USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 : A 1 GLY N :NH3+ 138:sc= 0.612 (180deg=0.00978) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -4.92! (180deg=-4.97!) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.188 (180deg=-0.448) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.22! USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0406 (180deg=-0.245) USER MOD Single : A 35 CYS SG : rot -4:sc= -1.43 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -2.07 K(o=-2.1,f=-4.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 128:sc= 0.572 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 179:sc= -17.4! USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.709 3.680 -6.318 1.00 2.97 N ATOM 2 CA GLY A 1 10.188 3.761 -6.473 1.00 2.83 C ATOM 3 C GLY A 1 10.781 4.989 -5.805 1.00 2.42 C ATOM 4 O GLY A 1 11.738 5.572 -6.312 1.00 2.48 O ATOM 0 H1 GLY A 1 8.282 3.379 -7.217 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.475 2.991 -5.575 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.336 4.614 -6.053 1.00 2.97 H new ATOM 0 HA2 GLY A 1 10.643 2.866 -6.049 1.00 2.83 H new ATOM 0 HA3 GLY A 1 10.438 3.773 -7.534 1.00 2.83 H new ATOM 10 N SER A 2 10.217 5.379 -4.663 1.00 2.16 N ATOM 11 CA SER A 2 10.698 6.547 -3.931 1.00 2.05 C ATOM 12 C SER A 2 9.860 6.795 -2.685 1.00 1.75 C ATOM 13 O SER A 2 10.371 7.253 -1.663 1.00 1.62 O ATOM 14 CB SER A 2 10.685 7.783 -4.826 1.00 2.84 C ATOM 15 OG SER A 2 9.375 8.075 -5.282 1.00 3.15 O ATOM 0 H SER A 2 9.428 4.903 -4.226 1.00 2.16 H new ATOM 0 HA SER A 2 11.724 6.348 -3.620 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.080 8.637 -4.276 1.00 2.84 H new ATOM 0 HB3 SER A 2 11.343 7.623 -5.680 1.00 2.84 H new ATOM 0 HG SER A 2 9.397 8.872 -5.851 1.00 3.15 H new ATOM 21 N GLN A 3 8.573 6.488 -2.771 1.00 1.94 N ATOM 22 CA GLN A 3 7.681 6.664 -1.643 1.00 1.65 C ATOM 23 C GLN A 3 7.678 5.408 -0.787 1.00 1.12 C ATOM 24 O GLN A 3 7.708 4.294 -1.305 1.00 1.83 O ATOM 25 CB GLN A 3 6.269 6.979 -2.120 1.00 2.43 C ATOM 26 CG GLN A 3 6.155 8.311 -2.843 1.00 3.29 C ATOM 27 CD GLN A 3 4.737 8.615 -3.282 1.00 4.00 C ATOM 28 OE1 GLN A 3 3.957 7.708 -3.574 1.00 4.57 O ATOM 29 NE2 GLN A 3 4.394 9.897 -3.331 1.00 4.45 N ATOM 0 H GLN A 3 8.128 6.117 -3.610 1.00 1.94 H new ATOM 0 HA GLN A 3 8.036 7.503 -1.045 1.00 1.65 H new ATOM 0 HB2 GLN A 3 5.933 6.184 -2.786 1.00 2.43 H new ATOM 0 HB3 GLN A 3 5.597 6.982 -1.262 1.00 2.43 H new ATOM 0 HG2 GLN A 3 6.507 9.107 -2.188 1.00 3.29 H new ATOM 0 HG3 GLN A 3 6.808 8.304 -3.716 1.00 3.29 H new ATOM 0 HE21 GLN A 3 5.072 10.616 -3.080 1.00 4.45 H new ATOM 0 HE22 GLN A 3 3.452 10.162 -3.619 1.00 4.45 H new ATOM 38 N VAL A 4 7.645 5.595 0.522 1.00 0.52 N ATOM 39 CA VAL A 4 7.652 4.477 1.448 1.00 1.23 C ATOM 40 C VAL A 4 6.235 4.011 1.743 1.00 1.08 C ATOM 41 O VAL A 4 5.852 3.836 2.899 1.00 1.66 O ATOM 42 CB VAL A 4 8.359 4.851 2.765 1.00 2.03 C ATOM 43 CG1 VAL A 4 7.638 5.997 3.461 1.00 3.08 C ATOM 44 CG2 VAL A 4 8.464 3.639 3.676 1.00 2.57 C ATOM 0 H VAL A 4 7.613 6.512 0.967 1.00 0.52 H new ATOM 0 HA VAL A 4 8.202 3.664 0.975 1.00 1.23 H new ATOM 0 HB VAL A 4 9.369 5.187 2.529 1.00 2.03 H new ATOM 0 HG11 VAL A 4 8.156 6.243 4.388 1.00 3.08 H new ATOM 0 HG12 VAL A 4 7.628 6.870 2.809 1.00 3.08 H new ATOM 0 HG13 VAL A 4 6.614 5.700 3.685 1.00 3.08 H new ATOM 0 HG21 VAL A 4 8.966 3.922 4.601 1.00 2.57 H new ATOM 0 HG22 VAL A 4 7.465 3.268 3.904 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.037 2.857 3.177 1.00 2.57 H new ATOM 54 N PHE A 5 5.458 3.806 0.683 1.00 0.41 N ATOM 55 CA PHE A 5 4.080 3.360 0.833 1.00 0.40 C ATOM 56 C PHE A 5 3.358 3.313 -0.515 1.00 0.40 C ATOM 57 O PHE A 5 3.620 4.128 -1.400 1.00 0.65 O ATOM 58 CB PHE A 5 3.334 4.303 1.775 1.00 0.52 C ATOM 59 CG PHE A 5 3.748 5.744 1.647 1.00 0.85 C ATOM 60 CD1 PHE A 5 4.514 6.328 0.650 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.369 5.358 2.825 1.00 1.24 C ATOM 62 CE1 PHE A 5 5.870 6.525 0.825 1.00 2.16 C ATOM 63 CE2 PHE A 5 5.725 5.554 3.005 1.00 1.82 C ATOM 64 CZ PHE A 5 4.518 8.405 1.413 1.00 1.82 C ATOM 0 H PHE A 5 5.758 3.941 -0.282 1.00 0.41 H new ATOM 0 HA PHE A 5 4.096 2.352 1.248 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.264 4.224 1.581 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.497 3.978 2.803 1.00 0.52 H new ATOM 0 HD1 PHE A 5 4.045 6.632 -0.274 1.00 1.61 H new ATOM 0 HD2 PHE A 5 3.787 4.899 3.610 1.00 1.24 H new ATOM 0 HE1 PHE A 5 6.865 6.111 0.748 1.00 2.16 H new ATOM 0 HE2 PHE A 5 6.620 5.098 3.401 1.00 1.82 H new ATOM 0 HZ PHE A 5 3.988 9.338 1.290 1.00 1.82 H new ATOM 74 N GLU A 6 2.450 2.352 -0.660 1.00 0.26 N ATOM 75 CA GLU A 6 1.672 2.205 -1.891 1.00 0.29 C ATOM 76 C GLU A 6 0.182 2.189 -1.594 1.00 0.27 C ATOM 77 O GLU A 6 -0.255 1.634 -0.591 1.00 0.32 O ATOM 78 CB GLU A 6 2.052 0.925 -2.630 1.00 0.35 C ATOM 79 CG GLU A 6 3.223 1.107 -3.572 1.00 1.04 C ATOM 80 CD GLU A 6 3.586 -0.166 -4.312 1.00 1.84 C ATOM 81 OE1 GLU A 6 2.817 -0.571 -5.210 1.00 2.36 O ATOM 82 OE2 GLU A 6 4.638 -0.758 -3.994 1.00 2.41 O ATOM 0 H GLU A 6 2.233 1.662 0.059 1.00 0.26 H new ATOM 0 HA GLU A 6 1.901 3.063 -2.524 1.00 0.29 H new ATOM 0 HB2 GLU A 6 2.296 0.151 -1.902 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.191 0.570 -3.196 1.00 0.35 H new ATOM 0 HG2 GLU A 6 2.984 1.886 -4.295 1.00 1.04 H new ATOM 0 HG3 GLU A 6 4.088 1.452 -3.006 1.00 1.04 H new ATOM 89 N TYR A 7 -0.603 2.789 -2.476 1.00 0.26 N ATOM 90 CA TYR A 7 -2.032 2.830 -2.288 1.00 0.26 C ATOM 91 C TYR A 7 -2.711 1.630 -2.916 1.00 0.24 C ATOM 92 O TYR A 7 -2.729 1.466 -4.136 1.00 0.32 O ATOM 93 CB TYR A 7 -2.597 4.126 -2.847 1.00 0.31 C ATOM 94 CG TYR A 7 -2.302 4.338 -4.317 1.00 0.41 C ATOM 95 CD1 TYR A 7 -3.138 3.826 -5.300 1.00 1.40 C ATOM 96 CD2 TYR A 7 -1.178 5.050 -4.718 1.00 1.25 C ATOM 97 CE1 TYR A 7 -2.865 4.019 -6.641 1.00 1.70 C ATOM 98 CE2 TYR A 7 -0.899 5.249 -6.057 1.00 1.45 C ATOM 99 CZ TYR A 7 -1.744 4.730 -7.014 1.00 1.28 C ATOM 100 OH TYR A 7 -1.467 4.924 -8.348 1.00 1.73 O ATOM 0 H TYR A 7 -0.270 3.250 -3.323 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.233 2.792 -1.217 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.677 4.135 -2.698 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.190 4.963 -2.280 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -4.016 3.268 -5.012 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -0.511 5.455 -3.971 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -3.526 3.615 -7.393 1.00 1.70 H new ATOM 0 HE2 TYR A 7 -0.023 5.808 -6.352 1.00 1.45 H new ATOM 0 HH TYR A 7 -0.642 5.446 -8.438 1.00 1.73 H new ATOM 110 N ALA A 8 -3.261 0.788 -2.057 1.00 0.23 N ATOM 111 CA ALA A 8 -3.962 -0.403 -2.495 1.00 0.26 C ATOM 112 C ALA A 8 -5.462 -0.167 -2.434 1.00 0.28 C ATOM 113 O ALA A 8 -6.192 -0.909 -1.778 1.00 0.38 O ATOM 114 CB ALA A 8 -3.573 -1.586 -1.623 1.00 0.35 C ATOM 0 H ALA A 8 -3.234 0.911 -1.045 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.684 -0.626 -3.525 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.104 -2.476 -1.959 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.499 -1.755 -1.697 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -3.837 -1.376 -0.586 1.00 0.35 H new ATOM 120 N GLU A 9 -5.920 0.876 -3.122 1.00 0.25 N ATOM 121 CA GLU A 9 -7.326 1.224 -3.116 1.00 0.32 C ATOM 122 C GLU A 9 -7.953 1.123 -4.474 1.00 0.33 C ATOM 123 O GLU A 9 -7.280 1.039 -5.502 1.00 0.44 O ATOM 124 CB GLU A 9 -7.509 2.615 -2.516 1.00 0.41 C ATOM 125 CG GLU A 9 -7.536 3.769 -3.511 1.00 0.36 C ATOM 126 CD GLU A 9 -6.266 3.877 -4.329 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.167 3.186 -5.364 1.00 2.80 O ATOM 128 OE2 GLU A 9 -5.374 4.660 -3.940 1.00 2.65 O ATOM 0 H GLU A 9 -5.334 1.490 -3.688 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.847 0.497 -2.494 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -8.441 2.626 -1.950 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.702 2.792 -1.805 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.385 3.642 -4.183 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.694 4.703 -2.971 1.00 0.36 H new ATOM 135 N VAL A 10 -9.265 1.127 -4.450 1.00 0.24 N ATOM 136 CA VAL A 10 -10.028 1.020 -5.650 1.00 0.27 C ATOM 137 C VAL A 10 -10.338 2.385 -6.256 1.00 0.27 C ATOM 138 O VAL A 10 -10.434 2.519 -7.474 1.00 0.35 O ATOM 139 CB VAL A 10 -11.291 0.200 -5.395 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.108 0.050 -6.669 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.909 -1.159 -4.825 1.00 0.31 C ATOM 0 H VAL A 10 -9.822 1.204 -3.599 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.427 0.494 -6.392 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.914 0.723 -4.669 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -13.002 -0.538 -6.461 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.398 1.035 -7.033 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.510 -0.455 -7.427 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.811 -1.744 -4.643 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.272 -1.686 -5.536 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.370 -1.022 -3.887 1.00 0.31 H new ATOM 151 N ASP A 11 -10.455 3.402 -5.408 1.00 0.23 N ATOM 152 CA ASP A 11 -10.735 4.759 -5.882 1.00 0.26 C ATOM 153 C ASP A 11 -10.140 5.831 -4.960 1.00 0.24 C ATOM 154 O ASP A 11 -9.684 6.872 -5.432 1.00 0.28 O ATOM 155 CB ASP A 11 -12.251 4.972 -6.045 1.00 0.31 C ATOM 156 CG ASP A 11 -12.635 6.427 -6.256 1.00 1.76 C ATOM 157 OD1 ASP A 11 -12.380 6.956 -7.359 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.195 7.036 -5.319 1.00 2.19 O ATOM 0 H ASP A 11 -10.362 3.317 -4.396 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.253 4.865 -6.854 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.604 4.384 -6.892 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.761 4.594 -5.159 1.00 0.31 H new ATOM 163 N GLU A 12 -10.139 5.582 -3.653 1.00 0.21 N ATOM 164 CA GLU A 12 -9.623 6.571 -2.701 1.00 0.23 C ATOM 165 C GLU A 12 -9.094 5.917 -1.432 1.00 0.23 C ATOM 166 O GLU A 12 -9.364 4.754 -1.173 1.00 0.29 O ATOM 167 CB GLU A 12 -10.717 7.576 -2.342 1.00 0.26 C ATOM 168 CG GLU A 12 -11.084 8.511 -3.485 1.00 0.31 C ATOM 169 CD GLU A 12 -12.123 9.541 -3.087 1.00 1.19 C ATOM 170 OE1 GLU A 12 -13.329 9.223 -3.156 1.00 2.18 O ATOM 171 OE2 GLU A 12 -11.731 10.664 -2.707 1.00 1.09 O ATOM 0 H GLU A 12 -10.483 4.720 -3.230 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.793 7.086 -3.184 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.608 7.033 -2.027 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.388 8.170 -1.489 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -10.187 9.022 -3.834 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.462 7.924 -4.322 1.00 0.31 H new ATOM 178 N ILE A 13 -8.339 6.674 -0.640 1.00 0.22 N ATOM 179 CA ILE A 13 -7.776 6.161 0.611 1.00 0.22 C ATOM 180 C ILE A 13 -7.831 7.235 1.700 1.00 0.27 C ATOM 181 O ILE A 13 -8.454 8.282 1.523 1.00 0.34 O ATOM 182 CB ILE A 13 -6.306 5.690 0.421 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.365 6.890 0.275 1.00 0.28 C ATOM 184 CG2 ILE A 13 -6.211 4.822 -0.812 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.648 7.710 -0.963 1.00 0.34 C ATOM 0 H ILE A 13 -8.102 7.646 -0.840 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.377 5.303 0.914 1.00 0.22 H new ATOM 0 HB ILE A 13 -6.007 5.120 1.301 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.456 7.526 1.155 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.335 6.536 0.243 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -5.181 4.492 -0.946 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.859 3.953 -0.696 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.525 5.394 -1.685 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.950 8.546 -1.013 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.530 7.085 -1.848 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.668 8.091 -0.922 1.00 0.34 H new ATOM 197 N VAL A 14 -7.169 6.970 2.821 1.00 0.25 N ATOM 198 CA VAL A 14 -7.120 7.917 3.930 1.00 0.30 C ATOM 199 C VAL A 14 -5.812 7.757 4.696 1.00 0.27 C ATOM 200 O VAL A 14 -5.086 8.725 4.919 1.00 0.30 O ATOM 201 CB VAL A 14 -8.322 7.743 4.886 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.164 8.601 6.135 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.617 8.091 4.169 1.00 0.67 C ATOM 0 H VAL A 14 -6.657 6.104 2.986 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.174 8.922 3.511 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.356 6.699 5.198 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -9.025 8.456 6.787 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.256 8.311 6.663 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.098 9.651 5.849 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.457 7.965 4.852 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.578 9.126 3.829 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.746 7.432 3.310 1.00 0.67 H new ATOM 213 N GLU A 15 -5.523 6.527 5.097 1.00 0.28 N ATOM 214 CA GLU A 15 -4.293 6.228 5.819 1.00 0.27 C ATOM 215 C GLU A 15 -3.209 5.805 4.836 1.00 0.26 C ATOM 216 O GLU A 15 -3.480 5.076 3.890 1.00 0.48 O ATOM 217 CB GLU A 15 -4.531 5.123 6.850 1.00 0.32 C ATOM 218 CG GLU A 15 -3.282 4.735 7.624 1.00 1.30 C ATOM 219 CD GLU A 15 -2.686 5.902 8.386 1.00 1.98 C ATOM 220 OE1 GLU A 15 -3.092 6.124 9.547 1.00 2.07 O ATOM 221 OE2 GLU A 15 -1.812 6.594 7.824 1.00 2.96 O ATOM 0 H GLU A 15 -6.124 5.719 4.935 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.968 7.125 6.346 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -5.297 5.452 7.553 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -4.922 4.242 6.342 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -3.525 3.935 8.323 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -2.538 4.339 6.933 1.00 1.30 H new ATOM 228 N LYS A 16 -1.992 6.285 5.035 1.00 0.20 N ATOM 229 CA LYS A 16 -0.894 5.936 4.139 1.00 0.23 C ATOM 230 C LYS A 16 0.453 6.000 4.865 1.00 0.25 C ATOM 231 O LYS A 16 1.104 7.045 4.873 1.00 0.35 O ATOM 232 CB LYS A 16 -0.877 6.896 2.949 1.00 0.32 C ATOM 233 CG LYS A 16 -1.007 8.359 3.343 1.00 0.41 C ATOM 234 CD LYS A 16 -0.949 9.271 2.127 1.00 0.50 C ATOM 235 CE LYS A 16 -2.106 9.005 1.177 1.00 1.43 C ATOM 236 NZ LYS A 16 -2.067 9.903 -0.011 1.00 2.13 N ATOM 0 H LYS A 16 -1.738 6.911 5.799 1.00 0.20 H new ATOM 0 HA LYS A 16 -1.049 4.915 3.791 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.052 6.759 2.396 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.692 6.637 2.273 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.949 8.513 3.870 1.00 0.41 H new ATOM 0 HG3 LYS A 16 -0.208 8.623 4.035 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -0.973 10.312 2.450 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -0.005 9.122 1.603 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -2.074 7.966 0.848 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -3.049 9.143 1.706 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -2.872 9.690 -0.634 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -2.123 10.894 0.301 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -1.179 9.753 -0.530 1.00 2.13 H new ATOM 250 N ARG A 17 0.874 4.895 5.472 1.00 0.22 N ATOM 251 CA ARG A 17 2.141 4.879 6.208 1.00 0.31 C ATOM 252 C ARG A 17 2.711 3.470 6.283 1.00 0.30 C ATOM 253 O ARG A 17 2.397 2.724 7.211 1.00 0.33 O ATOM 254 CB ARG A 17 1.941 5.439 7.616 1.00 0.41 C ATOM 255 CG ARG A 17 3.211 5.458 8.450 1.00 1.20 C ATOM 256 CD ARG A 17 4.292 6.306 7.798 1.00 1.68 C ATOM 257 NE ARG A 17 3.863 7.689 7.607 1.00 2.30 N ATOM 258 CZ ARG A 17 4.705 8.704 7.436 1.00 3.07 C ATOM 259 NH1 ARG A 17 6.014 8.488 7.432 1.00 3.46 N ATOM 260 NH2 ARG A 17 4.239 9.933 7.267 1.00 3.83 N ATOM 0 H ARG A 17 0.368 4.009 5.472 1.00 0.22 H new ATOM 0 HA ARG A 17 2.852 5.507 5.672 1.00 0.31 H new ATOM 0 HB2 ARG A 17 1.550 6.454 7.542 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.187 4.844 8.131 1.00 0.41 H new ATOM 0 HG2 ARG A 17 2.990 5.849 9.443 1.00 1.20 H new ATOM 0 HG3 ARG A 17 3.576 4.440 8.582 1.00 1.20 H new ATOM 0 HD2 ARG A 17 5.189 6.287 8.416 1.00 1.68 H new ATOM 0 HD3 ARG A 17 4.560 5.873 6.834 1.00 1.68 H new ATOM 0 HE ARG A 17 2.862 7.887 7.605 1.00 2.30 H new ATOM 0 HH11 ARG A 17 6.375 7.543 7.560 1.00 3.46 H new ATOM 0 HH12 ARG A 17 6.659 9.267 7.301 1.00 3.46 H new ATOM 0 HH21 ARG A 17 3.233 10.102 7.268 1.00 3.83 H new ATOM 0 HH22 ARG A 17 4.886 10.710 7.136 1.00 3.83 H new ATOM 274 N GLY A 18 3.544 3.093 5.320 1.00 0.29 N ATOM 275 CA GLY A 18 4.085 1.752 5.338 1.00 0.28 C ATOM 276 C GLY A 18 5.429 1.614 4.667 1.00 0.32 C ATOM 277 O GLY A 18 6.356 2.382 4.921 1.00 0.41 O ATOM 0 H GLY A 18 3.848 3.680 4.543 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.174 1.423 6.373 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.378 1.081 4.850 1.00 0.28 H new ATOM 281 N LYS A 19 5.514 0.604 3.809 1.00 0.30 N ATOM 282 CA LYS A 19 6.717 0.289 3.074 1.00 0.36 C ATOM 283 C LYS A 19 6.441 0.385 1.570 1.00 0.45 C ATOM 284 O LYS A 19 6.030 1.431 1.087 1.00 0.76 O ATOM 285 CB LYS A 19 7.136 -1.105 3.495 1.00 0.29 C ATOM 286 CG LYS A 19 7.602 -1.166 4.931 1.00 0.37 C ATOM 287 CD LYS A 19 7.978 -2.573 5.313 1.00 0.33 C ATOM 288 CE LYS A 19 8.571 -2.620 6.712 1.00 0.51 C ATOM 289 NZ LYS A 19 8.929 -4.002 7.124 1.00 1.13 N ATOM 0 H LYS A 19 4.735 -0.023 3.607 1.00 0.30 H new ATOM 0 HA LYS A 19 7.524 0.990 3.288 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.297 -1.788 3.360 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.937 -1.452 2.842 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.459 -0.506 5.068 1.00 0.37 H new ATOM 0 HG3 LYS A 19 6.812 -0.804 5.590 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.097 -3.214 5.266 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.698 -2.968 4.596 1.00 0.33 H new ATOM 0 HE2 LYS A 19 9.460 -1.990 6.749 1.00 0.51 H new ATOM 0 HE3 LYS A 19 7.856 -2.205 7.422 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 9.523 -3.967 7.977 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 8.062 -4.539 7.328 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.453 -4.468 6.356 1.00 1.13 H new ATOM 303 N GLY A 20 6.669 -0.686 0.825 1.00 0.47 N ATOM 304 CA GLY A 20 6.374 -0.675 -0.578 1.00 0.51 C ATOM 305 C GLY A 20 4.996 -1.221 -0.775 1.00 0.42 C ATOM 306 O GLY A 20 4.221 -0.753 -1.604 1.00 0.48 O ATOM 0 H GLY A 20 7.055 -1.562 1.176 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.440 0.339 -0.971 1.00 0.51 H new ATOM 0 HA3 GLY A 20 7.102 -1.276 -1.123 1.00 0.51 H new ATOM 310 N LYS A 21 4.724 -2.245 0.013 1.00 0.33 N ATOM 311 CA LYS A 21 3.434 -2.903 0.025 1.00 0.33 C ATOM 312 C LYS A 21 2.975 -3.202 1.465 1.00 0.27 C ATOM 313 O LYS A 21 1.888 -3.741 1.670 1.00 0.32 O ATOM 314 CB LYS A 21 3.511 -4.190 -0.793 1.00 0.46 C ATOM 315 CG LYS A 21 2.386 -4.334 -1.799 1.00 0.88 C ATOM 316 CD LYS A 21 1.068 -4.673 -1.118 1.00 1.58 C ATOM 317 CE LYS A 21 0.303 -3.421 -0.716 1.00 2.52 C ATOM 318 NZ LYS A 21 -0.966 -3.751 -0.009 1.00 3.41 N ATOM 0 H LYS A 21 5.398 -2.645 0.666 1.00 0.33 H new ATOM 0 HA LYS A 21 2.697 -2.236 -0.422 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.465 -4.220 -1.319 1.00 0.46 H new ATOM 0 HB3 LYS A 21 3.494 -5.044 -0.115 1.00 0.46 H new ATOM 0 HG2 LYS A 21 2.278 -3.406 -2.361 1.00 0.88 H new ATOM 0 HG3 LYS A 21 2.637 -5.114 -2.517 1.00 0.88 H new ATOM 0 HD2 LYS A 21 0.455 -5.274 -1.790 1.00 1.58 H new ATOM 0 HD3 LYS A 21 1.261 -5.281 -0.234 1.00 1.58 H new ATOM 0 HE2 LYS A 21 0.929 -2.804 -0.071 1.00 2.52 H new ATOM 0 HE3 LYS A 21 0.081 -2.830 -1.604 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 -1.575 -2.908 0.023 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 -1.458 -4.514 -0.516 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 -0.753 -4.061 0.960 1.00 3.41 H new ATOM 332 N ASP A 22 3.790 -2.822 2.465 1.00 0.21 N ATOM 333 CA ASP A 22 3.459 -3.054 3.865 1.00 0.23 C ATOM 334 C ASP A 22 2.631 -1.926 4.435 1.00 0.21 C ATOM 335 O ASP A 22 2.430 -1.837 5.643 1.00 0.26 O ATOM 336 CB ASP A 22 4.726 -3.177 4.707 1.00 0.26 C ATOM 337 CG ASP A 22 4.453 -3.740 6.092 1.00 0.34 C ATOM 338 OD1 ASP A 22 4.111 -2.948 6.995 1.00 0.94 O ATOM 339 OD2 ASP A 22 4.582 -4.965 6.276 1.00 1.22 O ATOM 0 H ASP A 22 4.683 -2.352 2.319 1.00 0.21 H new ATOM 0 HA ASP A 22 2.887 -3.981 3.901 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.440 -3.820 4.192 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.191 -2.196 4.803 1.00 0.26 H new ATOM 344 N VAL A 23 2.172 -1.058 3.572 1.00 0.17 N ATOM 345 CA VAL A 23 1.367 0.061 3.995 1.00 0.18 C ATOM 346 C VAL A 23 -0.111 -0.287 4.032 1.00 0.16 C ATOM 347 O VAL A 23 -0.594 -1.109 3.253 1.00 0.18 O ATOM 348 CB VAL A 23 1.589 1.268 3.082 1.00 0.20 C ATOM 349 CG1 VAL A 23 0.861 1.107 1.754 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.153 2.535 3.777 1.00 0.23 C ATOM 0 H VAL A 23 2.342 -1.104 2.567 1.00 0.17 H new ATOM 0 HA VAL A 23 1.682 0.314 5.007 1.00 0.18 H new ATOM 0 HB VAL A 23 2.655 1.333 2.865 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.042 1.983 1.131 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.229 0.217 1.243 1.00 0.34 H new ATOM 0 HG13 VAL A 23 -0.209 1.005 1.936 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.316 3.387 3.117 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.094 2.467 4.027 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.733 2.667 4.690 1.00 0.23 H new ATOM 360 N GLU A 24 -0.823 0.380 4.913 1.00 0.18 N ATOM 361 CA GLU A 24 -2.248 0.157 5.058 1.00 0.22 C ATOM 362 C GLU A 24 -3.026 1.356 4.527 1.00 0.24 C ATOM 363 O GLU A 24 -3.132 2.386 5.193 1.00 0.48 O ATOM 364 CB GLU A 24 -2.615 -0.088 6.520 1.00 0.34 C ATOM 365 CG GLU A 24 -1.971 0.898 7.481 1.00 0.45 C ATOM 366 CD GLU A 24 -2.306 0.606 8.931 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.619 -0.240 9.541 1.00 1.26 O ATOM 368 OE2 GLU A 24 -3.258 1.220 9.456 1.00 1.22 O ATOM 0 H GLU A 24 -0.439 1.084 5.543 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.512 -0.729 4.480 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.698 -0.034 6.628 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.317 -1.099 6.796 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.889 0.873 7.350 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -2.299 1.908 7.233 1.00 0.45 H new ATOM 375 N TYR A 25 -3.565 1.216 3.327 1.00 0.18 N ATOM 376 CA TYR A 25 -4.325 2.279 2.696 1.00 0.22 C ATOM 377 C TYR A 25 -5.812 1.970 2.767 1.00 0.30 C ATOM 378 O TYR A 25 -6.202 0.814 2.796 1.00 0.65 O ATOM 379 CB TYR A 25 -3.906 2.435 1.238 1.00 0.23 C ATOM 380 CG TYR A 25 -2.766 3.403 1.031 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.525 3.176 1.600 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.932 4.543 0.255 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.480 4.056 1.400 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.891 5.424 0.047 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.667 5.177 0.621 1.00 0.25 C ATOM 386 OH TYR A 25 0.376 6.049 0.412 1.00 0.30 O ATOM 0 H TYR A 25 -3.488 0.367 2.767 1.00 0.18 H new ATOM 0 HA TYR A 25 -4.124 3.210 3.226 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.617 1.460 0.846 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.765 2.770 0.657 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.372 2.298 2.209 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.894 4.743 -0.194 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.482 3.866 1.853 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -2.037 6.303 -0.563 1.00 0.25 H new ATOM 0 HH TYR A 25 0.077 6.786 -0.160 1.00 0.30 H new ATOM 396 N LEU A 26 -6.639 2.999 2.784 1.00 0.19 N ATOM 397 CA LEU A 26 -8.078 2.812 2.833 1.00 0.19 C ATOM 398 C LEU A 26 -8.595 2.737 1.414 1.00 0.17 C ATOM 399 O LEU A 26 -7.956 3.245 0.496 1.00 0.17 O ATOM 400 CB LEU A 26 -8.745 3.967 3.590 1.00 0.20 C ATOM 401 CG LEU A 26 -10.276 3.956 3.580 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.825 3.383 4.876 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.822 5.352 3.342 1.00 0.96 C ATOM 0 H LEU A 26 -6.339 3.974 2.765 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.315 1.890 3.363 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.404 3.946 4.625 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.402 4.908 3.160 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.601 3.315 2.761 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.914 3.387 4.843 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.469 2.360 5.001 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.486 3.990 5.715 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.912 5.321 3.339 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.480 6.017 4.136 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.467 5.723 2.380 1.00 0.96 H new ATOM 415 N VAL A 27 -9.723 2.083 1.206 1.00 0.18 N ATOM 416 CA VAL A 27 -10.246 1.985 -0.140 1.00 0.18 C ATOM 417 C VAL A 27 -11.739 2.219 -0.242 1.00 0.18 C ATOM 418 O VAL A 27 -12.552 1.408 0.200 1.00 0.22 O ATOM 419 CB VAL A 27 -9.828 0.665 -0.851 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.871 -0.156 -0.006 1.00 0.40 C ATOM 421 CG2 VAL A 27 -11.005 -0.206 -1.302 1.00 0.36 C ATOM 0 H VAL A 27 -10.279 1.625 1.928 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.777 2.810 -0.675 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.317 0.994 -1.756 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.605 -1.068 -0.540 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.970 0.425 0.191 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -9.350 -0.415 0.938 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.627 -1.106 -1.788 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.604 -0.486 -0.435 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.623 0.353 -2.004 1.00 0.36 H new ATOM 431 N ARG A 28 -12.077 3.350 -0.833 1.00 0.16 N ATOM 432 CA ARG A 28 -13.453 3.672 -1.104 1.00 0.18 C ATOM 433 C ARG A 28 -13.787 2.970 -2.383 1.00 0.16 C ATOM 434 O ARG A 28 -13.814 3.580 -3.452 1.00 0.20 O ATOM 435 CB ARG A 28 -13.655 5.172 -1.259 1.00 0.21 C ATOM 436 CG ARG A 28 -12.892 6.002 -0.240 1.00 1.14 C ATOM 437 CD ARG A 28 -13.296 7.466 -0.296 1.00 1.22 C ATOM 438 NE ARG A 28 -12.454 8.295 0.559 1.00 1.99 N ATOM 439 CZ ARG A 28 -12.817 9.486 1.025 1.00 2.29 C ATOM 440 NH1 ARG A 28 -14.008 9.985 0.723 1.00 2.04 N ATOM 441 NH2 ARG A 28 -11.989 10.178 1.795 1.00 3.27 N ATOM 0 H ARG A 28 -11.409 4.060 -1.133 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.096 3.358 -0.282 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.345 5.469 -2.261 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -14.718 5.397 -1.174 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -13.077 5.611 0.760 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -11.822 5.912 -0.425 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -13.231 7.822 -1.324 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -14.337 7.568 0.011 1.00 1.22 H new ATOM 0 HE ARG A 28 -11.532 7.940 0.814 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -14.648 9.455 0.132 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -14.284 10.899 1.082 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -11.073 9.797 2.030 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -12.268 11.092 2.152 1.00 3.27 H new ATOM 455 N TRP A 29 -14.014 1.667 -2.248 1.00 0.19 N ATOM 456 CA TRP A 29 -14.308 0.779 -3.364 1.00 0.25 C ATOM 457 C TRP A 29 -14.959 1.515 -4.517 1.00 0.25 C ATOM 458 O TRP A 29 -16.170 1.710 -4.540 1.00 0.30 O ATOM 459 CB TRP A 29 -15.225 -0.333 -2.880 1.00 0.34 C ATOM 460 CG TRP A 29 -14.964 -1.650 -3.543 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.097 -1.888 -4.569 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.577 -2.906 -3.232 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.129 -3.217 -4.914 1.00 0.93 N ATOM 464 CE2 TRP A 29 -15.031 -3.864 -4.109 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.532 -3.315 -2.298 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -15.411 -5.204 -4.077 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -16.908 -4.646 -2.268 1.00 1.02 C ATOM 468 CH2 TRP A 29 -16.348 -5.576 -3.153 1.00 1.31 C ATOM 0 H TRP A 29 -13.998 1.193 -1.345 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.368 0.367 -3.730 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -15.108 -0.448 -1.802 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.261 -0.044 -3.059 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.476 -1.141 -5.041 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.572 -3.652 -5.650 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -16.969 -2.605 -1.612 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -14.981 -5.924 -4.758 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -17.646 -4.973 -1.550 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -16.663 -6.608 -3.105 1.00 1.31 H new ATOM 479 N LYS A 30 -14.099 1.976 -5.430 1.00 0.25 N ATOM 480 CA LYS A 30 -14.533 2.699 -6.646 1.00 0.30 C ATOM 481 C LYS A 30 -15.945 2.302 -7.087 1.00 0.36 C ATOM 482 O LYS A 30 -16.716 3.136 -7.558 1.00 0.42 O ATOM 483 CB LYS A 30 -13.573 2.412 -7.800 1.00 0.35 C ATOM 484 CG LYS A 30 -13.838 3.261 -9.034 1.00 0.69 C ATOM 485 CD LYS A 30 -12.942 2.856 -10.194 1.00 1.11 C ATOM 486 CE LYS A 30 -13.184 3.727 -11.416 1.00 1.70 C ATOM 487 NZ LYS A 30 -14.602 3.670 -11.869 1.00 2.46 N ATOM 0 H LYS A 30 -13.088 1.864 -5.355 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.532 3.760 -6.395 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.551 2.584 -7.463 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.647 1.359 -8.070 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -14.883 3.161 -9.328 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -13.673 4.312 -8.796 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -11.897 2.933 -9.892 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -13.124 1.812 -10.448 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -12.918 4.758 -11.185 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -12.531 3.404 -12.227 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -14.681 4.091 -12.817 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -14.916 2.679 -11.903 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -15.201 4.200 -11.204 1.00 2.46 H new ATOM 501 N ASP A 31 -16.264 1.020 -6.942 1.00 0.39 N ATOM 502 CA ASP A 31 -17.582 0.507 -7.294 1.00 0.48 C ATOM 503 C ASP A 31 -18.237 -0.124 -6.070 1.00 0.45 C ATOM 504 O ASP A 31 -18.597 -1.302 -6.079 1.00 0.52 O ATOM 505 CB ASP A 31 -17.475 -0.517 -8.426 1.00 0.59 C ATOM 506 CG ASP A 31 -16.949 0.092 -9.712 1.00 1.31 C ATOM 507 OD1 ASP A 31 -15.715 0.099 -9.904 1.00 1.92 O ATOM 508 OD2 ASP A 31 -17.771 0.563 -10.526 1.00 2.02 O ATOM 0 H ASP A 31 -15.623 0.314 -6.581 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.200 1.336 -7.639 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.817 -1.329 -8.116 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -18.456 -0.955 -8.610 1.00 0.59 H new ATOM 513 N GLY A 32 -18.385 0.673 -5.014 1.00 0.39 N ATOM 514 CA GLY A 32 -18.975 0.188 -3.781 1.00 0.40 C ATOM 515 C GLY A 32 -19.731 1.264 -3.030 1.00 0.42 C ATOM 516 O GLY A 32 -20.110 2.287 -3.601 1.00 0.59 O ATOM 0 H GLY A 32 -18.104 1.653 -4.993 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.652 -0.635 -4.007 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.189 -0.212 -3.140 1.00 0.40 H new ATOM 520 N GLY A 33 -19.949 1.029 -1.740 1.00 0.43 N ATOM 521 CA GLY A 33 -20.655 1.989 -0.912 1.00 0.48 C ATOM 522 C GLY A 33 -20.084 2.068 0.492 1.00 0.46 C ATOM 523 O GLY A 33 -20.728 2.592 1.402 1.00 0.86 O ATOM 0 H GLY A 33 -19.647 0.186 -1.251 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.606 2.973 -1.378 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.708 1.714 -0.859 1.00 0.48 H new ATOM 527 N ASP A 34 -18.871 1.548 0.670 1.00 0.45 N ATOM 528 CA ASP A 34 -18.215 1.559 1.971 1.00 0.40 C ATOM 529 C ASP A 34 -16.742 1.928 1.831 1.00 0.38 C ATOM 530 O ASP A 34 -16.247 2.136 0.724 1.00 0.62 O ATOM 531 CB ASP A 34 -18.347 0.190 2.641 1.00 0.55 C ATOM 532 CG ASP A 34 -19.787 -0.165 2.954 1.00 1.31 C ATOM 533 OD1 ASP A 34 -20.510 -0.581 2.024 1.00 2.13 O ATOM 534 OD2 ASP A 34 -20.192 -0.025 4.127 1.00 1.40 O ATOM 0 H ASP A 34 -18.324 1.114 -0.073 1.00 0.45 H new ATOM 0 HA ASP A 34 -18.703 2.310 2.592 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -17.921 -0.573 1.989 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -17.765 0.182 3.563 1.00 0.55 H new ATOM 539 N CYS A 35 -16.046 2.006 2.960 1.00 0.40 N ATOM 540 CA CYS A 35 -14.631 2.352 2.961 1.00 0.44 C ATOM 541 C CYS A 35 -13.892 1.624 4.079 1.00 0.39 C ATOM 542 O CYS A 35 -14.064 1.937 5.257 1.00 0.61 O ATOM 543 CB CYS A 35 -14.456 3.864 3.122 1.00 0.72 C ATOM 544 SG CYS A 35 -15.325 4.844 1.875 1.00 1.60 S ATOM 0 H CYS A 35 -16.439 1.834 3.885 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.206 2.041 2.006 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -14.810 4.157 4.110 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -13.393 4.103 3.080 1.00 0.72 H new ATOM 0 HG CYS A 35 -15.873 4.050 1.004 1.00 1.60 H new ATOM 550 N GLU A 36 -13.065 0.652 3.703 1.00 0.32 N ATOM 551 CA GLU A 36 -12.305 -0.120 4.681 1.00 0.43 C ATOM 552 C GLU A 36 -10.805 0.057 4.473 1.00 0.34 C ATOM 553 O GLU A 36 -10.364 0.570 3.445 1.00 0.36 O ATOM 554 CB GLU A 36 -12.667 -1.600 4.592 1.00 0.63 C ATOM 555 CG GLU A 36 -14.163 -1.858 4.537 1.00 1.20 C ATOM 556 CD GLU A 36 -14.897 -1.265 5.723 1.00 1.70 C ATOM 557 OE1 GLU A 36 -15.006 -1.954 6.760 1.00 2.22 O ATOM 558 OE2 GLU A 36 -15.364 -0.113 5.615 1.00 2.27 O ATOM 0 H GLU A 36 -12.905 0.381 2.733 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.564 0.252 5.672 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.200 -2.027 3.704 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -12.248 -2.120 5.454 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.567 -1.438 3.616 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.342 -2.933 4.503 1.00 1.20 H new ATOM 565 N TRP A 37 -10.030 -0.376 5.461 1.00 0.40 N ATOM 566 CA TRP A 37 -8.579 -0.260 5.410 1.00 0.33 C ATOM 567 C TRP A 37 -7.939 -1.473 4.750 1.00 0.35 C ATOM 568 O TRP A 37 -8.419 -2.599 4.885 1.00 0.46 O ATOM 569 CB TRP A 37 -8.010 -0.110 6.824 1.00 0.38 C ATOM 570 CG TRP A 37 -8.440 1.143 7.517 1.00 0.39 C ATOM 571 CD1 TRP A 37 -8.783 2.323 6.929 1.00 0.45 C ATOM 572 CD2 TRP A 37 -8.561 1.344 8.928 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.117 3.248 7.888 1.00 0.51 N ATOM 574 CE2 TRP A 37 -8.988 2.671 9.125 1.00 0.50 C ATOM 575 CE3 TRP A 37 -8.352 0.530 10.046 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -9.211 3.201 10.393 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -8.573 1.057 11.305 1.00 0.71 C ATOM 578 CH2 TRP A 37 -8.997 2.381 11.469 1.00 0.70 C ATOM 0 H TRP A 37 -10.386 -0.813 6.311 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.347 0.623 4.815 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.316 -0.968 7.422 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -6.921 -0.130 6.772 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -8.791 2.505 5.864 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -9.413 4.208 7.709 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.024 -0.492 9.928 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -9.541 4.221 10.523 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -8.416 0.437 12.176 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -9.159 2.764 12.466 1.00 0.70 H new ATOM 589 N VAL A 38 -6.848 -1.228 4.036 1.00 0.28 N ATOM 590 CA VAL A 38 -6.107 -2.292 3.372 1.00 0.37 C ATOM 591 C VAL A 38 -5.061 -2.860 4.317 1.00 0.36 C ATOM 592 O VAL A 38 -4.705 -2.229 5.312 1.00 0.31 O ATOM 593 CB VAL A 38 -5.412 -1.788 2.092 1.00 0.41 C ATOM 594 CG1 VAL A 38 -4.601 -2.899 1.443 1.00 0.65 C ATOM 595 CG2 VAL A 38 -6.433 -1.238 1.118 1.00 0.46 C ATOM 0 H VAL A 38 -6.455 -0.296 3.902 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.821 -3.066 3.092 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.728 -0.986 2.369 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -4.120 -2.519 0.542 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.840 -3.249 2.141 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -5.261 -3.726 1.181 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.926 -0.886 0.219 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -7.141 -2.023 0.851 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.968 -0.409 1.581 1.00 0.46 H new ATOM 605 N LYS A 39 -4.568 -4.048 4.006 1.00 0.46 N ATOM 606 CA LYS A 39 -3.582 -4.694 4.852 1.00 0.48 C ATOM 607 C LYS A 39 -2.198 -4.085 4.712 1.00 0.38 C ATOM 608 O LYS A 39 -1.489 -4.322 3.735 1.00 0.45 O ATOM 609 CB LYS A 39 -3.534 -6.195 4.567 1.00 0.63 C ATOM 610 CG LYS A 39 -2.550 -6.954 5.443 1.00 0.67 C ATOM 611 CD LYS A 39 -2.547 -8.438 5.114 1.00 1.09 C ATOM 612 CE LYS A 39 -1.627 -9.215 6.043 1.00 1.61 C ATOM 613 NZ LYS A 39 -1.635 -10.673 5.740 1.00 2.32 N ATOM 0 H LYS A 39 -4.834 -4.581 3.178 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.897 -4.532 5.883 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.530 -6.614 4.708 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.269 -6.349 3.521 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.548 -6.547 5.305 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.810 -6.813 6.492 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.561 -8.831 5.193 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -2.229 -8.582 4.082 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -0.611 -8.831 5.952 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -1.937 -9.057 7.076 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -0.996 -11.167 6.395 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -2.600 -11.045 5.851 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -1.315 -10.826 4.762 1.00 2.32 H new ATOM 627 N GLY A 40 -1.830 -3.294 5.714 1.00 0.32 N ATOM 628 CA GLY A 40 -0.525 -2.672 5.731 1.00 0.27 C ATOM 629 C GLY A 40 0.479 -3.474 6.524 1.00 0.28 C ATOM 630 O GLY A 40 1.193 -2.942 7.374 1.00 0.35 O ATOM 0 H GLY A 40 -2.418 -3.073 6.518 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.167 -2.555 4.708 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.607 -1.672 6.157 1.00 0.27 H new ATOM 634 N VAL A 41 0.507 -4.771 6.259 1.00 0.29 N ATOM 635 CA VAL A 41 1.449 -5.669 6.903 1.00 0.39 C ATOM 636 C VAL A 41 2.329 -6.337 5.852 1.00 0.38 C ATOM 637 O VAL A 41 3.191 -7.151 6.181 1.00 0.45 O ATOM 638 CB VAL A 41 0.750 -6.772 7.717 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.678 -7.304 8.799 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.554 -6.269 8.318 1.00 0.51 C ATOM 0 H VAL A 41 -0.119 -5.227 5.595 1.00 0.29 H new ATOM 0 HA VAL A 41 2.044 -5.062 7.586 1.00 0.39 H new ATOM 0 HB VAL A 41 0.507 -7.591 7.040 1.00 0.50 H new ATOM 0 HG11 VAL A 41 1.168 -8.083 9.365 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.575 -7.718 8.338 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.958 -6.492 9.470 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.025 -7.070 8.887 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.349 -5.426 8.979 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.223 -5.949 7.519 1.00 0.51 H new ATOM 650 N HIS A 42 2.109 -5.988 4.580 1.00 0.35 N ATOM 651 CA HIS A 42 2.881 -6.563 3.497 1.00 0.40 C ATOM 652 C HIS A 42 4.288 -6.021 3.522 1.00 0.36 C ATOM 653 O HIS A 42 4.662 -5.159 2.734 1.00 0.31 O ATOM 654 CB HIS A 42 2.187 -6.321 2.156 1.00 0.43 C ATOM 655 CG HIS A 42 1.850 -7.582 1.423 1.00 0.64 C ATOM 656 ND1 HIS A 42 0.595 -7.843 0.917 1.00 1.35 N ATOM 657 CD2 HIS A 42 2.612 -8.657 1.108 1.00 1.27 C ATOM 658 CE1 HIS A 42 0.597 -9.024 0.324 1.00 1.32 C ATOM 659 NE2 HIS A 42 1.810 -9.538 0.426 1.00 1.17 N ATOM 0 H HIS A 42 1.404 -5.312 4.286 1.00 0.35 H new ATOM 0 HA HIS A 42 2.944 -7.643 3.630 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.272 -5.753 2.326 1.00 0.43 H new ATOM 0 HB3 HIS A 42 2.831 -5.706 1.528 1.00 0.43 H new ATOM 0 HD1 HIS A 42 -0.210 -7.221 0.989 1.00 1.35 H new ATOM 0 HD2 HIS A 42 3.656 -8.795 1.349 1.00 1.27 H new ATOM 0 HE1 HIS A 42 -0.248 -9.489 -0.161 1.00 1.32 H new ATOM 668 N VAL A 43 5.050 -6.597 4.442 1.00 0.43 N ATOM 669 CA VAL A 43 6.442 -6.228 4.689 1.00 0.44 C ATOM 670 C VAL A 43 7.326 -6.351 3.461 1.00 0.44 C ATOM 671 O VAL A 43 8.211 -7.198 3.408 1.00 0.54 O ATOM 672 CB VAL A 43 7.035 -7.085 5.834 1.00 0.55 C ATOM 673 CG1 VAL A 43 8.515 -6.791 6.044 1.00 1.49 C ATOM 674 CG2 VAL A 43 6.259 -6.861 7.122 1.00 1.34 C ATOM 0 H VAL A 43 4.715 -7.346 5.048 1.00 0.43 H new ATOM 0 HA VAL A 43 6.427 -5.175 4.972 1.00 0.44 H new ATOM 0 HB VAL A 43 6.944 -8.132 5.546 1.00 0.55 H new ATOM 0 HG11 VAL A 43 8.897 -7.410 6.855 1.00 1.49 H new ATOM 0 HG12 VAL A 43 9.063 -7.013 5.128 1.00 1.49 H new ATOM 0 HG13 VAL A 43 8.644 -5.739 6.299 1.00 1.49 H new ATOM 0 HG21 VAL A 43 6.689 -7.471 7.917 1.00 1.34 H new ATOM 0 HG22 VAL A 43 6.314 -5.809 7.402 1.00 1.34 H new ATOM 0 HG23 VAL A 43 5.217 -7.142 6.972 1.00 1.34 H new ATOM 684 N ALA A 44 7.102 -5.474 2.498 1.00 0.36 N ATOM 685 CA ALA A 44 7.908 -5.447 1.295 1.00 0.42 C ATOM 686 C ALA A 44 9.086 -4.508 1.500 1.00 0.41 C ATOM 687 O ALA A 44 9.335 -3.611 0.695 1.00 0.45 O ATOM 688 CB ALA A 44 7.077 -5.028 0.093 1.00 0.48 C ATOM 0 H ALA A 44 6.365 -4.769 2.528 1.00 0.36 H new ATOM 0 HA ALA A 44 8.285 -6.450 1.095 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.706 -5.016 -0.797 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.260 -5.736 -0.049 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.668 -4.032 0.263 1.00 0.48 H new ATOM 694 N GLU A 45 9.809 -4.731 2.597 1.00 0.43 N ATOM 695 CA GLU A 45 10.969 -3.914 2.943 1.00 0.49 C ATOM 696 C GLU A 45 11.874 -3.736 1.734 1.00 0.53 C ATOM 697 O GLU A 45 12.602 -2.752 1.624 1.00 0.62 O ATOM 698 CB GLU A 45 11.753 -4.556 4.090 1.00 0.58 C ATOM 699 CG GLU A 45 13.036 -3.819 4.437 1.00 1.27 C ATOM 700 CD GLU A 45 13.777 -4.455 5.597 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.574 -5.387 5.354 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.562 -4.022 6.749 1.00 2.42 O ATOM 0 H GLU A 45 9.609 -5.476 3.264 1.00 0.43 H new ATOM 0 HA GLU A 45 10.613 -2.935 3.264 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.117 -4.598 4.975 1.00 0.58 H new ATOM 0 HB3 GLU A 45 11.996 -5.584 3.822 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.687 -3.798 3.563 1.00 1.27 H new ATOM 0 HG3 GLU A 45 12.801 -2.784 4.684 1.00 1.27 H new ATOM 709 N ASP A 46 11.821 -4.708 0.835 1.00 0.54 N ATOM 710 CA ASP A 46 12.620 -4.659 -0.383 1.00 0.62 C ATOM 711 C ASP A 46 12.080 -3.594 -1.319 1.00 0.65 C ATOM 712 O ASP A 46 12.838 -2.822 -1.891 1.00 0.75 O ATOM 713 CB ASP A 46 12.616 -6.015 -1.082 1.00 0.68 C ATOM 714 CG ASP A 46 13.203 -7.114 -0.219 1.00 1.64 C ATOM 715 OD1 ASP A 46 12.447 -7.716 0.572 1.00 2.48 O ATOM 716 OD2 ASP A 46 14.419 -7.375 -0.335 1.00 1.96 O ATOM 0 H ASP A 46 11.235 -5.538 0.924 1.00 0.54 H new ATOM 0 HA ASP A 46 13.646 -4.409 -0.112 1.00 0.62 H new ATOM 0 HB2 ASP A 46 11.593 -6.277 -1.353 1.00 0.68 H new ATOM 0 HB3 ASP A 46 13.184 -5.944 -2.010 1.00 0.68 H new ATOM 721 N VAL A 47 10.764 -3.541 -1.458 1.00 0.62 N ATOM 722 CA VAL A 47 10.144 -2.554 -2.328 1.00 0.72 C ATOM 723 C VAL A 47 10.396 -1.158 -1.782 1.00 0.75 C ATOM 724 O VAL A 47 10.668 -0.245 -2.528 1.00 0.88 O ATOM 725 CB VAL A 47 8.631 -2.793 -2.457 1.00 0.73 C ATOM 726 CG1 VAL A 47 7.980 -1.709 -3.304 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.363 -4.167 -3.044 1.00 0.76 C ATOM 0 H VAL A 47 10.110 -4.164 -0.984 1.00 0.62 H new ATOM 0 HA VAL A 47 10.589 -2.650 -3.319 1.00 0.72 H new ATOM 0 HB VAL A 47 8.191 -2.750 -1.461 1.00 0.73 H new ATOM 0 HG11 VAL A 47 6.910 -1.901 -3.380 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.142 -0.737 -2.838 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.421 -1.712 -4.301 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.288 -4.323 -3.130 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.819 -4.236 -4.031 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.789 -4.930 -2.393 1.00 0.76 H new ATOM 737 N ALA A 48 10.309 -1.054 -0.464 1.00 0.68 N ATOM 738 CA ALA A 48 10.518 0.178 0.299 1.00 0.77 C ATOM 739 C ALA A 48 11.989 0.558 0.315 1.00 0.86 C ATOM 740 O ALA A 48 12.363 1.649 -0.116 1.00 0.99 O ATOM 741 CB ALA A 48 10.021 -0.014 1.724 1.00 0.70 C ATOM 0 H ALA A 48 10.083 -1.852 0.130 1.00 0.68 H new ATOM 0 HA ALA A 48 9.959 0.983 -0.179 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.177 0.904 2.291 1.00 0.70 H new ATOM 0 HB2 ALA A 48 8.958 -0.255 1.709 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.571 -0.829 2.195 1.00 0.70 H new ATOM 747 N LYS A 49 12.821 -0.350 0.816 1.00 0.81 N ATOM 748 CA LYS A 49 14.255 -0.111 0.874 1.00 0.92 C ATOM 749 C LYS A 49 14.770 0.186 -0.525 1.00 0.98 C ATOM 750 O LYS A 49 15.741 0.919 -0.708 1.00 1.11 O ATOM 751 CB LYS A 49 14.979 -1.327 1.454 1.00 0.90 C ATOM 752 CG LYS A 49 16.481 -1.136 1.583 1.00 1.34 C ATOM 753 CD LYS A 49 16.824 -0.129 2.669 1.00 2.07 C ATOM 754 CE LYS A 49 16.434 -0.641 4.046 1.00 2.67 C ATOM 755 NZ LYS A 49 16.790 0.326 5.122 1.00 3.35 N ATOM 0 H LYS A 49 12.526 -1.254 1.186 1.00 0.81 H new ATOM 0 HA LYS A 49 14.449 0.743 1.523 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.564 -1.552 2.436 1.00 0.90 H new ATOM 0 HB3 LYS A 49 14.784 -2.192 0.820 1.00 0.90 H new ATOM 0 HG2 LYS A 49 16.952 -2.092 1.810 1.00 1.34 H new ATOM 0 HG3 LYS A 49 16.889 -0.798 0.630 1.00 1.34 H new ATOM 0 HD2 LYS A 49 17.893 0.081 2.647 1.00 2.07 H new ATOM 0 HD3 LYS A 49 16.310 0.811 2.470 1.00 2.07 H new ATOM 0 HE2 LYS A 49 15.361 -0.833 4.071 1.00 2.67 H new ATOM 0 HE3 LYS A 49 16.932 -1.592 4.234 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 16.507 -0.062 6.045 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.817 0.490 5.115 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 16.295 1.226 4.958 1.00 3.35 H new ATOM 769 N ASP A 50 14.112 -0.407 -1.509 1.00 0.91 N ATOM 770 CA ASP A 50 14.474 -0.209 -2.898 1.00 1.00 C ATOM 771 C ASP A 50 13.674 0.947 -3.497 1.00 1.12 C ATOM 772 O ASP A 50 14.067 1.524 -4.512 1.00 1.28 O ATOM 773 CB ASP A 50 14.234 -1.491 -3.694 1.00 0.94 C ATOM 774 CG ASP A 50 14.986 -1.508 -5.010 1.00 1.38 C ATOM 775 OD1 ASP A 50 14.467 -0.948 -5.998 1.00 1.45 O ATOM 776 OD2 ASP A 50 16.095 -2.082 -5.052 1.00 2.00 O ATOM 0 H ASP A 50 13.319 -1.033 -1.366 1.00 0.91 H new ATOM 0 HA ASP A 50 15.534 0.041 -2.950 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.538 -2.349 -3.095 1.00 0.94 H new ATOM 0 HB3 ASP A 50 13.167 -1.600 -3.888 1.00 0.94 H new ATOM 781 N TYR A 51 12.545 1.283 -2.863 1.00 1.07 N ATOM 782 CA TYR A 51 11.699 2.360 -3.346 1.00 1.22 C ATOM 783 C TYR A 51 12.315 3.709 -3.023 1.00 1.37 C ATOM 784 O TYR A 51 12.733 4.453 -3.909 1.00 1.51 O ATOM 785 CB TYR A 51 10.297 2.319 -2.744 1.00 1.20 C ATOM 786 CG TYR A 51 9.238 1.690 -3.637 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.584 0.896 -4.730 1.00 1.68 C ATOM 788 CD2 TYR A 51 7.884 1.901 -3.391 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.614 0.338 -5.542 1.00 1.87 C ATOM 790 CE2 TYR A 51 6.913 1.343 -4.198 1.00 1.18 C ATOM 791 CZ TYR A 51 7.282 0.565 -5.273 1.00 1.57 C ATOM 792 OH TYR A 51 6.315 0.015 -6.082 1.00 1.77 O ATOM 0 H TYR A 51 12.204 0.822 -2.019 1.00 1.07 H new ATOM 0 HA TYR A 51 11.619 2.222 -4.424 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.336 1.766 -1.805 1.00 1.20 H new ATOM 0 HB3 TYR A 51 9.991 3.337 -2.502 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.626 0.714 -4.946 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.588 2.513 -2.552 1.00 1.11 H new ATOM 0 HE1 TYR A 51 8.900 -0.274 -6.385 1.00 1.87 H new ATOM 0 HE2 TYR A 51 5.868 1.516 -3.987 1.00 1.18 H new ATOM 0 HH TYR A 51 5.661 -0.464 -5.531 1.00 1.77 H new ATOM 802 N GLU A 52 12.365 4.004 -1.725 1.00 1.35 N ATOM 803 CA GLU A 52 12.902 5.266 -1.242 1.00 1.51 C ATOM 804 C GLU A 52 14.413 5.189 -1.059 1.00 1.55 C ATOM 805 O GLU A 52 15.152 6.062 -1.515 1.00 1.70 O ATOM 806 CB GLU A 52 12.236 5.660 0.081 1.00 1.52 C ATOM 807 CG GLU A 52 12.690 4.827 1.270 1.00 1.43 C ATOM 808 CD GLU A 52 11.974 5.203 2.553 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.112 6.364 2.993 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.281 4.333 3.121 1.00 1.20 O ATOM 0 H GLU A 52 12.037 3.379 -0.989 1.00 1.35 H new ATOM 0 HA GLU A 52 12.686 6.027 -1.992 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.446 6.710 0.284 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.155 5.566 -0.025 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.517 3.772 1.057 1.00 1.43 H new ATOM 0 HG3 GLU A 52 13.764 4.952 1.408 1.00 1.43 H new ATOM 817 N ASP A 53 14.862 4.137 -0.388 1.00 1.43 N ATOM 818 CA ASP A 53 16.281 3.936 -0.132 1.00 1.48 C ATOM 819 C ASP A 53 16.996 3.411 -1.374 1.00 1.47 C ATOM 820 O ASP A 53 18.214 3.533 -1.495 1.00 1.59 O ATOM 821 CB ASP A 53 16.465 2.971 1.038 1.00 1.40 C ATOM 822 CG ASP A 53 16.384 3.669 2.382 1.00 1.76 C ATOM 823 OD1 ASP A 53 17.427 4.162 2.859 1.00 1.84 O ATOM 824 OD2 ASP A 53 15.276 3.723 2.957 1.00 2.30 O ATOM 0 H ASP A 53 14.260 3.406 -0.009 1.00 1.43 H new ATOM 0 HA ASP A 53 16.724 4.898 0.125 1.00 1.48 H new ATOM 0 HB2 ASP A 53 15.702 2.195 0.988 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.431 2.474 0.947 1.00 1.40 H new ATOM 829 N GLY A 54 16.234 2.827 -2.293 1.00 1.36 N ATOM 830 CA GLY A 54 16.818 2.307 -3.514 1.00 1.37 C ATOM 831 C GLY A 54 17.017 3.385 -4.559 1.00 1.49 C ATOM 832 O GLY A 54 17.957 3.328 -5.353 1.00 1.61 O ATOM 0 H GLY A 54 15.224 2.705 -2.214 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.778 1.843 -3.286 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.174 1.526 -3.919 1.00 1.37 H new ATOM 836 N LEU A 55 16.127 4.373 -4.559 1.00 1.49 N ATOM 837 CA LEU A 55 16.205 5.473 -5.511 1.00 1.63 C ATOM 838 C LEU A 55 17.288 6.464 -5.094 1.00 1.70 C ATOM 839 O LEU A 55 18.322 6.582 -5.752 1.00 1.78 O ATOM 840 CB LEU A 55 14.850 6.178 -5.616 1.00 1.67 C ATOM 841 CG LEU A 55 14.637 6.998 -6.892 1.00 1.85 C ATOM 842 CD1 LEU A 55 15.728 8.045 -7.046 1.00 2.26 C ATOM 843 CD2 LEU A 55 14.594 6.086 -8.109 1.00 2.34 C ATOM 0 H LEU A 55 15.343 4.433 -3.909 1.00 1.49 H new ATOM 0 HA LEU A 55 16.466 5.069 -6.489 1.00 1.63 H new ATOM 0 HB2 LEU A 55 14.062 5.428 -5.550 1.00 1.67 H new ATOM 0 HB3 LEU A 55 14.734 6.838 -4.756 1.00 1.67 H new ATOM 0 HG LEU A 55 13.680 7.513 -6.813 1.00 1.85 H new ATOM 0 HD11 LEU A 55 15.558 8.616 -7.959 1.00 2.26 H new ATOM 0 HD12 LEU A 55 15.711 8.717 -6.188 1.00 2.26 H new ATOM 0 HD13 LEU A 55 16.699 7.553 -7.102 1.00 2.26 H new ATOM 0 HD21 LEU A 55 14.442 6.685 -9.007 1.00 2.34 H new ATOM 0 HD22 LEU A 55 15.536 5.543 -8.190 1.00 2.34 H new ATOM 0 HD23 LEU A 55 13.774 5.376 -8.003 1.00 2.34 H new ATOM 855 N GLU A 56 17.047 7.173 -3.995 1.00 1.70 N ATOM 856 CA GLU A 56 18.007 8.147 -3.489 1.00 1.80 C ATOM 857 C GLU A 56 18.968 7.497 -2.503 1.00 1.75 C ATOM 858 O GLU A 56 19.102 7.938 -1.362 1.00 1.78 O ATOM 859 CB GLU A 56 17.284 9.318 -2.829 1.00 1.87 C ATOM 860 CG GLU A 56 16.413 10.112 -3.787 1.00 1.94 C ATOM 861 CD GLU A 56 17.217 10.797 -4.874 1.00 2.37 C ATOM 862 OE1 GLU A 56 17.449 10.167 -5.928 1.00 2.95 O ATOM 863 OE2 GLU A 56 17.615 11.964 -4.673 1.00 2.57 O ATOM 0 H GLU A 56 16.196 7.091 -3.439 1.00 1.70 H new ATOM 0 HA GLU A 56 18.584 8.524 -4.333 1.00 1.80 H new ATOM 0 HB2 GLU A 56 16.664 8.940 -2.016 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.022 9.985 -2.384 1.00 1.87 H new ATOM 0 HG2 GLU A 56 15.683 9.445 -4.246 1.00 1.94 H new ATOM 0 HG3 GLU A 56 15.853 10.861 -3.227 1.00 1.94 H new ATOM 870 N TYR A 57 19.633 6.445 -2.959 1.00 1.71 N ATOM 871 CA TYR A 57 20.586 5.717 -2.129 1.00 1.68 C ATOM 872 C TYR A 57 21.893 6.493 -1.995 1.00 1.81 C ATOM 873 O TYR A 57 22.023 7.264 -1.021 1.00 2.23 O ATOM 874 CB TYR A 57 20.856 4.334 -2.726 1.00 1.60 C ATOM 875 CG TYR A 57 21.754 3.469 -1.870 1.00 1.59 C ATOM 876 CD1 TYR A 57 21.241 2.743 -0.803 1.00 1.54 C ATOM 877 CD2 TYR A 57 23.116 3.380 -2.130 1.00 1.67 C ATOM 878 CE1 TYR A 57 22.061 1.952 -0.018 1.00 1.58 C ATOM 879 CE2 TYR A 57 23.941 2.592 -1.351 1.00 1.68 C ATOM 880 CZ TYR A 57 23.403 1.875 -0.296 1.00 1.64 C ATOM 881 OH TYR A 57 24.228 1.096 0.482 1.00 1.69 O ATOM 882 OXT TYR A 57 22.774 6.321 -2.862 1.00 2.06 O ATOM 0 H TYR A 57 19.530 6.074 -3.904 1.00 1.71 H new ATOM 0 HA TYR A 57 20.153 5.598 -1.136 1.00 1.68 H new ATOM 0 HB2 TYR A 57 19.906 3.820 -2.876 1.00 1.60 H new ATOM 0 HB3 TYR A 57 21.311 4.455 -3.709 1.00 1.60 H new ATOM 0 HD1 TYR A 57 20.185 2.797 -0.582 1.00 1.54 H new ATOM 0 HD2 TYR A 57 23.537 3.936 -2.955 1.00 1.67 H new ATOM 0 HE1 TYR A 57 21.647 1.397 0.811 1.00 1.58 H new ATOM 0 HE2 TYR A 57 24.998 2.536 -1.564 1.00 1.68 H new ATOM 0 HH TYR A 57 25.146 1.155 0.145 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -13.060 -11.467 0.420 1.00 5.20 N ATOM 894 CA ALA B 1 -12.716 -10.129 -0.125 1.00 4.69 C ATOM 895 C ALA B 1 -13.527 -9.033 0.560 1.00 3.91 C ATOM 896 O ALA B 1 -14.640 -8.719 0.139 1.00 3.61 O ATOM 897 CB ALA B 1 -12.950 -10.095 -1.628 1.00 4.99 C ATOM 0 H1 ALA B 1 -12.495 -12.194 -0.063 1.00 5.20 H new ATOM 0 H2 ALA B 1 -12.856 -11.490 1.439 1.00 5.20 H new ATOM 0 H3 ALA B 1 -14.071 -11.655 0.265 1.00 5.20 H new ATOM 0 HA ALA B 1 -11.660 -9.944 0.073 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -12.694 -9.108 -2.014 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -12.325 -10.847 -2.111 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -13.999 -10.305 -1.838 1.00 4.99 H new ATOM 905 N PRO B 2 -12.975 -8.434 1.630 1.00 3.99 N ATOM 906 CA PRO B 2 -13.653 -7.368 2.375 1.00 3.65 C ATOM 907 C PRO B 2 -14.132 -6.239 1.466 1.00 2.77 C ATOM 908 O PRO B 2 -13.542 -5.987 0.416 1.00 2.79 O ATOM 909 CB PRO B 2 -12.574 -6.863 3.335 1.00 4.44 C ATOM 910 CG PRO B 2 -11.652 -8.019 3.511 1.00 5.12 C ATOM 911 CD PRO B 2 -11.649 -8.746 2.195 1.00 4.90 C ATOM 0 HA PRO B 2 -14.551 -7.729 2.876 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -12.052 -5.999 2.924 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -13.005 -6.552 4.287 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -10.649 -7.683 3.774 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -11.991 -8.670 4.317 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -10.844 -8.400 1.546 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -11.511 -9.819 2.329 1.00 4.90 H new ATOM 919 N PRO B 3 -15.213 -5.546 1.860 1.00 2.55 N ATOM 920 CA PRO B 3 -15.772 -4.443 1.080 1.00 2.38 C ATOM 921 C PRO B 3 -15.050 -3.124 1.334 1.00 2.11 C ATOM 922 O PRO B 3 -15.653 -2.152 1.793 1.00 2.74 O ATOM 923 CB PRO B 3 -17.209 -4.373 1.584 1.00 3.12 C ATOM 924 CG PRO B 3 -17.125 -4.803 3.010 1.00 3.56 C ATOM 925 CD PRO B 3 -15.983 -5.788 3.096 1.00 3.22 C ATOM 0 HA PRO B 3 -15.682 -4.606 0.006 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -17.612 -3.364 1.497 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -17.864 -5.028 1.010 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -16.950 -3.948 3.663 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -18.059 -5.263 3.332 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -15.375 -5.619 3.985 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -16.344 -6.815 3.147 1.00 3.22 H new ATOM 933 N GLY B 4 -13.756 -3.096 1.035 1.00 1.73 N ATOM 934 CA GLY B 4 -12.971 -1.892 1.238 1.00 1.69 C ATOM 935 C GLY B 4 -11.482 -2.174 1.256 1.00 1.53 C ATOM 936 O GLY B 4 -10.757 -1.681 2.120 1.00 2.11 O ATOM 0 H GLY B 4 -13.236 -3.887 0.655 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -13.194 -1.177 0.446 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -13.262 -1.425 2.179 1.00 1.69 H new ATOM 940 N THR B 5 -11.027 -2.965 0.293 1.00 1.20 N ATOM 941 CA THR B 5 -9.616 -3.322 0.196 1.00 1.17 C ATOM 942 C THR B 5 -9.203 -3.585 -1.249 1.00 1.11 C ATOM 943 O THR B 5 -10.045 -3.826 -2.116 1.00 1.30 O ATOM 944 CB THR B 5 -9.291 -4.562 1.049 1.00 1.49 C ATOM 945 OG1 THR B 5 -9.473 -6.355 1.804 1.00 1.85 O ATOM 946 CG2 THR B 5 -7.989 -6.144 -0.090 1.00 1.82 C ATOM 0 H THR B 5 -11.615 -3.373 -0.434 1.00 1.20 H new ATOM 0 HA THR B 5 -9.052 -2.470 0.576 1.00 1.17 H new ATOM 0 HB THR B 5 -9.551 -3.748 1.725 1.00 1.49 H new ATOM 0 HG1 THR B 5 -8.727 -6.530 2.415 1.00 1.85 H new ATOM 0 HG21 THR B 5 -7.794 -6.994 0.564 1.00 1.82 H new ATOM 0 HG22 THR B 5 -8.523 -6.484 -0.977 1.00 1.82 H new ATOM 0 HG23 THR B 5 -7.043 -5.691 -0.387 1.00 1.82 H new ATOM 954 N ALA B 6 -7.899 -3.534 -1.498 1.00 1.15 N ATOM 955 CA ALA B 6 -7.355 -3.762 -2.829 1.00 1.27 C ATOM 956 C ALA B 6 -5.832 -3.863 -2.782 1.00 1.57 C ATOM 957 O ALA B 6 -5.140 -3.281 -3.617 1.00 1.86 O ATOM 958 CB ALA B 6 -7.786 -2.650 -3.774 1.00 1.16 C ATOM 0 H ALA B 6 -7.195 -3.335 -0.788 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.747 -4.708 -3.202 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.372 -2.834 -4.765 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.874 -2.625 -3.834 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -7.421 -1.693 -3.400 1.00 1.16 H new ATOM 964 N ARG B 7 -5.319 -4.600 -1.793 1.00 2.16 N ATOM 965 CA ARG B 7 -3.874 -4.789 -1.618 1.00 2.49 C ATOM 966 C ARG B 7 -3.158 -4.938 -2.960 1.00 1.97 C ATOM 967 O ARG B 7 -3.633 -5.662 -3.835 1.00 2.16 O ATOM 968 CB ARG B 7 -3.617 -6.030 -0.762 1.00 3.50 C ATOM 969 CG ARG B 7 -4.317 -7.274 -1.281 1.00 4.23 C ATOM 970 CD ARG B 7 -4.036 -8.482 -0.404 1.00 5.24 C ATOM 971 NE ARG B 7 -4.497 -8.282 0.967 1.00 5.78 N ATOM 972 CZ ARG B 7 -4.719 -9.275 1.822 1.00 6.67 C ATOM 973 NH1 ARG B 7 -4.528 -10.532 1.445 1.00 7.13 N ATOM 974 NH2 ARG B 7 -5.136 -9.013 3.053 1.00 7.29 N ATOM 0 H ARG B 7 -5.888 -5.080 -1.095 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.479 -3.903 -1.121 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -2.544 -6.217 -0.719 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -3.948 -5.834 0.258 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -5.392 -7.096 -1.323 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -3.988 -7.479 -2.300 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -4.526 -9.359 -0.827 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -2.965 -8.686 -0.400 1.00 5.24 H new ATOM 0 HE ARG B 7 -4.658 -7.327 1.286 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -4.210 -10.738 0.498 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -4.699 -11.293 2.102 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -5.287 -8.048 3.346 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -5.306 -9.777 3.707 1.00 7.29 H new ATOM 988 N ARG B 8 -2.021 -4.250 -3.134 1.00 1.65 N ATOM 989 CA ARG B 8 -1.268 -4.341 -4.390 1.00 1.81 C ATOM 990 C ARG B 8 -1.177 -5.794 -4.857 1.00 2.34 C ATOM 991 O ARG B 8 -1.371 -6.092 -6.035 1.00 3.35 O ATOM 992 CB ARG B 8 0.135 -3.756 -4.225 1.00 2.17 C ATOM 993 CG ARG B 8 0.936 -3.721 -5.517 1.00 2.70 C ATOM 994 CD ARG B 8 0.207 -2.951 -6.606 1.00 3.52 C ATOM 995 NE ARG B 8 0.957 -2.932 -7.859 1.00 4.36 N ATOM 996 CZ ARG B 8 0.665 -2.131 -8.878 1.00 5.31 C ATOM 997 NH1 ARG B 8 -0.353 -1.287 -8.791 1.00 5.56 N ATOM 998 NH2 ARG B 8 1.395 -2.173 -9.986 1.00 6.23 N ATOM 0 H ARG B 8 -1.609 -3.634 -2.433 1.00 1.65 H new ATOM 0 HA ARG B 8 -1.800 -3.761 -5.145 1.00 1.81 H new ATOM 0 HB2 ARG B 8 0.053 -2.743 -3.831 1.00 2.17 H new ATOM 0 HB3 ARG B 8 0.680 -4.343 -3.485 1.00 2.17 H new ATOM 0 HG2 ARG B 8 1.906 -3.260 -5.332 1.00 2.70 H new ATOM 0 HG3 ARG B 8 1.126 -4.739 -5.856 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -0.771 -3.402 -6.776 1.00 3.52 H new ATOM 0 HD3 ARG B 8 0.033 -1.928 -6.272 1.00 3.52 H new ATOM 0 HE ARG B 8 1.748 -3.568 -7.957 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -0.915 -1.251 -7.940 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -0.575 -0.673 -9.575 1.00 5.56 H new ATOM 0 HH21 ARG B 8 2.180 -2.820 -10.055 1.00 6.23 H new ATOM 0 HH22 ARG B 8 1.171 -1.558 -10.768 1.00 6.23 H new ATOM 1012 N LYS B 9 -0.880 -6.684 -3.906 1.00 1.97 N ATOM 1013 CA LYS B 9 -0.788 -8.145 -4.178 1.00 2.57 C ATOM 1014 C LYS B 9 0.587 -8.552 -4.695 1.00 1.88 C ATOM 1015 O LYS B 9 0.947 -9.728 -4.631 1.00 1.98 O ATOM 1016 CB LYS B 9 -1.856 -8.578 -5.184 1.00 3.57 C ATOM 1017 CG LYS B 9 -2.055 -10.085 -5.241 1.00 4.55 C ATOM 1018 CD LYS B 9 -3.089 -10.473 -6.286 1.00 5.55 C ATOM 1019 CE LYS B 9 -3.328 -11.974 -6.300 1.00 6.48 C ATOM 1020 NZ LYS B 9 -4.354 -12.366 -7.306 1.00 7.18 N ATOM 0 H LYS B 9 -0.697 -6.430 -2.935 1.00 1.97 H new ATOM 0 HA LYS B 9 -0.954 -8.649 -3.226 1.00 2.57 H new ATOM 0 HB2 LYS B 9 -2.802 -8.103 -4.925 1.00 3.57 H new ATOM 0 HB3 LYS B 9 -1.579 -8.218 -6.175 1.00 3.57 H new ATOM 0 HG2 LYS B 9 -1.106 -10.570 -5.470 1.00 4.55 H new ATOM 0 HG3 LYS B 9 -2.371 -10.448 -4.263 1.00 4.55 H new ATOM 0 HD2 LYS B 9 -4.026 -9.956 -6.082 1.00 5.55 H new ATOM 0 HD3 LYS B 9 -2.753 -10.147 -7.271 1.00 5.55 H new ATOM 0 HE2 LYS B 9 -2.392 -12.488 -6.518 1.00 6.48 H new ATOM 0 HE3 LYS B 9 -3.648 -12.299 -5.310 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 -4.487 -13.397 -7.283 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 -5.255 -11.896 -7.084 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 -4.038 -12.079 -8.254 1.00 7.18 H new ATOM 1034 N ARG B 10 1.362 -7.599 -5.207 1.00 1.72 N ATOM 1035 CA ARG B 10 2.693 -7.914 -5.719 1.00 1.51 C ATOM 1036 C ARG B 10 3.478 -8.713 -4.684 1.00 1.39 C ATOM 1037 O ARG B 10 4.305 -9.557 -5.029 1.00 1.77 O ATOM 1038 CB ARG B 10 3.454 -6.637 -6.089 1.00 1.88 C ATOM 1039 CG ARG B 10 3.929 -5.842 -4.887 1.00 2.02 C ATOM 1040 CD ARG B 10 4.856 -4.711 -5.300 1.00 2.74 C ATOM 1041 NE ARG B 10 6.126 -5.213 -5.819 1.00 2.98 N ATOM 1042 CZ ARG B 10 7.062 -4.439 -6.358 1.00 3.73 C ATOM 1043 NH1 ARG B 10 6.867 -3.132 -6.458 1.00 4.23 N ATOM 1044 NH2 ARG B 10 8.192 -4.972 -6.799 1.00 4.33 N ATOM 0 H ARG B 10 1.097 -6.617 -5.278 1.00 1.72 H new ATOM 0 HA ARG B 10 2.578 -8.515 -6.621 1.00 1.51 H new ATOM 0 HB2 ARG B 10 4.315 -6.902 -6.702 1.00 1.88 H new ATOM 0 HB3 ARG B 10 2.810 -6.005 -6.701 1.00 1.88 H new ATOM 0 HG2 ARG B 10 3.069 -5.434 -4.356 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.447 -6.504 -4.193 1.00 2.02 H new ATOM 0 HD2 ARG B 10 4.368 -4.101 -6.060 1.00 2.74 H new ATOM 0 HD3 ARG B 10 5.044 -4.064 -4.443 1.00 2.74 H new ATOM 0 HE ARG B 10 6.305 -6.216 -5.764 1.00 2.98 H new ATOM 0 HH11 ARG B 10 5.997 -2.719 -6.121 1.00 4.23 H new ATOM 0 HH12 ARG B 10 7.586 -2.539 -6.872 1.00 4.23 H new ATOM 0 HH21 ARG B 10 8.344 -5.978 -6.725 1.00 4.33 H new ATOM 0 HH22 ARG B 10 8.909 -4.376 -7.213 1.00 4.33 H new ATOM 1058 N LYS B 11 3.201 -8.439 -3.409 1.00 1.29 N ATOM 1059 CA LYS B 11 3.854 -9.132 -2.298 1.00 1.35 C ATOM 1060 C LYS B 11 5.333 -9.386 -2.574 1.00 1.21 C ATOM 1061 O LYS B 11 5.809 -10.518 -2.482 1.00 1.55 O ATOM 1062 CB LYS B 11 3.152 -10.459 -2.025 1.00 1.85 C ATOM 1063 CG LYS B 11 3.208 -11.421 -3.201 1.00 2.93 C ATOM 1064 CD LYS B 11 2.947 -12.849 -2.762 1.00 3.41 C ATOM 1065 CE LYS B 11 1.486 -13.067 -2.403 1.00 4.24 C ATOM 1066 NZ LYS B 11 1.224 -14.473 -1.990 1.00 4.49 N ATOM 0 H LYS B 11 2.522 -7.735 -3.118 1.00 1.29 H new ATOM 0 HA LYS B 11 3.782 -8.486 -1.423 1.00 1.35 H new ATOM 0 HB2 LYS B 11 3.609 -10.932 -1.156 1.00 1.85 H new ATOM 0 HB3 LYS B 11 2.110 -10.266 -1.772 1.00 1.85 H new ATOM 0 HG2 LYS B 11 2.470 -11.128 -3.948 1.00 2.93 H new ATOM 0 HG3 LYS B 11 4.186 -11.359 -3.678 1.00 2.93 H new ATOM 0 HD2 LYS B 11 3.232 -13.533 -3.561 1.00 3.41 H new ATOM 0 HD3 LYS B 11 3.573 -13.086 -1.901 1.00 3.41 H new ATOM 0 HE2 LYS B 11 1.205 -12.392 -1.594 1.00 4.24 H new ATOM 0 HE3 LYS B 11 0.860 -12.817 -3.259 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 0.217 -14.583 -1.753 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 1.468 -15.115 -2.771 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 1.803 -14.704 -1.158 1.00 4.49 H new ATOM 1080 N ALA B 12 6.054 -8.326 -2.910 1.00 0.95 N ATOM 1081 CA ALA B 12 7.478 -8.430 -3.202 1.00 1.15 C ATOM 1082 C ALA B 12 8.195 -9.221 -2.116 1.00 1.48 C ATOM 1083 O ALA B 12 9.214 -9.864 -2.364 1.00 2.05 O ATOM 1084 CB ALA B 12 8.089 -7.049 -3.331 1.00 1.09 C ATOM 0 H ALA B 12 5.676 -7.382 -2.988 1.00 0.95 H new ATOM 0 HA ALA B 12 7.596 -8.959 -4.148 1.00 1.15 H new ATOM 0 HB1 ALA B 12 9.153 -7.141 -3.549 1.00 1.09 H new ATOM 0 HB2 ALA B 12 7.598 -6.508 -4.140 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.956 -6.504 -2.397 1.00 1.09 H new ATOM 1090 N ASP B 13 7.648 -9.161 -0.908 1.00 1.42 N ATOM 1091 CA ASP B 13 8.218 -9.867 0.228 1.00 1.79 C ATOM 1092 C ASP B 13 7.301 -11.003 0.669 1.00 1.88 C ATOM 1093 O ASP B 13 6.926 -11.097 1.837 1.00 2.28 O ATOM 1094 CB ASP B 13 8.455 -8.899 1.388 1.00 2.20 C ATOM 1095 CG ASP B 13 9.000 -9.602 2.617 1.00 3.02 C ATOM 1096 OD1 ASP B 13 10.224 -9.841 2.671 1.00 3.80 O ATOM 1097 OD2 ASP B 13 8.202 -9.914 3.525 1.00 3.28 O ATOM 0 H ASP B 13 6.806 -8.627 -0.691 1.00 1.42 H new ATOM 0 HA ASP B 13 9.174 -10.293 -0.076 1.00 1.79 H new ATOM 0 HB2 ASP B 13 9.154 -8.123 1.075 1.00 2.20 H new ATOM 0 HB3 ASP B 13 7.519 -8.401 1.641 1.00 2.20 H new ATOM 1102 N SER B 14 6.942 -11.861 -0.278 1.00 2.21 N ATOM 1103 CA SER B 14 6.066 -12.990 0.004 1.00 2.81 C ATOM 1104 C SER B 14 6.631 -13.853 1.129 1.00 3.10 C ATOM 1105 O SER B 14 6.307 -13.579 2.304 1.00 3.52 O ATOM 1106 CB SER B 14 5.871 -13.836 -1.254 1.00 3.34 C ATOM 1107 OG SER B 14 4.958 -14.895 -1.022 1.00 3.91 O ATOM 1108 OXT SER B 14 7.391 -14.797 0.826 1.00 3.46 O ATOM 0 H SER B 14 7.245 -11.796 -1.250 1.00 2.21 H new ATOM 0 HA SER B 14 5.101 -12.597 0.324 1.00 2.81 H new ATOM 0 HB2 SER B 14 5.504 -13.207 -2.065 1.00 3.34 H new ATOM 0 HB3 SER B 14 6.830 -14.243 -1.574 1.00 3.34 H new ATOM 0 HG SER B 14 4.850 -15.420 -1.843 1.00 3.91 H new TER 1114 SER B 14