00 N ATOM 1140 CA VAL P 64 -24.091 0.824 -8.739 1.00 0.00 C ATOM 1141 C VAL P 64 -25.372 0.858 -9.578 1.00 0.00 C ATOM 1142 O VAL P 64 -26.478 0.848 -9.031 1.00 0.00 O ATOM 1143 CB VAL P 64 -23.893 -0.559 -8.086 1.00 0.00 C ATOM 1144 CG1 VAL P 64 -23.814 -1.679 -9.133 1.00 0.00 C ATOM 1145 CG2 VAL P 64 -22.596 -0.607 -7.265 1.00 0.00 C ATOM 0 H VAL P 64 -24.523 1.600 -6.839 1.00 0.00 H new ATOM 0 HA VAL P 64 -23.236 0.994 -9.393 1.00 0.00 H new ATOM 0 HB VAL P 64 -24.759 -0.712 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL P 64 -23.674 -2.637 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL P 64 -24.738 -1.703 -9.710 1.00 0.00 H new ATOM 0 HG13 VAL P 64 -22.973 -1.494 -9.801 1.00 0.00 H new ATOM 0 HG21 VAL P 64 -22.485 -1.595 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL P 64 -21.745 -0.406 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL P 64 -22.636 0.146 -6.478 1.00 0.00 H new ATOM 1155 N THR P 65 -25.226 0.887 -10.906 1.00 0.00 N ATOM 1156 CA THR P 65 -26.336 1.038 -11.874 1.00 0.00 C ATOM 1157 C THR P 65 -26.512 -0.159 -12.822 1.00 0.00 C ATOM 1158 O THR P 65 -27.446 -0.185 -13.628 1.00 0.00 O ATOM 1159 CB THR P 65 -26.163 2.330 -12.691 1.00 0.00 C ATOM 1160 OG1 THR P 65 -24.918 2.323 -13.363 1.00 0.00 O ATOM 1161 CG2 THR P 65 -26.197 3.565 -11.791 1.00 0.00 C ATOM 0 H THR P 65 -24.315 0.805 -11.356 1.00 0.00 H new ATOM 0 HA THR P 65 -27.244 1.088 -11.274 1.00 0.00 H new ATOM 0 HB THR P 65 -26.987 2.371 -13.404 1.00 0.00 H new ATOM 0 HG1 THR P 65 -24.821 3.150 -13.880 1.00 0.00 H new ATOM 0 HG21 THR P 65 -26.072 4.461 -12.398 1.00 0.00 H new ATOM 0 HG22 THR P 65 -27.154 3.610 -11.271 1.00 0.00 H new ATOM 0 HG23 THR P 65 -25.389 3.506 -11.061 1.00 0.00 H new ATOM 1169 N ASP P 66 -25.633 -1.163 -12.719 1.00 0.00 N ATOM 1170 CA ASP P 66 -25.648 -2.413 -13.504 1.00 0.00 C ATOM 1171 C ASP P 66 -26.833 -3.349 -13.170 1.00 0.00 C ATOM 1172 O ASP P 66 -27.110 -3.585 -11.970 1.00 0.00 O ATOM 1173 CB ASP P 66 -24.298 -3.134 -13.330 1.00 0.00 C ATOM 1174 CG ASP P 66 -24.186 -4.423 -14.177 1.00 0.00 C ATOM 1175 OD1 ASP P 66 -24.012 -4.321 -15.418 1.00 0.00 O ATOM 1176 OD2 ASP P 66 -24.232 -5.540 -13.605 1.00 0.00 O ATOM 1177 OXT ASP P 66 -27.482 -3.846 -14.118 1.00 0.00 O ATOM 0 H ASP P 66 -24.856 -1.129 -12.059 1.00 0.00 H new ATOM 0 HA ASP P 66 -25.794 -2.138 -14.549 1.00 0.00 H new ATOM 0 HB2 ASP P 66 -23.492 -2.454 -13.605 1.00 0.00 H new ATOM 0 HB3 ASP P 66 -24.159 -3.384 -12.278 1.00 0.00 H new TER 1182 ASP P 66