USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 531 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 2 LYS NZ :NH3+ -159:sc= -0.944 (180deg=-2.24) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 94:sc= 0.321 USER MOD Single : A 12 GLN : amide:sc= -0.535 K(o=-0.53,f=1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 23 ASN : amide:sc= -5.98! C(o=-6!,f=-8.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -97:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= -0.592 X(o=-0.59,f=-0.82) USER MOD Single : A 33 GLN : amide:sc= -2.97 K(o=-3,f=-0.35!) USER MOD Single : A 35 SER OG : rot 9:sc= -0.0377! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0736 X(o=-0.074,f=-0.37) USER MOD Single : A 44 GLN : amide:sc= -6.28 K(o=-6.3,f=-3) USER MOD Single : A 46 LYS NZ :NH3+ -104:sc= -0.792 (180deg=-3.82!) USER MOD Single : A 50 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.0131 X(o=0.013,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -4:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 20.672 8.660 23.019 1.00 0.00 N ATOM 2 CA GLY A -1 19.457 7.911 22.594 1.00 0.00 C ATOM 3 C GLY A -1 18.719 7.288 23.764 1.00 0.00 C ATOM 4 O GLY A -1 19.212 6.348 24.385 1.00 0.00 O ATOM 0 H1 GLY A -1 21.140 9.066 22.183 1.00 0.00 H new ATOM 0 H2 GLY A -1 20.399 9.425 23.669 1.00 0.00 H new ATOM 0 H3 GLY A -1 21.327 8.013 23.502 1.00 0.00 H new ATOM 0 HA2 GLY A -1 18.786 8.586 22.063 1.00 0.00 H new ATOM 0 HA3 GLY A -1 19.744 7.129 21.891 1.00 0.00 H new ATOM 10 N ASP A 0 17.537 7.814 24.062 1.00 0.00 N ATOM 11 CA ASP A 0 16.729 7.304 25.165 1.00 0.00 C ATOM 12 C ASP A 0 15.376 8.006 25.219 1.00 0.00 C ATOM 13 O ASP A 0 15.286 9.218 25.023 1.00 0.00 O ATOM 14 CB ASP A 0 17.467 7.489 26.493 1.00 0.00 C ATOM 15 CG ASP A 0 18.198 6.235 26.929 1.00 0.00 C ATOM 16 OD1 ASP A 0 17.544 5.177 27.049 1.00 0.00 O ATOM 17 OD2 ASP A 0 19.425 6.309 27.147 1.00 0.00 O ATOM 0 H ASP A 0 17.116 8.593 23.556 1.00 0.00 H new ATOM 0 HA ASP A 0 16.559 6.241 24.997 1.00 0.00 H new ATOM 0 HB2 ASP A 0 18.181 8.307 26.398 1.00 0.00 H new ATOM 0 HB3 ASP A 0 16.753 7.777 27.265 1.00 0.00 H new ATOM 22 N GLU A 1 14.326 7.236 25.486 1.00 0.00 N ATOM 23 CA GLU A 1 12.977 7.782 25.569 1.00 0.00 C ATOM 24 C GLU A 1 11.976 6.701 25.958 1.00 0.00 C ATOM 25 O GLU A 1 10.882 6.618 25.398 1.00 0.00 O ATOM 26 CB GLU A 1 12.574 8.415 24.235 1.00 0.00 C ATOM 27 CG GLU A 1 11.373 9.342 24.339 1.00 0.00 C ATOM 28 CD GLU A 1 11.066 10.045 23.032 1.00 0.00 C ATOM 29 OE1 GLU A 1 10.971 9.356 21.994 1.00 0.00 O ATOM 30 OE2 GLU A 1 10.920 11.286 23.045 1.00 0.00 O ATOM 0 H GLU A 1 14.384 6.231 25.649 1.00 0.00 H new ATOM 0 HA GLU A 1 12.971 8.551 26.341 1.00 0.00 H new ATOM 0 HB2 GLU A 1 13.421 8.974 23.837 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.351 7.624 23.520 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.501 8.768 24.652 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.559 10.087 25.113 1.00 0.00 H new ATOM 37 N LYS A 2 12.361 5.878 26.924 1.00 0.00 N ATOM 38 CA LYS A 2 11.504 4.799 27.399 1.00 0.00 C ATOM 39 C LYS A 2 11.196 3.816 26.275 1.00 0.00 C ATOM 40 O LYS A 2 10.049 3.406 26.087 1.00 0.00 O ATOM 41 CB LYS A 2 10.207 5.368 27.981 1.00 0.00 C ATOM 42 CG LYS A 2 10.212 5.462 29.498 1.00 0.00 C ATOM 43 CD LYS A 2 9.027 4.730 30.109 1.00 0.00 C ATOM 44 CE LYS A 2 9.298 3.240 30.234 1.00 0.00 C ATOM 45 NZ LYS A 2 9.391 2.578 28.903 1.00 0.00 N ATOM 0 H LYS A 2 13.264 5.937 27.395 1.00 0.00 H new ATOM 0 HA LYS A 2 12.035 4.261 28.185 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.036 6.361 27.564 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.372 4.742 27.667 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.140 5.041 29.886 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.187 6.510 29.798 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.809 5.145 31.093 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.142 4.890 29.493 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.227 3.085 30.782 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.503 2.774 30.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.220 1.558 29.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.678 2.983 28.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.340 2.730 28.505 1.00 0.00 H new ATOM 59 N ARG A 3 12.227 3.437 25.531 1.00 0.00 N ATOM 60 CA ARG A 3 12.067 2.498 24.427 1.00 0.00 C ATOM 61 C ARG A 3 12.755 1.168 24.738 1.00 0.00 C ATOM 62 O ARG A 3 13.893 1.143 25.205 1.00 0.00 O ATOM 63 CB ARG A 3 12.630 3.090 23.132 1.00 0.00 C ATOM 64 CG ARG A 3 14.112 3.424 23.203 1.00 0.00 C ATOM 65 CD ARG A 3 14.337 4.874 23.599 1.00 0.00 C ATOM 66 NE ARG A 3 14.738 5.697 22.461 1.00 0.00 N ATOM 67 CZ ARG A 3 15.966 5.702 21.947 1.00 0.00 C ATOM 68 NH1 ARG A 3 16.914 4.930 22.464 1.00 0.00 N ATOM 69 NH2 ARG A 3 16.247 6.481 20.911 1.00 0.00 N ATOM 0 H ARG A 3 13.183 3.765 25.671 1.00 0.00 H new ATOM 0 HA ARG A 3 11.001 2.313 24.295 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.465 2.383 22.319 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.075 3.995 22.886 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.600 2.769 23.925 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.576 3.234 22.235 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.422 5.277 24.033 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.105 4.924 24.371 1.00 0.00 H new ATOM 0 HE ARG A 3 14.037 6.303 22.035 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.704 4.328 23.260 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.853 4.939 22.065 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.522 7.076 20.509 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.188 6.485 20.517 1.00 0.00 H new ATOM 83 N PRO A 4 12.068 0.039 24.485 1.00 0.00 N ATOM 84 CA PRO A 4 12.615 -1.291 24.742 1.00 0.00 C ATOM 85 C PRO A 4 13.470 -1.801 23.587 1.00 0.00 C ATOM 86 O PRO A 4 13.819 -1.047 22.679 1.00 0.00 O ATOM 87 CB PRO A 4 11.358 -2.140 24.894 1.00 0.00 C ATOM 88 CG PRO A 4 10.360 -1.502 23.987 1.00 0.00 C ATOM 89 CD PRO A 4 10.701 -0.032 23.932 1.00 0.00 C ATOM 0 HA PRO A 4 13.278 -1.311 25.607 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.544 -3.177 24.613 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.007 -2.148 25.926 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.401 -1.946 22.993 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.347 -1.651 24.361 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.663 0.348 22.911 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.001 0.562 24.520 1.00 0.00 H new ATOM 97 N ARG A 5 13.802 -3.087 23.627 1.00 0.00 N ATOM 98 CA ARG A 5 14.614 -3.700 22.584 1.00 0.00 C ATOM 99 C ARG A 5 14.124 -5.111 22.276 1.00 0.00 C ATOM 100 O ARG A 5 14.913 -6.052 22.189 1.00 0.00 O ATOM 101 CB ARG A 5 16.085 -3.735 23.004 1.00 0.00 C ATOM 102 CG ARG A 5 16.790 -2.395 22.861 1.00 0.00 C ATOM 103 CD ARG A 5 18.276 -2.574 22.592 1.00 0.00 C ATOM 104 NE ARG A 5 18.845 -1.432 21.878 1.00 0.00 N ATOM 105 CZ ARG A 5 19.144 -0.270 22.457 1.00 0.00 C ATOM 106 NH1 ARG A 5 18.930 -0.092 23.754 1.00 0.00 N ATOM 107 NH2 ARG A 5 19.659 0.715 21.734 1.00 0.00 N ATOM 0 H ARG A 5 13.521 -3.725 24.372 1.00 0.00 H new ATOM 0 HA ARG A 5 14.519 -3.096 21.681 1.00 0.00 H new ATOM 0 HB2 ARG A 5 16.150 -4.062 24.042 1.00 0.00 H new ATOM 0 HB3 ARG A 5 16.609 -4.478 22.402 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.337 -1.829 22.047 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.651 -1.811 23.771 1.00 0.00 H new ATOM 0 HD2 ARG A 5 18.802 -2.709 23.537 1.00 0.00 H new ATOM 0 HD3 ARG A 5 18.432 -3.481 22.008 1.00 0.00 H new ATOM 0 HE ARG A 5 19.023 -1.531 20.879 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.534 -0.847 24.314 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.161 0.800 24.191 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.826 0.582 20.736 1.00 0.00 H new ATOM 0 HH22 ARG A 5 19.889 1.605 22.175 1.00 0.00 H new ATOM 121 N THR A 6 12.812 -5.251 22.111 1.00 0.00 N ATOM 122 CA THR A 6 12.211 -6.545 21.813 1.00 0.00 C ATOM 123 C THR A 6 11.017 -6.386 20.874 1.00 0.00 C ATOM 124 O THR A 6 10.935 -7.050 19.841 1.00 0.00 O ATOM 125 CB THR A 6 11.771 -7.235 23.106 1.00 0.00 C ATOM 126 OG1 THR A 6 11.624 -8.630 22.907 1.00 0.00 O ATOM 127 CG2 THR A 6 10.459 -6.707 23.641 1.00 0.00 C ATOM 0 H THR A 6 12.145 -4.483 22.179 1.00 0.00 H new ATOM 0 HA THR A 6 12.960 -7.162 21.317 1.00 0.00 H new ATOM 0 HB THR A 6 12.556 -7.023 23.831 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.344 -9.052 23.746 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.201 -7.236 24.559 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.554 -5.642 23.851 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.675 -6.863 22.900 1.00 0.00 H new ATOM 135 N ALA A 7 10.096 -5.492 21.235 1.00 0.00 N ATOM 136 CA ALA A 7 8.922 -5.242 20.418 1.00 0.00 C ATOM 137 C ALA A 7 9.355 -4.668 19.088 1.00 0.00 C ATOM 138 O ALA A 7 8.692 -4.848 18.067 1.00 0.00 O ATOM 139 CB ALA A 7 7.966 -4.296 21.129 1.00 0.00 C ATOM 0 H ALA A 7 10.145 -4.933 22.087 1.00 0.00 H new ATOM 0 HA ALA A 7 8.394 -6.180 20.248 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.093 -4.121 20.501 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.651 -4.739 22.073 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.469 -3.349 21.323 1.00 0.00 H new ATOM 145 N PHE A 8 10.494 -3.987 19.113 1.00 0.00 N ATOM 146 CA PHE A 8 11.053 -3.394 17.921 1.00 0.00 C ATOM 147 C PHE A 8 12.376 -2.698 18.227 1.00 0.00 C ATOM 148 O PHE A 8 12.403 -1.644 18.863 1.00 0.00 O ATOM 149 CB PHE A 8 10.065 -2.411 17.284 1.00 0.00 C ATOM 150 CG PHE A 8 9.767 -1.189 18.114 1.00 0.00 C ATOM 151 CD1 PHE A 8 9.798 -1.232 19.502 1.00 0.00 C ATOM 152 CD2 PHE A 8 9.450 0.009 17.494 1.00 0.00 C ATOM 153 CE1 PHE A 8 9.520 -0.104 20.250 1.00 0.00 C ATOM 154 CE2 PHE A 8 9.170 1.138 18.237 1.00 0.00 C ATOM 155 CZ PHE A 8 9.206 1.083 19.617 1.00 0.00 C ATOM 0 H PHE A 8 11.047 -3.835 19.957 1.00 0.00 H new ATOM 0 HA PHE A 8 11.245 -4.196 17.208 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.462 -2.091 16.321 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.130 -2.935 17.085 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.042 -2.158 20.002 1.00 0.00 H new ATOM 0 HD2 PHE A 8 9.422 0.060 16.416 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.548 -0.150 21.329 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.923 2.064 17.740 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.989 1.966 20.200 1.00 0.00 H new ATOM 165 N SER A 9 13.473 -3.300 17.777 1.00 0.00 N ATOM 166 CA SER A 9 14.798 -2.738 18.013 1.00 0.00 C ATOM 167 C SER A 9 15.343 -2.048 16.767 1.00 0.00 C ATOM 168 O SER A 9 16.519 -2.191 16.434 1.00 0.00 O ATOM 169 CB SER A 9 15.764 -3.833 18.473 1.00 0.00 C ATOM 170 OG SER A 9 16.007 -4.768 17.435 1.00 0.00 O ATOM 0 H SER A 9 13.471 -4.173 17.249 1.00 0.00 H new ATOM 0 HA SER A 9 14.706 -1.988 18.798 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.705 -3.383 18.789 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.350 -4.347 19.340 1.00 0.00 H new ATOM 0 HG SER A 9 16.628 -5.456 17.753 1.00 0.00 H new ATOM 176 N SER A 10 14.469 -1.297 16.093 1.00 0.00 N ATOM 177 CA SER A 10 14.818 -0.552 14.874 1.00 0.00 C ATOM 178 C SER A 10 14.427 -1.329 13.628 1.00 0.00 C ATOM 179 O SER A 10 14.120 -0.749 12.586 1.00 0.00 O ATOM 180 CB SER A 10 16.313 -0.241 14.818 1.00 0.00 C ATOM 181 OG SER A 10 16.785 0.243 16.064 1.00 0.00 O ATOM 0 H SER A 10 13.495 -1.186 16.376 1.00 0.00 H new ATOM 0 HA SER A 10 14.262 0.385 14.906 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.864 -1.140 14.542 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.504 0.500 14.042 1.00 0.00 H new ATOM 0 HG SER A 10 17.137 -0.503 16.593 1.00 0.00 H new ATOM 187 N GLU A 11 14.456 -2.644 13.744 1.00 0.00 N ATOM 188 CA GLU A 11 14.122 -3.524 12.627 1.00 0.00 C ATOM 189 C GLU A 11 12.613 -3.601 12.394 1.00 0.00 C ATOM 190 O GLU A 11 12.166 -3.967 11.307 1.00 0.00 O ATOM 191 CB GLU A 11 14.686 -4.927 12.873 1.00 0.00 C ATOM 192 CG GLU A 11 15.918 -5.241 12.043 1.00 0.00 C ATOM 193 CD GLU A 11 17.130 -4.436 12.468 1.00 0.00 C ATOM 194 OE1 GLU A 11 17.496 -4.499 13.661 1.00 0.00 O ATOM 195 OE2 GLU A 11 17.714 -3.741 11.609 1.00 0.00 O ATOM 0 H GLU A 11 14.708 -3.133 14.603 1.00 0.00 H new ATOM 0 HA GLU A 11 14.575 -3.102 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.934 -5.030 13.929 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.913 -5.664 12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.146 -6.304 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.704 -5.041 10.993 1.00 0.00 H new ATOM 202 N GLN A 12 11.831 -3.259 13.412 1.00 0.00 N ATOM 203 CA GLN A 12 10.376 -3.298 13.299 1.00 0.00 C ATOM 204 C GLN A 12 9.803 -1.916 12.995 1.00 0.00 C ATOM 205 O GLN A 12 8.589 -1.748 12.878 1.00 0.00 O ATOM 206 CB GLN A 12 9.757 -3.859 14.579 1.00 0.00 C ATOM 207 CG GLN A 12 9.160 -5.244 14.392 1.00 0.00 C ATOM 208 CD GLN A 12 7.695 -5.308 14.780 1.00 0.00 C ATOM 209 OE1 GLN A 12 7.357 -5.453 15.955 1.00 0.00 O ATOM 210 NE2 GLN A 12 6.816 -5.202 13.790 1.00 0.00 N ATOM 0 H GLN A 12 12.177 -2.953 14.321 1.00 0.00 H new ATOM 0 HA GLN A 12 10.124 -3.955 12.467 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.519 -3.900 15.357 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.980 -3.179 14.929 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.269 -5.544 13.350 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.722 -5.961 14.991 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.141 -5.083 12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.816 -5.240 13.989 1.00 0.00 H new ATOM 219 N LEU A 13 10.685 -0.934 12.852 1.00 0.00 N ATOM 220 CA LEU A 13 10.276 0.430 12.543 1.00 0.00 C ATOM 221 C LEU A 13 10.912 0.870 11.232 1.00 0.00 C ATOM 222 O LEU A 13 10.346 1.673 10.492 1.00 0.00 O ATOM 223 CB LEU A 13 10.651 1.397 13.677 1.00 0.00 C ATOM 224 CG LEU A 13 11.857 0.995 14.535 1.00 0.00 C ATOM 225 CD1 LEU A 13 12.154 2.069 15.568 1.00 0.00 C ATOM 226 CD2 LEU A 13 11.614 -0.334 15.230 1.00 0.00 C ATOM 0 H LEU A 13 11.693 -1.058 12.946 1.00 0.00 H new ATOM 0 HA LEU A 13 9.191 0.450 12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.851 2.376 13.241 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.787 1.510 14.331 1.00 0.00 H new ATOM 0 HG LEU A 13 12.717 0.887 13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.012 1.769 16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.376 3.009 15.062 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.287 2.201 16.215 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.485 -0.595 15.831 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.739 -0.253 15.875 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.444 -1.109 14.483 1.00 0.00 H new ATOM 238 N ALA A 14 12.085 0.311 10.940 1.00 0.00 N ATOM 239 CA ALA A 14 12.794 0.615 9.710 1.00 0.00 C ATOM 240 C ALA A 14 12.158 -0.129 8.542 1.00 0.00 C ATOM 241 O ALA A 14 12.188 0.338 7.403 1.00 0.00 O ATOM 242 CB ALA A 14 14.263 0.240 9.843 1.00 0.00 C ATOM 0 H ALA A 14 12.562 -0.357 11.545 1.00 0.00 H new ATOM 0 HA ALA A 14 12.726 1.686 9.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.784 0.473 8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 14 14.710 0.805 10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.349 -0.827 10.049 1.00 0.00 H new ATOM 248 N ARG A 15 11.573 -1.290 8.838 1.00 0.00 N ATOM 249 CA ARG A 15 10.919 -2.098 7.815 1.00 0.00 C ATOM 250 C ARG A 15 9.423 -1.796 7.762 1.00 0.00 C ATOM 251 O ARG A 15 8.777 -1.986 6.732 1.00 0.00 O ATOM 252 CB ARG A 15 11.143 -3.586 8.090 1.00 0.00 C ATOM 253 CG ARG A 15 11.377 -4.409 6.833 1.00 0.00 C ATOM 254 CD ARG A 15 10.290 -5.454 6.635 1.00 0.00 C ATOM 255 NE ARG A 15 10.752 -6.576 5.821 1.00 0.00 N ATOM 256 CZ ARG A 15 9.938 -7.428 5.203 1.00 0.00 C ATOM 257 NH1 ARG A 15 8.622 -7.293 5.305 1.00 0.00 N ATOM 258 NH2 ARG A 15 10.442 -8.420 4.481 1.00 0.00 N ATOM 0 H ARG A 15 11.540 -1.689 9.776 1.00 0.00 H new ATOM 0 HA ARG A 15 11.358 -1.846 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.001 -3.699 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.277 -3.984 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.409 -3.749 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.348 -4.901 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.960 -5.822 7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.425 -4.992 6.159 1.00 0.00 H new ATOM 0 HE ARG A 15 11.758 -6.714 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.229 -6.533 5.860 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.004 -7.950 4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.453 -8.529 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.819 -9.074 4.007 1.00 0.00 H new ATOM 272 N ALA A 16 8.881 -1.322 8.880 1.00 0.00 N ATOM 273 CA ALA A 16 7.465 -0.987 8.966 1.00 0.00 C ATOM 274 C ALA A 16 7.208 0.446 8.506 1.00 0.00 C ATOM 275 O ALA A 16 6.059 0.856 8.341 1.00 0.00 O ATOM 276 CB ALA A 16 6.965 -1.184 10.389 1.00 0.00 C ATOM 0 H ALA A 16 9.404 -1.161 9.741 1.00 0.00 H new ATOM 0 HA ALA A 16 6.917 -1.656 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.906 -0.931 10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.104 -2.224 10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.526 -0.538 11.064 1.00 0.00 H new ATOM 282 N LYS A 17 8.283 1.200 8.292 1.00 0.00 N ATOM 283 CA LYS A 17 8.175 2.580 7.842 1.00 0.00 C ATOM 284 C LYS A 17 8.577 2.684 6.379 1.00 0.00 C ATOM 285 O LYS A 17 7.888 3.311 5.574 1.00 0.00 O ATOM 286 CB LYS A 17 9.054 3.494 8.697 1.00 0.00 C ATOM 287 CG LYS A 17 8.522 3.705 10.105 1.00 0.00 C ATOM 288 CD LYS A 17 9.487 4.521 10.950 1.00 0.00 C ATOM 289 CE LYS A 17 9.343 4.196 12.427 1.00 0.00 C ATOM 290 NZ LYS A 17 8.229 4.957 13.059 1.00 0.00 N ATOM 0 H LYS A 17 9.241 0.875 8.424 1.00 0.00 H new ATOM 0 HA LYS A 17 7.139 2.900 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.056 3.069 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.146 4.461 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.559 4.213 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.350 2.738 10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.510 4.322 10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.304 5.584 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.166 3.127 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.276 4.425 12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.165 4.706 14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.409 5.977 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.334 4.720 12.586 1.00 0.00 H new ATOM 304 N ARG A 18 9.691 2.047 6.043 1.00 0.00 N ATOM 305 CA ARG A 18 10.190 2.043 4.676 1.00 0.00 C ATOM 306 C ARG A 18 9.182 1.383 3.745 1.00 0.00 C ATOM 307 O ARG A 18 9.097 1.717 2.563 1.00 0.00 O ATOM 308 CB ARG A 18 11.516 1.290 4.607 1.00 0.00 C ATOM 309 CG ARG A 18 12.298 1.546 3.330 1.00 0.00 C ATOM 310 CD ARG A 18 13.472 0.589 3.192 1.00 0.00 C ATOM 311 NE ARG A 18 13.193 -0.486 2.242 1.00 0.00 N ATOM 312 CZ ARG A 18 14.135 -1.240 1.678 1.00 0.00 C ATOM 313 NH1 ARG A 18 15.415 -1.040 1.967 1.00 0.00 N ATOM 314 NH2 ARG A 18 13.795 -2.195 0.824 1.00 0.00 N ATOM 0 H ARG A 18 10.268 1.524 6.702 1.00 0.00 H new ATOM 0 HA ARG A 18 10.342 3.075 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.130 1.574 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.322 0.221 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.637 1.438 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 18 12.663 2.573 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.353 1.141 2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.707 0.160 4.166 1.00 0.00 H new ATOM 0 HE ARG A 18 12.220 -0.670 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 18 15.681 -0.306 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.133 -1.620 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.813 -2.352 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.516 -2.773 0.392 1.00 0.00 H new ATOM 328 N GLU A 19 8.423 0.440 4.291 1.00 0.00 N ATOM 329 CA GLU A 19 7.420 -0.280 3.518 1.00 0.00 C ATOM 330 C GLU A 19 6.334 0.668 3.024 1.00 0.00 C ATOM 331 O GLU A 19 5.995 0.673 1.842 1.00 0.00 O ATOM 332 CB GLU A 19 6.797 -1.394 4.361 1.00 0.00 C ATOM 333 CG GLU A 19 7.468 -2.745 4.173 1.00 0.00 C ATOM 334 CD GLU A 19 6.835 -3.560 3.064 1.00 0.00 C ATOM 335 OE1 GLU A 19 5.594 -3.512 2.925 1.00 0.00 O ATOM 336 OE2 GLU A 19 7.578 -4.246 2.331 1.00 0.00 O ATOM 0 H GLU A 19 8.484 0.156 5.269 1.00 0.00 H new ATOM 0 HA GLU A 19 7.913 -0.723 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.849 -1.115 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.741 -1.483 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.524 -2.594 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.416 -3.306 5.106 1.00 0.00 H new ATOM 343 N PHE A 20 5.793 1.468 3.937 1.00 0.00 N ATOM 344 CA PHE A 20 4.743 2.421 3.586 1.00 0.00 C ATOM 345 C PHE A 20 5.336 3.708 3.029 1.00 0.00 C ATOM 346 O PHE A 20 4.697 4.406 2.243 1.00 0.00 O ATOM 347 CB PHE A 20 3.840 2.699 4.797 1.00 0.00 C ATOM 348 CG PHE A 20 4.391 3.689 5.791 1.00 0.00 C ATOM 349 CD1 PHE A 20 4.518 5.033 5.469 1.00 0.00 C ATOM 350 CD2 PHE A 20 4.768 3.272 7.056 1.00 0.00 C ATOM 351 CE1 PHE A 20 5.011 5.937 6.390 1.00 0.00 C ATOM 352 CE2 PHE A 20 5.263 4.172 7.981 1.00 0.00 C ATOM 353 CZ PHE A 20 5.384 5.505 7.647 1.00 0.00 C ATOM 0 H PHE A 20 6.062 1.477 4.921 1.00 0.00 H new ATOM 0 HA PHE A 20 4.128 1.979 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.879 3.066 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.650 1.758 5.312 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.228 5.376 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.674 2.230 7.324 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.104 6.980 6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.555 3.832 8.964 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.770 6.210 8.368 1.00 0.00 H new ATOM 363 N ASN A 21 6.571 4.008 3.411 1.00 0.00 N ATOM 364 CA ASN A 21 7.242 5.203 2.915 1.00 0.00 C ATOM 365 C ASN A 21 7.205 5.237 1.387 1.00 0.00 C ATOM 366 O ASN A 21 7.358 6.295 0.776 1.00 0.00 O ATOM 367 CB ASN A 21 8.691 5.247 3.407 1.00 0.00 C ATOM 368 CG ASN A 21 8.932 6.376 4.391 1.00 0.00 C ATOM 369 OD1 ASN A 21 8.946 7.549 4.017 1.00 0.00 O ATOM 370 ND2 ASN A 21 9.124 6.025 5.657 1.00 0.00 N ATOM 0 H ASN A 21 7.125 3.446 4.057 1.00 0.00 H new ATOM 0 HA ASN A 21 6.717 6.077 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.941 4.297 3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.359 5.364 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.292 6.740 6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.104 5.040 5.922 1.00 0.00 H new ATOM 377 N GLU A 22 7.000 4.068 0.778 1.00 0.00 N ATOM 378 CA GLU A 22 6.939 3.957 -0.672 1.00 0.00 C ATOM 379 C GLU A 22 5.509 3.705 -1.157 1.00 0.00 C ATOM 380 O GLU A 22 5.299 3.320 -2.306 1.00 0.00 O ATOM 381 CB GLU A 22 7.851 2.827 -1.149 1.00 0.00 C ATOM 382 CG GLU A 22 8.586 3.141 -2.442 1.00 0.00 C ATOM 383 CD GLU A 22 8.032 2.379 -3.630 1.00 0.00 C ATOM 384 OE1 GLU A 22 8.220 1.146 -3.683 1.00 0.00 O ATOM 385 OE2 GLU A 22 7.411 3.016 -4.507 1.00 0.00 O ATOM 0 H GLU A 22 6.874 3.185 1.272 1.00 0.00 H new ATOM 0 HA GLU A 22 7.277 4.904 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.581 2.608 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.255 1.925 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.523 4.211 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.642 2.901 -2.322 1.00 0.00 H new ATOM 392 N ASN A 23 4.525 3.927 -0.285 1.00 0.00 N ATOM 393 CA ASN A 23 3.127 3.723 -0.659 1.00 0.00 C ATOM 394 C ASN A 23 2.181 4.589 0.165 1.00 0.00 C ATOM 395 O ASN A 23 1.038 4.210 0.421 1.00 0.00 O ATOM 396 CB ASN A 23 2.741 2.252 -0.529 1.00 0.00 C ATOM 397 CG ASN A 23 2.825 1.720 0.887 1.00 0.00 C ATOM 398 OD1 ASN A 23 3.669 0.877 1.187 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.936 2.184 1.758 1.00 0.00 N ATOM 0 H ASN A 23 4.668 4.244 0.674 1.00 0.00 H new ATOM 0 HA ASN A 23 3.029 4.026 -1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.724 2.119 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.392 1.657 -1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.936 1.841 2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.253 2.883 1.466 1.00 0.00 H new ATOM 406 N ARG A 24 2.664 5.754 0.564 1.00 0.00 N ATOM 407 CA ARG A 24 1.875 6.696 1.351 1.00 0.00 C ATOM 408 C ARG A 24 2.260 8.114 0.995 1.00 0.00 C ATOM 409 O ARG A 24 1.413 8.981 0.781 1.00 0.00 O ATOM 410 CB ARG A 24 2.128 6.475 2.833 1.00 0.00 C ATOM 411 CG ARG A 24 1.963 5.033 3.258 1.00 0.00 C ATOM 412 CD ARG A 24 1.263 4.918 4.604 1.00 0.00 C ATOM 413 NE ARG A 24 0.155 3.966 4.564 1.00 0.00 N ATOM 414 CZ ARG A 24 -0.840 3.948 5.448 1.00 0.00 C ATOM 415 NH1 ARG A 24 -0.868 4.822 6.445 1.00 0.00 N ATOM 416 NH2 ARG A 24 -1.810 3.051 5.333 1.00 0.00 N ATOM 0 H ARG A 24 3.609 6.075 0.354 1.00 0.00 H new ATOM 0 HA ARG A 24 0.820 6.535 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.138 6.805 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.443 7.097 3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.390 4.495 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.942 4.557 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.982 4.606 5.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.889 5.897 4.903 1.00 0.00 H new ATOM 0 HE ARG A 24 0.143 3.274 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.124 5.514 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.633 4.803 7.119 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.793 2.376 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.573 3.036 6.009 1.00 0.00 H new ATOM 430 N TYR A 25 3.560 8.331 0.933 1.00 0.00 N ATOM 431 CA TYR A 25 4.110 9.634 0.600 1.00 0.00 C ATOM 432 C TYR A 25 3.539 10.128 -0.732 1.00 0.00 C ATOM 433 O TYR A 25 3.274 11.316 -0.906 1.00 0.00 O ATOM 434 CB TYR A 25 5.627 9.526 0.473 1.00 0.00 C ATOM 435 CG TYR A 25 5.997 8.798 -0.786 1.00 0.00 C ATOM 436 CD1 TYR A 25 5.634 7.474 -0.950 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.630 9.448 -1.831 1.00 0.00 C ATOM 438 CE1 TYR A 25 5.895 6.806 -2.119 1.00 0.00 C ATOM 439 CE2 TYR A 25 6.908 8.787 -3.009 1.00 0.00 C ATOM 440 CZ TYR A 25 6.537 7.463 -3.152 1.00 0.00 C ATOM 441 OH TYR A 25 6.800 6.798 -4.328 1.00 0.00 O ATOM 0 H TYR A 25 4.263 7.614 1.111 1.00 0.00 H new ATOM 0 HA TYR A 25 3.845 10.337 1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.070 10.522 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.034 9.001 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.136 6.957 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.910 10.486 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.601 5.773 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.412 9.300 -3.814 1.00 0.00 H new ATOM 0 HH TYR A 25 7.255 7.403 -4.951 1.00 0.00 H new ATOM 451 N LEU A 26 3.371 9.192 -1.673 1.00 0.00 N ATOM 452 CA LEU A 26 2.851 9.500 -3.003 1.00 0.00 C ATOM 453 C LEU A 26 1.535 10.251 -2.904 1.00 0.00 C ATOM 454 O LEU A 26 1.182 11.029 -3.785 1.00 0.00 O ATOM 455 CB LEU A 26 2.661 8.211 -3.807 1.00 0.00 C ATOM 456 CG LEU A 26 1.564 7.277 -3.292 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.058 6.382 -4.411 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.079 6.442 -2.128 1.00 0.00 C ATOM 0 H LEU A 26 3.591 8.206 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 26 3.573 10.135 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.435 8.476 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.605 7.666 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 26 0.732 7.884 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.278 5.724 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.651 6.997 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.882 5.781 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.286 5.783 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.928 5.843 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.392 7.101 -1.318 1.00 0.00 H new ATOM 470 N THR A 27 0.831 10.026 -1.809 1.00 0.00 N ATOM 471 CA THR A 27 -0.435 10.689 -1.556 1.00 0.00 C ATOM 472 C THR A 27 -0.193 12.180 -1.343 1.00 0.00 C ATOM 473 O THR A 27 -1.104 13.000 -1.458 1.00 0.00 O ATOM 474 CB THR A 27 -1.112 10.063 -0.338 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.545 10.559 0.863 1.00 0.00 O ATOM 476 CG2 THR A 27 -1.000 8.550 -0.313 1.00 0.00 C ATOM 0 H THR A 27 1.119 9.381 -1.073 1.00 0.00 H new ATOM 0 HA THR A 27 -1.096 10.564 -2.414 1.00 0.00 H new ATOM 0 HB THR A 27 -2.165 10.336 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.133 9.931 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.499 8.163 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.471 8.135 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.051 8.263 -0.292 1.00 0.00 H new ATOM 484 N GLU A 28 1.064 12.513 -1.061 1.00 0.00 N ATOM 485 CA GLU A 28 1.485 13.888 -0.860 1.00 0.00 C ATOM 486 C GLU A 28 2.800 14.141 -1.602 1.00 0.00 C ATOM 487 O GLU A 28 3.521 15.093 -1.306 1.00 0.00 O ATOM 488 CB GLU A 28 1.660 14.180 0.631 1.00 0.00 C ATOM 489 CG GLU A 28 0.398 14.699 1.303 1.00 0.00 C ATOM 490 CD GLU A 28 0.393 16.208 1.448 1.00 0.00 C ATOM 491 OE1 GLU A 28 0.990 16.889 0.588 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.209 16.707 2.422 1.00 0.00 O ATOM 0 H GLU A 28 1.817 11.832 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 28 0.717 14.552 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.982 13.269 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.457 14.913 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.471 14.391 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.302 14.243 2.288 1.00 0.00 H new ATOM 499 N ARG A 29 3.102 13.270 -2.570 1.00 0.00 N ATOM 500 CA ARG A 29 4.325 13.376 -3.362 1.00 0.00 C ATOM 501 C ARG A 29 4.001 13.404 -4.850 1.00 0.00 C ATOM 502 O ARG A 29 4.525 14.233 -5.595 1.00 0.00 O ATOM 503 CB ARG A 29 5.264 12.209 -3.056 1.00 0.00 C ATOM 504 CG ARG A 29 6.737 12.581 -3.144 1.00 0.00 C ATOM 505 CD ARG A 29 7.449 11.813 -4.247 1.00 0.00 C ATOM 506 NE ARG A 29 8.712 11.241 -3.788 1.00 0.00 N ATOM 507 CZ ARG A 29 9.527 10.527 -4.560 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.217 10.297 -5.830 1.00 0.00 N ATOM 509 NH2 ARG A 29 10.655 10.041 -4.062 1.00 0.00 N ATOM 0 H ARG A 29 2.509 12.479 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 29 4.822 14.308 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.051 11.833 -2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.060 11.396 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.831 13.651 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.221 12.377 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.801 11.016 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.637 12.479 -5.089 1.00 0.00 H new ATOM 0 HE ARG A 29 8.985 11.398 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.350 10.668 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.846 9.749 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.898 10.214 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.280 9.494 -4.654 1.00 0.00 H new ATOM 523 N ARG A 30 3.135 12.491 -5.280 1.00 0.00 N ATOM 524 CA ARG A 30 2.742 12.413 -6.682 1.00 0.00 C ATOM 525 C ARG A 30 1.232 12.222 -6.831 1.00 0.00 C ATOM 526 O ARG A 30 0.741 11.936 -7.923 1.00 0.00 O ATOM 527 CB ARG A 30 3.481 11.269 -7.379 1.00 0.00 C ATOM 528 CG ARG A 30 3.381 9.943 -6.641 1.00 0.00 C ATOM 529 CD ARG A 30 2.386 9.004 -7.308 1.00 0.00 C ATOM 530 NE ARG A 30 3.011 7.749 -7.719 1.00 0.00 N ATOM 531 CZ ARG A 30 3.739 7.609 -8.826 1.00 0.00 C ATOM 532 NH1 ARG A 30 3.935 8.642 -9.635 1.00 0.00 N ATOM 533 NH2 ARG A 30 4.271 6.432 -9.123 1.00 0.00 N ATOM 0 H ARG A 30 2.693 11.796 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 30 3.013 13.358 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.079 11.147 -8.385 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.532 11.538 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.362 9.470 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.078 10.122 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.568 8.793 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.951 9.495 -8.179 1.00 0.00 H new ATOM 0 HE ARG A 30 2.882 6.931 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.527 9.550 -9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.493 8.528 -10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.123 5.635 -8.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.829 6.324 -9.970 1.00 0.00 H new ATOM 547 N ARG A 31 0.497 12.389 -5.733 1.00 0.00 N ATOM 548 CA ARG A 31 -0.953 12.240 -5.758 1.00 0.00 C ATOM 549 C ARG A 31 -1.573 13.312 -6.637 1.00 0.00 C ATOM 550 O ARG A 31 -2.565 13.075 -7.325 1.00 0.00 O ATOM 551 CB ARG A 31 -1.526 12.335 -4.345 1.00 0.00 C ATOM 552 CG ARG A 31 -2.799 11.529 -4.147 1.00 0.00 C ATOM 553 CD ARG A 31 -3.771 12.238 -3.217 1.00 0.00 C ATOM 554 NE ARG A 31 -3.818 11.616 -1.895 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.239 12.240 -0.795 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.645 13.503 -0.853 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.255 11.599 0.366 1.00 0.00 N ATOM 0 H ARG A 31 0.882 12.627 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.191 11.258 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.775 11.992 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.729 13.381 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.276 11.359 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.551 10.550 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.478 13.283 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.768 12.227 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.510 10.647 -1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.636 14.001 -1.743 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.966 13.975 -0.008 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.945 10.629 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.577 12.076 1.208 1.00 0.00 H new ATOM 571 N GLN A 32 -0.964 14.490 -6.621 1.00 0.00 N ATOM 572 CA GLN A 32 -1.440 15.603 -7.433 1.00 0.00 C ATOM 573 C GLN A 32 -1.025 15.402 -8.886 1.00 0.00 C ATOM 574 O GLN A 32 -1.487 16.109 -9.783 1.00 0.00 O ATOM 575 CB GLN A 32 -0.889 16.930 -6.905 1.00 0.00 C ATOM 576 CG GLN A 32 -0.961 17.060 -5.392 1.00 0.00 C ATOM 577 CD GLN A 32 0.339 16.676 -4.712 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.414 17.138 -5.096 1.00 0.00 O ATOM 579 NE2 GLN A 32 0.246 15.826 -3.697 1.00 0.00 N ATOM 0 H GLN A 32 -0.141 14.700 -6.056 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.528 15.635 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.149 17.034 -7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.445 17.751 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.214 18.088 -5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.765 16.428 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.666 15.469 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.087 15.530 -3.201 1.00 0.00 H new ATOM 588 N GLN A 33 -0.161 14.416 -9.107 1.00 0.00 N ATOM 589 CA GLN A 33 0.316 14.085 -10.439 1.00 0.00 C ATOM 590 C GLN A 33 -0.397 12.839 -10.948 1.00 0.00 C ATOM 591 O GLN A 33 -0.376 12.533 -12.140 1.00 0.00 O ATOM 592 CB GLN A 33 1.826 13.855 -10.404 1.00 0.00 C ATOM 593 CG GLN A 33 2.573 14.561 -11.518 1.00 0.00 C ATOM 594 CD GLN A 33 2.209 14.035 -12.893 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.069 14.803 -13.846 1.00 0.00 O ATOM 596 NE2 GLN A 33 2.053 12.718 -13.008 1.00 0.00 N ATOM 0 H GLN A 33 0.225 13.828 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 33 0.102 14.912 -11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.215 14.196 -9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.024 12.785 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.358 15.629 -11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.645 14.445 -11.361 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.178 12.117 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.808 12.310 -13.910 1.00 0.00 H new ATOM 605 N LEU A 34 -1.035 12.135 -10.022 1.00 0.00 N ATOM 606 CA LEU A 34 -1.774 10.927 -10.334 1.00 0.00 C ATOM 607 C LEU A 34 -3.271 11.214 -10.378 1.00 0.00 C ATOM 608 O LEU A 34 -4.076 10.335 -10.678 1.00 0.00 O ATOM 609 CB LEU A 34 -1.479 9.858 -9.292 1.00 0.00 C ATOM 610 CG LEU A 34 -1.208 8.468 -9.850 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.199 7.463 -8.715 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.247 8.097 -10.905 1.00 0.00 C ATOM 0 H LEU A 34 -1.052 12.389 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.461 10.568 -11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.615 10.172 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.324 9.799 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.232 8.460 -10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.005 6.467 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.419 7.727 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.167 7.471 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.034 7.100 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.241 8.108 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.209 8.817 -11.722 1.00 0.00 H new ATOM 624 N SER A 35 -3.634 12.449 -10.072 1.00 0.00 N ATOM 625 CA SER A 35 -5.025 12.862 -10.082 1.00 0.00 C ATOM 626 C SER A 35 -5.279 13.874 -11.201 1.00 0.00 C ATOM 627 O SER A 35 -6.413 14.301 -11.417 1.00 0.00 O ATOM 628 CB SER A 35 -5.404 13.453 -8.726 1.00 0.00 C ATOM 629 OG SER A 35 -6.533 14.305 -8.832 1.00 0.00 O ATOM 0 H SER A 35 -2.979 13.186 -9.812 1.00 0.00 H new ATOM 0 HA SER A 35 -5.648 11.988 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.618 12.648 -8.023 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.560 14.013 -8.322 1.00 0.00 H new ATOM 0 HG SER A 35 -6.917 14.230 -9.731 1.00 0.00 H new ATOM 635 N SER A 36 -4.216 14.251 -11.914 1.00 0.00 N ATOM 636 CA SER A 36 -4.328 15.206 -13.009 1.00 0.00 C ATOM 637 C SER A 36 -3.957 14.562 -14.346 1.00 0.00 C ATOM 638 O SER A 36 -4.373 15.033 -15.405 1.00 0.00 O ATOM 639 CB SER A 36 -3.429 16.416 -12.748 1.00 0.00 C ATOM 640 OG SER A 36 -4.062 17.618 -13.153 1.00 0.00 O ATOM 0 H SER A 36 -3.270 13.908 -11.750 1.00 0.00 H new ATOM 0 HA SER A 36 -5.366 15.533 -13.064 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.185 16.469 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.489 16.297 -13.286 1.00 0.00 H new ATOM 0 HG SER A 36 -3.468 18.377 -12.974 1.00 0.00 H new ATOM 646 N GLU A 37 -3.170 13.486 -14.296 1.00 0.00 N ATOM 647 CA GLU A 37 -2.747 12.793 -15.513 1.00 0.00 C ATOM 648 C GLU A 37 -3.712 11.670 -15.889 1.00 0.00 C ATOM 649 O GLU A 37 -3.377 10.796 -16.689 1.00 0.00 O ATOM 650 CB GLU A 37 -1.335 12.230 -15.334 1.00 0.00 C ATOM 651 CG GLU A 37 -0.358 12.682 -16.408 1.00 0.00 C ATOM 652 CD GLU A 37 -0.280 14.191 -16.526 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.339 14.825 -15.645 1.00 0.00 O ATOM 654 OE2 GLU A 37 -0.838 14.741 -17.499 1.00 0.00 O ATOM 0 H GLU A 37 -2.815 13.078 -13.431 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.749 13.520 -16.325 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.954 12.531 -14.358 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.384 11.141 -15.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.633 12.287 -16.183 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.658 12.261 -17.368 1.00 0.00 H new ATOM 661 N LEU A 38 -4.902 11.686 -15.297 1.00 0.00 N ATOM 662 CA LEU A 38 -5.896 10.656 -15.562 1.00 0.00 C ATOM 663 C LEU A 38 -7.301 11.139 -15.207 1.00 0.00 C ATOM 664 O LEU A 38 -8.197 10.334 -14.951 1.00 0.00 O ATOM 665 CB LEU A 38 -5.575 9.379 -14.771 1.00 0.00 C ATOM 666 CG LEU A 38 -4.155 9.283 -14.181 1.00 0.00 C ATOM 667 CD1 LEU A 38 -3.874 10.408 -13.199 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.961 7.950 -13.482 1.00 0.00 C ATOM 0 H LEU A 38 -5.200 12.400 -14.632 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.864 10.435 -16.629 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.292 9.293 -13.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.733 8.522 -15.426 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.456 9.370 -15.012 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.863 10.304 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.968 11.367 -13.708 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.589 10.361 -12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.953 7.898 -13.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.687 7.853 -12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.103 7.140 -14.197 1.00 0.00 H new ATOM 680 N GLY A 39 -7.489 12.455 -15.191 1.00 0.00 N ATOM 681 CA GLY A 39 -8.789 13.015 -14.866 1.00 0.00 C ATOM 682 C GLY A 39 -9.344 12.498 -13.551 1.00 0.00 C ATOM 683 O GLY A 39 -10.555 12.532 -13.328 1.00 0.00 O ATOM 0 H GLY A 39 -6.765 13.143 -15.397 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.709 14.101 -14.819 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.490 12.781 -15.667 1.00 0.00 H new ATOM 687 N LEU A 40 -8.463 12.020 -12.674 1.00 0.00 N ATOM 688 CA LEU A 40 -8.886 11.503 -11.377 1.00 0.00 C ATOM 689 C LEU A 40 -8.906 12.613 -10.331 1.00 0.00 C ATOM 690 O LEU A 40 -8.727 13.788 -10.650 1.00 0.00 O ATOM 691 CB LEU A 40 -7.952 10.383 -10.901 1.00 0.00 C ATOM 692 CG LEU A 40 -7.838 9.165 -11.816 1.00 0.00 C ATOM 693 CD1 LEU A 40 -6.446 8.562 -11.712 1.00 0.00 C ATOM 694 CD2 LEU A 40 -8.888 8.125 -11.458 1.00 0.00 C ATOM 0 H LEU A 40 -7.457 11.981 -12.838 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.893 11.103 -11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.956 10.803 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.293 10.045 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.009 9.487 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.375 7.694 -12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.705 9.304 -12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.258 8.255 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.790 7.266 -12.121 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.746 7.805 -10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.882 8.558 -11.570 1.00 0.00 H new ATOM 706 N ASN A 41 -9.104 12.220 -9.079 1.00 0.00 N ATOM 707 CA ASN A 41 -9.128 13.157 -7.966 1.00 0.00 C ATOM 708 C ASN A 41 -8.272 12.614 -6.828 1.00 0.00 C ATOM 709 O ASN A 41 -8.284 11.414 -6.555 1.00 0.00 O ATOM 710 CB ASN A 41 -10.564 13.392 -7.489 1.00 0.00 C ATOM 711 CG ASN A 41 -10.916 14.865 -7.420 1.00 0.00 C ATOM 712 OD1 ASN A 41 -10.587 15.637 -8.319 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.590 15.261 -6.346 1.00 0.00 N ATOM 0 H ASN A 41 -9.252 11.248 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.722 14.113 -8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.255 12.887 -8.164 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.695 12.943 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.855 16.240 -6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.842 14.586 -5.624 1.00 0.00 H new ATOM 720 N GLU A 42 -7.528 13.497 -6.169 1.00 0.00 N ATOM 721 CA GLU A 42 -6.658 13.099 -5.065 1.00 0.00 C ATOM 722 C GLU A 42 -7.394 12.184 -4.094 1.00 0.00 C ATOM 723 O GLU A 42 -6.787 11.348 -3.424 1.00 0.00 O ATOM 724 CB GLU A 42 -6.136 14.335 -4.329 1.00 0.00 C ATOM 725 CG GLU A 42 -5.338 15.278 -5.214 1.00 0.00 C ATOM 726 CD GLU A 42 -5.848 16.706 -5.160 1.00 0.00 C ATOM 727 OE1 GLU A 42 -5.902 17.275 -4.049 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.196 17.253 -6.226 1.00 0.00 O ATOM 0 H GLU A 42 -7.510 14.495 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.813 12.550 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.980 14.877 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.510 14.014 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.292 15.259 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.376 14.922 -6.244 1.00 0.00 H new ATOM 735 N ALA A 43 -8.706 12.351 -4.031 1.00 0.00 N ATOM 736 CA ALA A 43 -9.539 11.543 -3.148 1.00 0.00 C ATOM 737 C ALA A 43 -9.802 10.167 -3.737 1.00 0.00 C ATOM 738 O ALA A 43 -9.796 9.165 -3.024 1.00 0.00 O ATOM 739 CB ALA A 43 -10.858 12.245 -2.886 1.00 0.00 C ATOM 0 H ALA A 43 -9.219 13.040 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.000 11.416 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.471 11.632 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.669 13.210 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.382 12.398 -3.829 1.00 0.00 H new ATOM 745 N GLN A 44 -10.041 10.127 -5.040 1.00 0.00 N ATOM 746 CA GLN A 44 -10.318 8.871 -5.718 1.00 0.00 C ATOM 747 C GLN A 44 -9.030 8.156 -6.110 1.00 0.00 C ATOM 748 O GLN A 44 -9.056 6.975 -6.457 1.00 0.00 O ATOM 749 CB GLN A 44 -11.222 9.066 -6.943 1.00 0.00 C ATOM 750 CG GLN A 44 -11.272 10.486 -7.481 1.00 0.00 C ATOM 751 CD GLN A 44 -11.577 10.514 -8.960 1.00 0.00 C ATOM 752 OE1 GLN A 44 -12.508 11.186 -9.406 1.00 0.00 O ATOM 753 NE2 GLN A 44 -10.786 9.780 -9.726 1.00 0.00 N ATOM 0 H GLN A 44 -10.049 10.947 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.856 8.242 -5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.880 8.404 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.234 8.756 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.032 11.052 -6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.317 10.978 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.028 9.241 -9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.934 9.754 -10.735 1.00 0.00 H new ATOM 762 N ILE A 45 -7.890 8.844 -6.018 1.00 0.00 N ATOM 763 CA ILE A 45 -6.618 8.208 -6.327 1.00 0.00 C ATOM 764 C ILE A 45 -6.480 6.977 -5.458 1.00 0.00 C ATOM 765 O ILE A 45 -6.275 5.869 -5.950 1.00 0.00 O ATOM 766 CB ILE A 45 -5.421 9.154 -6.087 1.00 0.00 C ATOM 767 CG1 ILE A 45 -5.488 10.334 -7.044 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.110 8.412 -6.278 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.721 9.911 -8.474 1.00 0.00 C ATOM 0 H ILE A 45 -7.826 9.822 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.609 7.943 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.471 9.520 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.289 11.004 -6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.558 10.899 -6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.277 9.094 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.054 7.584 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.056 8.024 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.760 10.793 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.907 9.263 -8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.665 9.370 -8.544 1.00 0.00 H new ATOM 781 N LYS A 46 -6.645 7.185 -4.161 1.00 0.00 N ATOM 782 CA LYS A 46 -6.586 6.099 -3.204 1.00 0.00 C ATOM 783 C LYS A 46 -7.712 5.105 -3.464 1.00 0.00 C ATOM 784 O LYS A 46 -7.692 3.984 -2.953 1.00 0.00 O ATOM 785 CB LYS A 46 -6.695 6.642 -1.778 1.00 0.00 C ATOM 786 CG LYS A 46 -5.465 7.406 -1.322 1.00 0.00 C ATOM 787 CD LYS A 46 -5.775 8.300 -0.132 1.00 0.00 C ATOM 788 CE LYS A 46 -6.672 9.462 -0.528 1.00 0.00 C ATOM 789 NZ LYS A 46 -6.836 10.442 0.582 1.00 0.00 N ATOM 0 H LYS A 46 -6.821 8.101 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.629 5.590 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.564 7.297 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.870 5.811 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.677 6.702 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.086 8.012 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.260 7.714 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.845 8.683 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.250 9.966 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.650 9.081 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.774 10.323 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.101 10.280 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.748 11.408 0.208 1.00 0.00 H new ATOM 803 N ILE A 47 -8.715 5.528 -4.239 1.00 0.00 N ATOM 804 CA ILE A 47 -9.860 4.675 -4.528 1.00 0.00 C ATOM 805 C ILE A 47 -9.594 3.642 -5.625 1.00 0.00 C ATOM 806 O ILE A 47 -9.998 2.487 -5.482 1.00 0.00 O ATOM 807 CB ILE A 47 -11.104 5.518 -4.901 1.00 0.00 C ATOM 808 CG1 ILE A 47 -11.918 5.833 -3.647 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.972 4.814 -5.938 1.00 0.00 C ATOM 810 CD1 ILE A 47 -11.296 6.911 -2.791 1.00 0.00 C ATOM 0 H ILE A 47 -8.753 6.450 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.050 4.123 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.756 6.450 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.921 6.144 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.027 4.925 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.835 5.437 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.390 4.642 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.313 3.858 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.922 7.088 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.304 6.593 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.212 7.831 -3.369 1.00 0.00 H new ATOM 822 N TRP A 48 -8.959 4.026 -6.730 1.00 0.00 N ATOM 823 CA TRP A 48 -8.742 3.046 -7.788 1.00 0.00 C ATOM 824 C TRP A 48 -7.692 2.006 -7.397 1.00 0.00 C ATOM 825 O TRP A 48 -7.768 0.865 -7.851 1.00 0.00 O ATOM 826 CB TRP A 48 -8.448 3.670 -9.158 1.00 0.00 C ATOM 827 CG TRP A 48 -7.577 4.882 -9.161 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.961 6.184 -9.056 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.170 4.900 -9.343 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.876 7.002 -9.147 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.758 6.237 -9.318 1.00 0.00 C ATOM 832 CE3 TRP A 48 -5.220 3.908 -9.513 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.430 6.602 -9.463 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.903 4.263 -9.661 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.515 5.601 -9.635 1.00 0.00 C ATOM 0 H TRP A 48 -8.601 4.964 -6.912 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.693 2.526 -7.903 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.980 2.912 -9.786 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.397 3.930 -9.626 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.979 6.519 -8.920 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.895 8.021 -9.096 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.512 2.868 -9.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.128 7.639 -9.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.157 3.495 -9.800 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.471 5.852 -9.753 1.00 0.00 H new ATOM 846 N PHE A 49 -6.744 2.356 -6.519 1.00 0.00 N ATOM 847 CA PHE A 49 -5.764 1.360 -6.076 1.00 0.00 C ATOM 848 C PHE A 49 -6.494 0.299 -5.276 1.00 0.00 C ATOM 849 O PHE A 49 -6.364 -0.897 -5.534 1.00 0.00 O ATOM 850 CB PHE A 49 -4.662 1.934 -5.180 1.00 0.00 C ATOM 851 CG PHE A 49 -4.056 3.214 -5.637 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.224 3.259 -6.737 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.304 4.370 -4.939 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.654 4.450 -7.134 1.00 0.00 C ATOM 855 CE2 PHE A 49 -3.740 5.561 -5.322 1.00 0.00 C ATOM 856 CZ PHE A 49 -2.912 5.608 -6.426 1.00 0.00 C ATOM 0 H PHE A 49 -6.636 3.286 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.287 0.967 -6.974 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.073 2.085 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.870 1.191 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.018 2.355 -7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.952 4.342 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.006 4.478 -7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.944 6.461 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.469 6.544 -6.734 1.00 0.00 H new ATOM 866 N GLN A 50 -7.278 0.760 -4.298 1.00 0.00 N ATOM 867 CA GLN A 50 -8.045 -0.148 -3.453 1.00 0.00 C ATOM 868 C GLN A 50 -8.973 -1.001 -4.311 1.00 0.00 C ATOM 869 O GLN A 50 -9.335 -2.116 -3.936 1.00 0.00 O ATOM 870 CB GLN A 50 -8.844 0.636 -2.404 1.00 0.00 C ATOM 871 CG GLN A 50 -10.003 1.433 -2.975 1.00 0.00 C ATOM 872 CD GLN A 50 -11.025 1.812 -1.920 1.00 0.00 C ATOM 873 OE1 GLN A 50 -11.949 1.052 -1.632 1.00 0.00 O ATOM 874 NE2 GLN A 50 -10.863 2.997 -1.340 1.00 0.00 N ATOM 0 H GLN A 50 -7.396 1.749 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.353 -0.806 -2.928 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.229 -0.062 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.170 1.317 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.620 2.338 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.491 0.849 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.082 3.595 -1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.520 3.309 -0.625 1.00 0.00 H new ATOM 883 N ASN A 51 -9.336 -0.471 -5.475 1.00 0.00 N ATOM 884 CA ASN A 51 -10.200 -1.181 -6.403 1.00 0.00 C ATOM 885 C ASN A 51 -9.365 -2.072 -7.316 1.00 0.00 C ATOM 886 O ASN A 51 -9.820 -3.128 -7.756 1.00 0.00 O ATOM 887 CB ASN A 51 -11.018 -0.192 -7.237 1.00 0.00 C ATOM 888 CG ASN A 51 -12.409 0.025 -6.674 1.00 0.00 C ATOM 889 OD1 ASN A 51 -13.387 -0.535 -7.170 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.505 0.843 -5.632 1.00 0.00 N ATOM 0 H ASN A 51 -9.042 0.452 -5.796 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.888 -1.804 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.494 0.763 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.096 -0.561 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.415 1.028 -5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.668 1.286 -5.253 1.00 0.00 H new ATOM 897 N LYS A 52 -8.135 -1.641 -7.593 1.00 0.00 N ATOM 898 CA LYS A 52 -7.235 -2.405 -8.447 1.00 0.00 C ATOM 899 C LYS A 52 -6.765 -3.671 -7.738 1.00 0.00 C ATOM 900 O LYS A 52 -6.473 -4.681 -8.378 1.00 0.00 O ATOM 901 CB LYS A 52 -6.030 -1.552 -8.848 1.00 0.00 C ATOM 902 CG LYS A 52 -6.238 -0.774 -10.137 1.00 0.00 C ATOM 903 CD LYS A 52 -6.274 -1.695 -11.347 1.00 0.00 C ATOM 904 CE LYS A 52 -5.535 -1.091 -12.530 1.00 0.00 C ATOM 905 NZ LYS A 52 -4.200 -1.720 -12.732 1.00 0.00 N ATOM 0 H LYS A 52 -7.742 -0.769 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.780 -2.692 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.807 -0.852 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.159 -2.198 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.171 -0.213 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.436 -0.046 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.826 -2.655 -11.088 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.309 -1.891 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.134 -1.213 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.411 -0.020 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.729 -1.280 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.619 -1.582 -11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.319 -2.738 -12.908 1.00 0.00 H new ATOM 919 N ARG A 53 -6.696 -3.611 -6.410 1.00 0.00 N ATOM 920 CA ARG A 53 -6.266 -4.754 -5.614 1.00 0.00 C ATOM 921 C ARG A 53 -7.379 -5.213 -4.678 1.00 0.00 C ATOM 922 O ARG A 53 -7.117 -5.711 -3.583 1.00 0.00 O ATOM 923 CB ARG A 53 -5.016 -4.399 -4.806 1.00 0.00 C ATOM 924 CG ARG A 53 -5.248 -3.308 -3.773 1.00 0.00 C ATOM 925 CD ARG A 53 -3.971 -2.534 -3.482 1.00 0.00 C ATOM 926 NE ARG A 53 -3.340 -2.968 -2.239 1.00 0.00 N ATOM 927 CZ ARG A 53 -2.078 -2.696 -1.914 1.00 0.00 C ATOM 928 NH1 ARG A 53 -1.311 -1.992 -2.737 1.00 0.00 N ATOM 929 NH2 ARG A 53 -1.582 -3.127 -0.762 1.00 0.00 N ATOM 0 H ARG A 53 -6.933 -2.782 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.028 -5.571 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.654 -5.294 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.230 -4.079 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.016 -2.623 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.623 -3.752 -2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.272 -2.664 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.198 -1.470 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.899 -3.511 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.688 -1.656 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.345 -1.786 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.167 -3.667 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.615 -2.918 -0.513 1.00 0.00 H new ATOM 943 N ALA A 54 -8.621 -5.041 -5.117 1.00 0.00 N ATOM 944 CA ALA A 54 -9.776 -5.436 -4.319 1.00 0.00 C ATOM 945 C ALA A 54 -10.074 -6.923 -4.485 1.00 0.00 C ATOM 946 O ALA A 54 -10.305 -7.633 -3.507 1.00 0.00 O ATOM 947 CB ALA A 54 -10.990 -4.606 -4.703 1.00 0.00 C ATOM 0 H ALA A 54 -8.854 -4.631 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.543 -5.254 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.845 -4.911 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.780 -3.551 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.217 -4.760 -5.758 1.00 0.00 H new ATOM 953 N LYS A 55 -10.067 -7.386 -5.731 1.00 0.00 N ATOM 954 CA LYS A 55 -10.338 -8.789 -6.027 1.00 0.00 C ATOM 955 C LYS A 55 -11.763 -9.161 -5.631 1.00 0.00 C ATOM 956 O LYS A 55 -11.992 -10.174 -4.969 1.00 0.00 O ATOM 957 CB LYS A 55 -9.338 -9.690 -5.300 1.00 0.00 C ATOM 958 CG LYS A 55 -8.876 -10.879 -6.128 1.00 0.00 C ATOM 959 CD LYS A 55 -9.584 -12.159 -5.709 1.00 0.00 C ATOM 960 CE LYS A 55 -9.765 -13.105 -6.885 1.00 0.00 C ATOM 961 NZ LYS A 55 -9.521 -14.523 -6.499 1.00 0.00 N ATOM 0 H LYS A 55 -9.877 -6.811 -6.552 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.229 -8.936 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.469 -9.097 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.793 -10.054 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.067 -10.685 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.799 -11.005 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.009 -12.655 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.557 -11.915 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.776 -13.005 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.081 -12.824 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.654 -15.136 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.548 -14.624 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.190 -14.800 -5.753 1.00 0.00 H new ATOM 975 N ILE A 56 -12.718 -8.333 -6.042 1.00 0.00 N ATOM 976 CA ILE A 56 -14.123 -8.572 -5.732 1.00 0.00 C ATOM 977 C ILE A 56 -14.975 -8.525 -6.995 1.00 0.00 C ATOM 978 O ILE A 56 -16.066 -7.955 -7.007 1.00 0.00 O ATOM 979 CB ILE A 56 -14.656 -7.543 -4.716 1.00 0.00 C ATOM 980 CG1 ILE A 56 -16.083 -7.901 -4.287 1.00 0.00 C ATOM 981 CG2 ILE A 56 -14.604 -6.141 -5.307 1.00 0.00 C ATOM 982 CD1 ILE A 56 -16.180 -8.382 -2.855 1.00 0.00 C ATOM 0 H ILE A 56 -12.545 -7.491 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.190 -9.567 -5.291 1.00 0.00 H new ATOM 0 HB ILE A 56 -14.020 -7.566 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -16.722 -7.027 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -16.469 -8.676 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.983 -5.425 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.574 -5.891 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.218 -6.103 -6.207 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.218 -8.617 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.568 -9.275 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -15.824 -7.600 -2.184 1.00 0.00 H new ATOM 994 N ARG A 57 -14.464 -9.131 -8.054 1.00 0.00 N ATOM 995 CA ARG A 57 -15.167 -9.169 -9.332 1.00 0.00 C ATOM 996 C ARG A 57 -15.423 -10.607 -9.770 1.00 0.00 C ATOM 997 O ARG A 57 -16.445 -10.908 -10.387 1.00 0.00 O ATOM 998 CB ARG A 57 -14.359 -8.434 -10.403 1.00 0.00 C ATOM 999 CG ARG A 57 -15.151 -8.137 -11.666 1.00 0.00 C ATOM 1000 CD ARG A 57 -14.770 -9.075 -12.800 1.00 0.00 C ATOM 1001 NE ARG A 57 -15.646 -8.920 -13.958 1.00 0.00 N ATOM 1002 CZ ARG A 57 -15.690 -9.777 -14.975 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -14.909 -10.851 -14.982 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -16.516 -9.561 -15.989 1.00 0.00 N ATOM 0 H ARG A 57 -13.561 -9.606 -8.057 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.128 -8.671 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.989 -7.497 -9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.487 -9.034 -10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.217 -8.231 -11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.976 -7.106 -11.972 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.739 -8.884 -13.098 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.814 -10.106 -12.448 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.261 -8.107 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.271 -11.023 -14.205 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.947 -11.504 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.118 -8.738 -15.990 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.549 -10.218 -16.768 1.00 0.00 H new ATOM 1018 N ARG A 58 -14.487 -11.492 -9.445 1.00 0.00 N ATOM 1019 CA ARG A 58 -14.604 -12.900 -9.802 1.00 0.00 C ATOM 1020 C ARG A 58 -15.590 -13.629 -8.887 1.00 0.00 C ATOM 1021 O ARG A 58 -15.891 -14.803 -9.100 1.00 0.00 O ATOM 1022 CB ARG A 58 -13.231 -13.571 -9.731 1.00 0.00 C ATOM 1023 CG ARG A 58 -12.718 -14.048 -11.080 1.00 0.00 C ATOM 1024 CD ARG A 58 -12.553 -12.895 -12.057 1.00 0.00 C ATOM 1025 NE ARG A 58 -11.191 -12.809 -12.579 1.00 0.00 N ATOM 1026 CZ ARG A 58 -10.634 -13.738 -13.352 1.00 0.00 C ATOM 1027 NH1 ARG A 58 -11.317 -14.823 -13.696 1.00 0.00 N ATOM 1028 NH2 ARG A 58 -9.390 -13.581 -13.784 1.00 0.00 N ATOM 0 H ARG A 58 -13.636 -11.258 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.986 -12.959 -10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.514 -12.869 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.286 -14.421 -9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.761 -14.553 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.411 -14.780 -11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.251 -13.019 -12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.810 -11.960 -11.560 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.635 -11.989 -12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.275 -14.948 -13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.884 -15.531 -14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.861 -12.749 -13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.962 -14.293 -14.377 1.00 0.00 H new ATOM 1042 N SER A 59 -16.091 -12.930 -7.869 1.00 0.00 N ATOM 1043 CA SER A 59 -17.040 -13.520 -6.930 1.00 0.00 C ATOM 1044 C SER A 59 -18.239 -14.116 -7.662 1.00 0.00 C ATOM 1045 O SER A 59 -18.377 -15.357 -7.655 1.00 0.00 O ATOM 1046 CB SER A 59 -17.515 -12.468 -5.926 1.00 0.00 C ATOM 1047 OG SER A 59 -18.515 -11.638 -6.490 1.00 0.00 O ATOM 1048 OXT SER A 59 -19.028 -13.337 -8.237 1.00 0.00 O ATOM 0 H SER A 59 -15.855 -11.957 -7.675 1.00 0.00 H new ATOM 0 HA SER A 59 -16.530 -14.322 -6.396 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.907 -12.961 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.670 -11.858 -5.607 1.00 0.00 H new ATOM 0 HG SER A 59 -18.647 -11.878 -7.431 1.00 0.00 H new TER 1054 SER A 59