USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= 0.913 K(o=0.81,f=-6.7!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.103 X(o=0.81,f=0.38) USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -0.0872 X(o=-0.31,f=-0.17) USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= -0.0845 F(o=-0.76,f=-0.17) USER MOD Set 3.1: A 21 SER OG : rot 180:sc= 0.898 USER MOD Set 3.2: A 32 SER OG : rot 115:sc= 1.04 USER MOD Set 4.1: A 7 HIS :FLIP no HD1:sc= 0.395 F(o=-0.00073,f=0.86) USER MOD Set 4.2: A 8 SER OG : rot 84:sc= 0.466 USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.000883) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 1.2 (180deg=1.03) USER MOD Single : A 6 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.074) USER MOD Single : A 9 SER OG : rot 160:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -100:sc= 1.03 (180deg=-1.04!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -119:sc= 0.401! USER MOD Single : A 27 ASN : amide:sc= -0.447 K(o=-0.45,f=-2) USER MOD Single : A 33 TYR OH : rot 112:sc= -0.482 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 89:sc= 0.674 USER MOD Single : A 38 ASN : amide:sc= -2.69! C(o=-2.7!,f=-5!) USER MOD Single : A 40 GLN : amide:sc= 1.08 K(o=1.1,f=-0.15) USER MOD Single : A 44 SER OG : rot 180:sc= -0.338 USER MOD Single : A 59 HIS : no HE2:sc= 0.542 K(o=0.54,f=-2.1!) USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 67 MET CE :methyl -116:sc= -0.107 (180deg=-0.474) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.0341 (180deg=-0.235) USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.09) USER MOD Single : A 83 LYS NZ :NH3+ 141:sc= 1.08 (180deg=-2.25!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -137:sc= 0.342 (180deg=-0.00496) USER MOD Single : A 94 SER OG : rot 180:sc= -0.044 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 170:sc= -0.478 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.940 15.435 -2.875 1.00 0.00 N ATOM 2 CA GLY A 1 -29.315 14.130 -3.193 1.00 0.00 C ATOM 3 C GLY A 1 -27.809 14.226 -3.326 1.00 0.00 C ATOM 4 O GLY A 1 -27.225 13.648 -4.243 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.972 15.319 -2.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.574 15.783 -1.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.714 16.120 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.563 13.412 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.735 13.746 -4.123 1.00 0.00 H new ATOM 10 N SER A 2 -27.171 14.965 -2.426 1.00 0.00 N ATOM 11 CA SER A 2 -25.723 15.091 -2.444 1.00 0.00 C ATOM 12 C SER A 2 -25.141 14.598 -1.126 1.00 0.00 C ATOM 13 O SER A 2 -24.191 13.812 -1.115 1.00 0.00 O ATOM 14 CB SER A 2 -25.303 16.541 -2.700 1.00 0.00 C ATOM 15 OG SER A 2 -23.900 16.640 -2.868 1.00 0.00 O ATOM 0 H SER A 2 -27.633 15.483 -1.679 1.00 0.00 H new ATOM 0 HA SER A 2 -25.335 14.477 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.807 16.918 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.618 17.168 -1.866 1.00 0.00 H new ATOM 0 HG SER A 2 -23.655 17.575 -3.032 1.00 0.00 H new ATOM 21 N GLU A 3 -25.723 15.058 -0.018 1.00 0.00 N ATOM 22 CA GLU A 3 -25.325 14.592 1.305 1.00 0.00 C ATOM 23 C GLU A 3 -25.477 13.077 1.381 1.00 0.00 C ATOM 24 O GLU A 3 -24.588 12.368 1.849 1.00 0.00 O ATOM 25 CB GLU A 3 -26.173 15.263 2.390 1.00 0.00 C ATOM 26 CG GLU A 3 -27.669 15.126 2.163 1.00 0.00 C ATOM 27 CD GLU A 3 -28.461 15.219 3.443 1.00 0.00 C ATOM 28 OE1 GLU A 3 -28.552 14.201 4.156 1.00 0.00 O ATOM 29 OE2 GLU A 3 -28.992 16.304 3.745 1.00 0.00 O ATOM 0 H GLU A 3 -26.470 15.752 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 3 -24.281 14.858 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -25.919 14.830 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -25.916 16.321 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -28.001 15.905 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -27.874 14.169 1.682 1.00 0.00 H new ATOM 36 N LYS A 4 -26.616 12.597 0.907 1.00 0.00 N ATOM 37 CA LYS A 4 -26.847 11.179 0.751 1.00 0.00 C ATOM 38 C LYS A 4 -27.083 10.879 -0.720 1.00 0.00 C ATOM 39 O LYS A 4 -28.225 10.761 -1.165 1.00 0.00 O ATOM 40 CB LYS A 4 -28.042 10.712 1.593 1.00 0.00 C ATOM 41 CG LYS A 4 -27.822 10.820 3.095 1.00 0.00 C ATOM 42 CD LYS A 4 -28.942 10.143 3.874 1.00 0.00 C ATOM 43 CE LYS A 4 -30.254 10.913 3.796 1.00 0.00 C ATOM 44 NZ LYS A 4 -30.200 12.184 4.565 1.00 0.00 N ATOM 0 H LYS A 4 -27.401 13.182 0.622 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.970 10.636 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.917 11.302 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -28.266 9.675 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -26.868 10.364 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.762 11.870 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -29.092 9.135 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -28.645 10.042 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -30.486 11.130 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -31.063 10.291 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -31.166 12.540 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -29.746 12.014 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -29.651 12.889 4.033 1.00 0.00 H new ATOM 58 N ARG A 5 -25.987 10.799 -1.472 1.00 0.00 N ATOM 59 CA ARG A 5 -26.039 10.507 -2.901 1.00 0.00 C ATOM 60 C ARG A 5 -26.875 9.254 -3.138 1.00 0.00 C ATOM 61 O ARG A 5 -27.704 9.196 -4.046 1.00 0.00 O ATOM 62 CB ARG A 5 -24.622 10.284 -3.433 1.00 0.00 C ATOM 63 CG ARG A 5 -24.514 10.347 -4.945 1.00 0.00 C ATOM 64 CD ARG A 5 -24.359 11.779 -5.435 1.00 0.00 C ATOM 65 NE ARG A 5 -23.101 12.376 -4.978 1.00 0.00 N ATOM 66 CZ ARG A 5 -21.924 12.180 -5.576 1.00 0.00 C ATOM 67 NH1 ARG A 5 -21.848 11.476 -6.695 1.00 0.00 N ATOM 68 NH2 ARG A 5 -20.824 12.715 -5.068 1.00 0.00 N ATOM 0 H ARG A 5 -25.043 10.934 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 5 -26.493 11.349 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -23.960 11.034 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.266 9.311 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -23.661 9.754 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -25.403 9.902 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -24.395 11.797 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -25.197 12.378 -5.078 1.00 0.00 H new ATOM 0 HE ARG A 5 -23.126 12.977 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -22.693 11.079 -7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.945 11.331 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -20.876 13.278 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.925 12.564 -5.526 1.00 0.00 H new ATOM 82 N GLN A 6 -26.616 8.252 -2.308 1.00 0.00 N ATOM 83 CA GLN A 6 -27.391 7.022 -2.275 1.00 0.00 C ATOM 84 C GLN A 6 -26.848 6.141 -1.163 1.00 0.00 C ATOM 85 O GLN A 6 -27.444 6.022 -0.092 1.00 0.00 O ATOM 86 CB GLN A 6 -27.316 6.282 -3.618 1.00 0.00 C ATOM 87 CG GLN A 6 -28.115 4.987 -3.663 1.00 0.00 C ATOM 88 CD GLN A 6 -29.593 5.199 -3.400 1.00 0.00 C ATOM 89 OE1 GLN A 6 -30.363 5.478 -4.317 1.00 0.00 O ATOM 90 NE2 GLN A 6 -30.007 5.041 -2.151 1.00 0.00 N ATOM 0 H GLN A 6 -25.853 8.272 -1.632 1.00 0.00 H new ATOM 0 HA GLN A 6 -28.438 7.263 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -27.675 6.945 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -26.272 6.060 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -27.988 4.521 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -27.715 4.293 -2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -29.337 4.810 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -30.995 5.151 -1.924 1.00 0.00 H new ATOM 99 N HIS A 7 -25.688 5.566 -1.436 1.00 0.00 N ATOM 100 CA HIS A 7 -24.949 4.748 -0.491 1.00 0.00 C ATOM 101 C HIS A 7 -23.722 4.214 -1.200 1.00 0.00 C ATOM 102 O HIS A 7 -23.826 3.770 -2.343 1.00 0.00 O ATOM 103 CB HIS A 7 -25.799 3.585 0.038 1.00 0.00 C ATOM 104 CG HIS A 7 -25.082 2.705 1.021 1.00 0.00 C ATOM 105 ND1 HIS A 7 -24.704 1.408 0.933 1.00 0.00 N flip ATOM 106 CD2 HIS A 7 -24.653 3.141 2.258 1.00 0.00 C flip ATOM 107 CE1 HIS A 7 -24.057 1.089 2.101 1.00 0.00 C flip ATOM 108 NE2 HIS A 7 -24.040 2.153 2.881 1.00 0.00 N flip ATOM 0 H HIS A 7 -25.225 5.658 -2.340 1.00 0.00 H new ATOM 0 HA HIS A 7 -24.668 5.356 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -26.694 3.988 0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -26.130 2.978 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -24.797 4.135 2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -23.632 0.126 2.342 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -23.623 2.203 3.810 1.00 0.00 H new ATOM 117 N SER A 8 -22.573 4.285 -0.539 1.00 0.00 N ATOM 118 CA SER A 8 -21.326 3.798 -1.113 1.00 0.00 C ATOM 119 C SER A 8 -20.981 4.563 -2.394 1.00 0.00 C ATOM 120 O SER A 8 -21.108 4.041 -3.501 1.00 0.00 O ATOM 121 CB SER A 8 -21.440 2.296 -1.392 1.00 0.00 C ATOM 122 OG SER A 8 -21.841 1.596 -0.224 1.00 0.00 O ATOM 0 H SER A 8 -22.480 4.677 0.398 1.00 0.00 H new ATOM 0 HA SER A 8 -20.520 3.966 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 8 -22.161 2.124 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.481 1.912 -1.740 1.00 0.00 H new ATOM 0 HG SER A 8 -22.817 1.626 -0.143 1.00 0.00 H new ATOM 128 N SER A 9 -20.540 5.804 -2.238 1.00 0.00 N ATOM 129 CA SER A 9 -20.255 6.653 -3.384 1.00 0.00 C ATOM 130 C SER A 9 -18.914 7.377 -3.238 1.00 0.00 C ATOM 131 O SER A 9 -18.493 8.103 -4.139 1.00 0.00 O ATOM 132 CB SER A 9 -21.385 7.672 -3.552 1.00 0.00 C ATOM 133 OG SER A 9 -21.650 8.338 -2.326 1.00 0.00 O ATOM 0 H SER A 9 -20.373 6.243 -1.332 1.00 0.00 H new ATOM 0 HA SER A 9 -20.189 6.019 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.113 8.401 -4.316 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.287 7.168 -3.899 1.00 0.00 H new ATOM 0 HG SER A 9 -22.122 9.178 -2.505 1.00 0.00 H new ATOM 139 N GLN A 10 -18.238 7.186 -2.109 1.00 0.00 N ATOM 140 CA GLN A 10 -16.995 7.908 -1.860 1.00 0.00 C ATOM 141 C GLN A 10 -15.759 7.089 -2.218 1.00 0.00 C ATOM 142 O GLN A 10 -14.635 7.544 -2.006 1.00 0.00 O ATOM 143 CB GLN A 10 -16.928 8.400 -0.414 1.00 0.00 C ATOM 144 CG GLN A 10 -17.950 9.489 -0.128 1.00 0.00 C ATOM 145 CD GLN A 10 -17.874 10.047 1.282 1.00 0.00 C ATOM 146 OE1 GLN A 10 -17.483 9.222 2.239 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 -18.177 11.218 1.509 1.00 0.00 N flip ATOM 0 H GLN A 10 -18.523 6.550 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.998 8.775 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.096 7.561 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.928 8.780 -0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -17.808 10.303 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.950 9.089 -0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.474 11.825 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -18.131 11.581 2.461 1.00 0.00 H new ATOM 156 N ASP A 11 -15.983 5.893 -2.777 1.00 0.00 N ATOM 157 CA ASP A 11 -14.904 5.047 -3.310 1.00 0.00 C ATOM 158 C ASP A 11 -13.757 4.885 -2.313 1.00 0.00 C ATOM 159 O ASP A 11 -13.971 5.002 -1.104 1.00 0.00 O ATOM 160 CB ASP A 11 -14.427 5.653 -4.625 1.00 0.00 C ATOM 161 CG ASP A 11 -15.522 5.631 -5.672 1.00 0.00 C ATOM 162 OD1 ASP A 11 -16.179 4.574 -5.823 1.00 0.00 O ATOM 163 OD2 ASP A 11 -15.737 6.664 -6.338 1.00 0.00 O ATOM 0 H ASP A 11 -16.913 5.485 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.287 4.042 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.102 6.680 -4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.561 5.100 -4.990 1.00 0.00 H new ATOM 168 N VAL A 12 -12.562 4.548 -2.799 1.00 0.00 N ATOM 169 CA VAL A 12 -11.404 4.469 -1.923 1.00 0.00 C ATOM 170 C VAL A 12 -10.084 4.492 -2.699 1.00 0.00 C ATOM 171 O VAL A 12 -9.950 3.891 -3.770 1.00 0.00 O ATOM 172 CB VAL A 12 -11.452 3.203 -1.046 1.00 0.00 C ATOM 173 CG1 VAL A 12 -11.295 1.957 -1.896 1.00 0.00 C ATOM 174 CG2 VAL A 12 -10.396 3.255 0.047 1.00 0.00 C ATOM 0 H VAL A 12 -12.377 4.330 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.445 5.354 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.428 3.163 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.332 1.074 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.103 1.911 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.337 1.989 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.452 2.349 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.407 3.328 -0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.570 4.125 0.680 1.00 0.00 H new ATOM 184 N HIS A 13 -9.129 5.221 -2.155 1.00 0.00 N ATOM 185 CA HIS A 13 -7.753 5.183 -2.619 1.00 0.00 C ATOM 186 C HIS A 13 -6.876 4.545 -1.549 1.00 0.00 C ATOM 187 O HIS A 13 -6.581 5.167 -0.531 1.00 0.00 O ATOM 188 CB HIS A 13 -7.235 6.590 -2.927 1.00 0.00 C ATOM 189 CG HIS A 13 -7.650 7.124 -4.262 1.00 0.00 C ATOM 190 ND1 HIS A 13 -8.872 7.278 -4.823 1.00 0.00 N flip ATOM 191 CD2 HIS A 13 -6.745 7.598 -5.185 1.00 0.00 C flip ATOM 192 CE1 HIS A 13 -8.684 7.840 -6.064 1.00 0.00 C flip ATOM 193 NE2 HIS A 13 -7.391 8.021 -6.254 1.00 0.00 N flip ATOM 0 H HIS A 13 -9.285 5.860 -1.375 1.00 0.00 H new ATOM 0 HA HIS A 13 -7.716 4.595 -3.536 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.586 7.271 -2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.146 6.582 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.673 7.620 -5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.465 8.091 -6.766 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.963 8.421 -7.089 1.00 0.00 H new ATOM 202 N VAL A 14 -6.471 3.307 -1.771 1.00 0.00 N ATOM 203 CA VAL A 14 -5.636 2.602 -0.810 1.00 0.00 C ATOM 204 C VAL A 14 -4.196 2.555 -1.297 1.00 0.00 C ATOM 205 O VAL A 14 -3.929 2.313 -2.473 1.00 0.00 O ATOM 206 CB VAL A 14 -6.138 1.163 -0.524 1.00 0.00 C ATOM 207 CG1 VAL A 14 -7.467 1.189 0.208 1.00 0.00 C ATOM 208 CG2 VAL A 14 -6.268 0.354 -1.804 1.00 0.00 C ATOM 0 H VAL A 14 -6.705 2.769 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.694 3.159 0.125 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.394 0.681 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.798 0.168 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.350 1.714 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.209 1.704 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.622 -0.649 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.979 0.841 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.296 0.289 -2.294 1.00 0.00 H new ATOM 218 N VAL A 15 -3.273 2.809 -0.393 1.00 0.00 N ATOM 219 CA VAL A 15 -1.868 2.846 -0.743 1.00 0.00 C ATOM 220 C VAL A 15 -1.138 1.649 -0.190 1.00 0.00 C ATOM 221 O VAL A 15 -1.231 1.336 0.994 1.00 0.00 O ATOM 222 CB VAL A 15 -1.193 4.144 -0.245 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.358 4.297 1.263 1.00 0.00 C ATOM 224 CG2 VAL A 15 0.277 4.165 -0.629 1.00 0.00 C ATOM 0 H VAL A 15 -3.470 2.993 0.591 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.811 2.822 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.685 4.989 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.875 5.218 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.419 4.336 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.899 3.447 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.734 5.087 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.783 3.310 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.370 4.113 -1.714 1.00 0.00 H new ATOM 234 N LEU A 16 -0.428 0.974 -1.062 1.00 0.00 N ATOM 235 CA LEU A 16 0.401 -0.125 -0.657 1.00 0.00 C ATOM 236 C LEU A 16 1.853 0.312 -0.670 1.00 0.00 C ATOM 237 O LEU A 16 2.345 0.853 -1.656 1.00 0.00 O ATOM 238 CB LEU A 16 0.188 -1.335 -1.569 1.00 0.00 C ATOM 239 CG LEU A 16 0.820 -2.622 -1.057 1.00 0.00 C ATOM 240 CD1 LEU A 16 0.082 -3.840 -1.576 1.00 0.00 C ATOM 241 CD2 LEU A 16 2.288 -2.714 -1.450 1.00 0.00 C ATOM 0 H LEU A 16 -0.411 1.172 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 16 0.127 -0.425 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.883 -1.495 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.597 -1.110 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 16 0.748 -2.600 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.557 -4.743 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.955 -3.806 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.113 -3.847 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.709 -3.644 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.376 -2.694 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.832 -1.870 -1.026 1.00 0.00 H new ATOM 253 N LYS A 17 2.527 0.087 0.433 1.00 0.00 N ATOM 254 CA LYS A 17 3.914 0.466 0.561 1.00 0.00 C ATOM 255 C LYS A 17 4.792 -0.775 0.596 1.00 0.00 C ATOM 256 O LYS A 17 4.464 -1.758 1.262 1.00 0.00 O ATOM 257 CB LYS A 17 4.112 1.314 1.812 1.00 0.00 C ATOM 258 CG LYS A 17 3.212 2.531 1.849 1.00 0.00 C ATOM 259 CD LYS A 17 3.361 3.268 3.155 1.00 0.00 C ATOM 260 CE LYS A 17 2.522 4.535 3.170 1.00 0.00 C ATOM 261 NZ LYS A 17 3.014 5.561 2.216 1.00 0.00 N ATOM 0 H LYS A 17 2.133 -0.360 1.261 1.00 0.00 H new ATOM 0 HA LYS A 17 4.204 1.064 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.922 0.701 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.152 1.636 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.458 3.196 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.174 2.226 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.060 2.620 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.409 3.521 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.489 4.285 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.520 4.953 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.571 6.273 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.611 5.107 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.204 6.022 1.754 1.00 0.00 H new ATOM 275 N LEU A 18 5.908 -0.704 -0.106 1.00 0.00 N ATOM 276 CA LEU A 18 6.842 -1.810 -0.208 1.00 0.00 C ATOM 277 C LEU A 18 7.984 -1.570 0.758 1.00 0.00 C ATOM 278 O LEU A 18 8.648 -0.532 0.708 1.00 0.00 O ATOM 279 CB LEU A 18 7.361 -1.895 -1.657 1.00 0.00 C ATOM 280 CG LEU A 18 8.825 -2.334 -1.853 1.00 0.00 C ATOM 281 CD1 LEU A 18 9.033 -3.804 -1.538 1.00 0.00 C ATOM 282 CD2 LEU A 18 9.275 -2.040 -3.271 1.00 0.00 C ATOM 0 H LEU A 18 6.193 0.127 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 18 6.355 -2.752 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.723 -2.589 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.237 -0.916 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 18 9.429 -1.761 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.080 -4.064 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.759 -3.996 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.409 -4.409 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.311 -2.355 -3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.643 -2.583 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.195 -0.970 -3.464 1.00 0.00 H new ATOM 294 N TRP A 19 8.173 -2.511 1.659 1.00 0.00 N ATOM 295 CA TRP A 19 9.182 -2.400 2.687 1.00 0.00 C ATOM 296 C TRP A 19 10.263 -3.443 2.457 1.00 0.00 C ATOM 297 O TRP A 19 10.148 -4.266 1.553 1.00 0.00 O ATOM 298 CB TRP A 19 8.552 -2.608 4.058 1.00 0.00 C ATOM 299 CG TRP A 19 7.292 -1.833 4.285 1.00 0.00 C ATOM 300 CD1 TRP A 19 6.036 -2.345 4.365 1.00 0.00 C ATOM 301 CD2 TRP A 19 7.159 -0.421 4.457 1.00 0.00 C ATOM 302 NE1 TRP A 19 5.140 -1.353 4.648 1.00 0.00 N ATOM 303 CE2 TRP A 19 5.800 -0.164 4.697 1.00 0.00 C ATOM 304 CE3 TRP A 19 8.050 0.647 4.450 1.00 0.00 C ATOM 305 CZ2 TRP A 19 5.313 1.110 4.936 1.00 0.00 C ATOM 306 CZ3 TRP A 19 7.560 1.921 4.675 1.00 0.00 C ATOM 307 CH2 TRP A 19 6.204 2.141 4.921 1.00 0.00 C ATOM 0 H TRP A 19 7.631 -3.374 1.698 1.00 0.00 H new ATOM 0 HA TRP A 19 9.625 -1.405 2.646 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.340 -3.669 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.277 -2.331 4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.783 -3.385 4.225 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.139 -1.483 4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.103 0.485 4.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.264 1.281 5.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.239 2.761 4.660 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.854 3.147 5.103 1.00 0.00 H new ATOM 318 N LYS A 20 11.310 -3.419 3.270 1.00 0.00 N ATOM 319 CA LYS A 20 12.397 -4.372 3.103 1.00 0.00 C ATOM 320 C LYS A 20 12.016 -5.750 3.622 1.00 0.00 C ATOM 321 O LYS A 20 12.667 -6.745 3.312 1.00 0.00 O ATOM 322 CB LYS A 20 13.697 -3.869 3.753 1.00 0.00 C ATOM 323 CG LYS A 20 13.560 -3.313 5.172 1.00 0.00 C ATOM 324 CD LYS A 20 13.284 -4.393 6.208 1.00 0.00 C ATOM 325 CE LYS A 20 13.474 -3.858 7.618 1.00 0.00 C ATOM 326 NZ LYS A 20 13.053 -4.841 8.651 1.00 0.00 N ATOM 0 H LYS A 20 11.429 -2.761 4.040 1.00 0.00 H new ATOM 0 HA LYS A 20 12.582 -4.464 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.413 -4.691 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.121 -3.092 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.475 -2.785 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.752 -2.581 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.266 -4.763 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.952 -5.239 6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.522 -3.600 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.900 -2.939 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.200 -4.435 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.046 -5.068 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.618 -5.709 8.555 1.00 0.00 H new ATOM 340 N SER A 21 10.953 -5.801 4.397 1.00 0.00 N ATOM 341 CA SER A 21 10.463 -7.056 4.919 1.00 0.00 C ATOM 342 C SER A 21 8.950 -7.001 5.054 1.00 0.00 C ATOM 343 O SER A 21 8.409 -7.119 6.152 1.00 0.00 O ATOM 344 CB SER A 21 11.117 -7.365 6.270 1.00 0.00 C ATOM 345 OG SER A 21 10.813 -8.680 6.705 1.00 0.00 O ATOM 0 H SER A 21 10.411 -4.984 4.679 1.00 0.00 H new ATOM 0 HA SER A 21 10.724 -7.856 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.198 -7.248 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.775 -6.646 7.014 1.00 0.00 H new ATOM 0 HG SER A 21 11.245 -8.847 7.568 1.00 0.00 H new ATOM 351 N GLY A 22 8.274 -6.780 3.935 1.00 0.00 N ATOM 352 CA GLY A 22 6.828 -6.816 3.932 1.00 0.00 C ATOM 353 C GLY A 22 6.205 -5.634 3.227 1.00 0.00 C ATOM 354 O GLY A 22 6.905 -4.824 2.626 1.00 0.00 O ATOM 0 H GLY A 22 8.701 -6.577 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.495 -7.735 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.470 -6.847 4.961 1.00 0.00 H new ATOM 358 N PHE A 23 4.885 -5.550 3.289 1.00 0.00 N ATOM 359 CA PHE A 23 4.149 -4.452 2.680 1.00 0.00 C ATOM 360 C PHE A 23 3.000 -4.034 3.590 1.00 0.00 C ATOM 361 O PHE A 23 2.543 -4.819 4.425 1.00 0.00 O ATOM 362 CB PHE A 23 3.610 -4.857 1.300 1.00 0.00 C ATOM 363 CG PHE A 23 2.572 -5.938 1.352 1.00 0.00 C ATOM 364 CD1 PHE A 23 2.934 -7.267 1.476 1.00 0.00 C ATOM 365 CD2 PHE A 23 1.227 -5.616 1.292 1.00 0.00 C ATOM 366 CE1 PHE A 23 1.976 -8.254 1.529 1.00 0.00 C ATOM 367 CE2 PHE A 23 0.265 -6.600 1.344 1.00 0.00 C ATOM 368 CZ PHE A 23 0.640 -7.920 1.466 1.00 0.00 C ATOM 0 H PHE A 23 4.296 -6.237 3.760 1.00 0.00 H new ATOM 0 HA PHE A 23 4.828 -3.609 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.184 -3.979 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.441 -5.193 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.979 -7.533 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.929 -4.582 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.271 -9.289 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.781 -6.337 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.113 -8.693 1.512 1.00 0.00 H new ATOM 378 N SER A 24 2.557 -2.799 3.440 1.00 0.00 N ATOM 379 CA SER A 24 1.418 -2.295 4.195 1.00 0.00 C ATOM 380 C SER A 24 0.474 -1.564 3.266 1.00 0.00 C ATOM 381 O SER A 24 0.871 -1.136 2.186 1.00 0.00 O ATOM 382 CB SER A 24 1.883 -1.352 5.298 1.00 0.00 C ATOM 383 OG SER A 24 2.541 -0.224 4.754 1.00 0.00 O ATOM 0 H SER A 24 2.970 -2.121 2.799 1.00 0.00 H new ATOM 0 HA SER A 24 0.901 -3.139 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.027 -1.028 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.556 -1.880 5.973 1.00 0.00 H new ATOM 0 HG SER A 24 3.466 -0.198 5.077 1.00 0.00 H new ATOM 389 N LEU A 25 -0.762 -1.406 3.692 1.00 0.00 N ATOM 390 CA LEU A 25 -1.766 -0.768 2.867 1.00 0.00 C ATOM 391 C LEU A 25 -2.497 0.290 3.672 1.00 0.00 C ATOM 392 O LEU A 25 -2.190 0.503 4.844 1.00 0.00 O ATOM 393 CB LEU A 25 -2.773 -1.794 2.325 1.00 0.00 C ATOM 394 CG LEU A 25 -2.180 -3.108 1.802 1.00 0.00 C ATOM 395 CD1 LEU A 25 -1.956 -4.095 2.942 1.00 0.00 C ATOM 396 CD2 LEU A 25 -3.082 -3.714 0.741 1.00 0.00 C ATOM 0 H LEU A 25 -1.096 -1.711 4.606 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.263 -0.302 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.484 -2.029 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.338 -1.327 1.518 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.213 -2.888 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.535 -5.019 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.266 -3.663 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.907 -4.309 3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.645 -4.646 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.064 -3.915 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.185 -3.017 -0.091 1.00 0.00 H new ATOM 408 N ASP A 26 -3.457 0.952 3.047 1.00 0.00 N ATOM 409 CA ASP A 26 -4.280 1.937 3.742 1.00 0.00 C ATOM 410 C ASP A 26 -5.053 1.255 4.867 1.00 0.00 C ATOM 411 O ASP A 26 -5.271 1.829 5.933 1.00 0.00 O ATOM 412 CB ASP A 26 -5.245 2.605 2.754 1.00 0.00 C ATOM 413 CG ASP A 26 -6.030 3.753 3.362 1.00 0.00 C ATOM 414 OD1 ASP A 26 -5.478 4.870 3.456 1.00 0.00 O ATOM 415 OD2 ASP A 26 -7.205 3.559 3.722 1.00 0.00 O ATOM 0 H ASP A 26 -3.688 0.828 2.061 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.639 2.707 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.680 2.974 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.942 1.857 2.377 1.00 0.00 H new ATOM 420 N ASN A 27 -5.407 -0.001 4.624 1.00 0.00 N ATOM 421 CA ASN A 27 -6.215 -0.787 5.549 1.00 0.00 C ATOM 422 C ASN A 27 -5.373 -1.527 6.590 1.00 0.00 C ATOM 423 O ASN A 27 -5.808 -1.706 7.726 1.00 0.00 O ATOM 424 CB ASN A 27 -7.049 -1.810 4.761 1.00 0.00 C ATOM 425 CG ASN A 27 -6.186 -2.633 3.815 1.00 0.00 C ATOM 426 OD1 ASN A 27 -6.006 -2.270 2.656 1.00 0.00 O ATOM 427 ND2 ASN A 27 -5.632 -3.736 4.305 1.00 0.00 N ATOM 0 H ASN A 27 -5.141 -0.505 3.778 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.859 -0.088 6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.561 -2.474 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.819 -1.290 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.034 -4.313 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.804 -4.006 5.273 1.00 0.00 H new ATOM 434 N GLY A 28 -4.176 -1.961 6.208 1.00 0.00 N ATOM 435 CA GLY A 28 -3.421 -2.859 7.061 1.00 0.00 C ATOM 436 C GLY A 28 -1.974 -2.457 7.232 1.00 0.00 C ATOM 437 O GLY A 28 -1.427 -1.702 6.426 1.00 0.00 O ATOM 0 H GLY A 28 -3.719 -1.710 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.896 -2.901 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.463 -3.865 6.643 1.00 0.00 H new ATOM 441 N GLU A 29 -1.353 -2.982 8.277 1.00 0.00 N ATOM 442 CA GLU A 29 0.024 -2.651 8.608 1.00 0.00 C ATOM 443 C GLU A 29 1.013 -3.496 7.809 1.00 0.00 C ATOM 444 O GLU A 29 0.624 -4.268 6.934 1.00 0.00 O ATOM 445 CB GLU A 29 0.267 -2.843 10.105 1.00 0.00 C ATOM 446 CG GLU A 29 -0.563 -1.916 10.976 1.00 0.00 C ATOM 447 CD GLU A 29 -0.374 -2.181 12.453 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.749 -1.975 12.960 1.00 0.00 O ATOM 449 OE2 GLU A 29 -1.353 -2.583 13.119 1.00 0.00 O ATOM 0 H GLU A 29 -1.787 -3.647 8.917 1.00 0.00 H new ATOM 0 HA GLU A 29 0.185 -1.606 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.044 -3.876 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.323 -2.680 10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.294 -0.882 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.617 -2.031 10.722 1.00 0.00 H new ATOM 456 N LEU A 30 2.292 -3.332 8.124 1.00 0.00 N ATOM 457 CA LEU A 30 3.368 -4.027 7.433 1.00 0.00 C ATOM 458 C LEU A 30 3.336 -5.515 7.782 1.00 0.00 C ATOM 459 O LEU A 30 3.475 -5.896 8.945 1.00 0.00 O ATOM 460 CB LEU A 30 4.721 -3.377 7.821 1.00 0.00 C ATOM 461 CG LEU A 30 5.986 -3.817 7.047 1.00 0.00 C ATOM 462 CD1 LEU A 30 7.220 -3.106 7.548 1.00 0.00 C ATOM 463 CD2 LEU A 30 6.232 -5.294 7.126 1.00 0.00 C ATOM 0 H LEU A 30 2.612 -2.712 8.868 1.00 0.00 H new ATOM 0 HA LEU A 30 3.241 -3.940 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.618 -2.298 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.893 -3.571 8.880 1.00 0.00 H new ATOM 0 HG LEU A 30 5.794 -3.547 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.088 -3.441 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.097 -2.030 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.367 -3.333 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.132 -5.543 6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.362 -5.586 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.381 -5.828 6.703 1.00 0.00 H new ATOM 475 N ARG A 31 3.136 -6.340 6.766 1.00 0.00 N ATOM 476 CA ARG A 31 3.213 -7.785 6.914 1.00 0.00 C ATOM 477 C ARG A 31 4.291 -8.313 5.972 1.00 0.00 C ATOM 478 O ARG A 31 4.261 -8.022 4.776 1.00 0.00 O ATOM 479 CB ARG A 31 1.862 -8.431 6.600 1.00 0.00 C ATOM 480 CG ARG A 31 0.676 -7.668 7.167 1.00 0.00 C ATOM 481 CD ARG A 31 -0.634 -8.405 6.939 1.00 0.00 C ATOM 482 NE ARG A 31 -0.813 -9.518 7.872 1.00 0.00 N ATOM 483 CZ ARG A 31 -1.997 -10.049 8.176 1.00 0.00 C ATOM 484 NH1 ARG A 31 -3.105 -9.561 7.625 1.00 0.00 N ATOM 485 NH2 ARG A 31 -2.074 -11.060 9.037 1.00 0.00 N ATOM 0 H ARG A 31 2.917 -6.029 5.820 1.00 0.00 H new ATOM 0 HA ARG A 31 3.469 -8.036 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.749 -8.510 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.853 -9.446 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.823 -7.511 8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.623 -6.683 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.465 -7.707 7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.663 -8.782 5.917 1.00 0.00 H new ATOM 0 HE ARG A 31 0.017 -9.911 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.048 -8.781 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.011 -9.967 7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.226 -11.430 9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.981 -11.465 9.268 1.00 0.00 H new ATOM 499 N SER A 32 5.241 -9.068 6.513 1.00 0.00 N ATOM 500 CA SER A 32 6.431 -9.464 5.763 1.00 0.00 C ATOM 501 C SER A 32 6.100 -10.487 4.681 1.00 0.00 C ATOM 502 O SER A 32 5.273 -11.373 4.877 1.00 0.00 O ATOM 503 CB SER A 32 7.515 -10.006 6.703 1.00 0.00 C ATOM 504 OG SER A 32 8.681 -10.371 5.983 1.00 0.00 O ATOM 0 H SER A 32 5.211 -9.419 7.470 1.00 0.00 H new ATOM 0 HA SER A 32 6.816 -8.572 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.766 -9.250 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.132 -10.872 7.244 1.00 0.00 H new ATOM 0 HG SER A 32 9.424 -9.790 6.247 1.00 0.00 H new ATOM 510 N TYR A 33 6.797 -10.364 3.550 1.00 0.00 N ATOM 511 CA TYR A 33 6.500 -11.126 2.332 1.00 0.00 C ATOM 512 C TYR A 33 6.627 -12.639 2.523 1.00 0.00 C ATOM 513 O TYR A 33 6.247 -13.412 1.640 1.00 0.00 O ATOM 514 CB TYR A 33 7.433 -10.682 1.200 1.00 0.00 C ATOM 515 CG TYR A 33 7.270 -9.234 0.792 1.00 0.00 C ATOM 516 CD1 TYR A 33 6.067 -8.777 0.278 1.00 0.00 C ATOM 517 CD2 TYR A 33 8.317 -8.325 0.923 1.00 0.00 C ATOM 518 CE1 TYR A 33 5.906 -7.461 -0.097 1.00 0.00 C ATOM 519 CE2 TYR A 33 8.163 -7.001 0.549 1.00 0.00 C ATOM 520 CZ TYR A 33 6.951 -6.577 0.042 1.00 0.00 C ATOM 521 OH TYR A 33 6.777 -5.266 -0.321 1.00 0.00 O ATOM 0 H TYR A 33 7.589 -9.729 3.451 1.00 0.00 H new ATOM 0 HA TYR A 33 5.460 -10.917 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.465 -10.846 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.257 -11.315 0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.241 -9.464 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.264 -8.658 1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.962 -7.124 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.983 -6.306 0.653 1.00 0.00 H new ATOM 0 HH TYR A 33 6.791 -4.700 0.479 1.00 0.00 H new ATOM 531 N GLN A 34 7.170 -13.060 3.655 1.00 0.00 N ATOM 532 CA GLN A 34 7.344 -14.479 3.933 1.00 0.00 C ATOM 533 C GLN A 34 6.130 -15.036 4.670 1.00 0.00 C ATOM 534 O GLN A 34 5.836 -16.229 4.594 1.00 0.00 O ATOM 535 CB GLN A 34 8.608 -14.704 4.759 1.00 0.00 C ATOM 536 CG GLN A 34 9.853 -14.088 4.137 1.00 0.00 C ATOM 537 CD GLN A 34 11.134 -14.593 4.766 1.00 0.00 C ATOM 538 OE1 GLN A 34 11.615 -14.047 5.758 1.00 0.00 O ATOM 539 NE2 GLN A 34 11.705 -15.633 4.183 1.00 0.00 N ATOM 0 H GLN A 34 7.498 -12.441 4.396 1.00 0.00 H new ATOM 0 HA GLN A 34 7.443 -15.005 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.462 -14.284 5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.765 -15.775 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.867 -14.307 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.806 -13.004 4.239 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.274 -16.057 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.577 -16.011 4.554 1.00 0.00 H new ATOM 548 N ASP A 35 5.440 -14.159 5.385 1.00 0.00 N ATOM 549 CA ASP A 35 4.233 -14.524 6.121 1.00 0.00 C ATOM 550 C ASP A 35 3.109 -14.950 5.173 1.00 0.00 C ATOM 551 O ASP A 35 2.776 -14.239 4.224 1.00 0.00 O ATOM 552 CB ASP A 35 3.779 -13.346 6.986 1.00 0.00 C ATOM 553 CG ASP A 35 2.369 -13.501 7.515 1.00 0.00 C ATOM 554 OD1 ASP A 35 2.128 -14.399 8.351 1.00 0.00 O ATOM 555 OD2 ASP A 35 1.491 -12.724 7.088 1.00 0.00 O ATOM 0 H ASP A 35 5.698 -13.176 5.473 1.00 0.00 H new ATOM 0 HA ASP A 35 4.467 -15.375 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.465 -13.235 7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.841 -12.429 6.400 1.00 0.00 H new ATOM 560 N PRO A 36 2.507 -16.126 5.416 1.00 0.00 N ATOM 561 CA PRO A 36 1.441 -16.664 4.573 1.00 0.00 C ATOM 562 C PRO A 36 0.072 -16.032 4.846 1.00 0.00 C ATOM 563 O PRO A 36 -0.942 -16.496 4.324 1.00 0.00 O ATOM 564 CB PRO A 36 1.410 -18.161 4.927 1.00 0.00 C ATOM 565 CG PRO A 36 2.520 -18.386 5.905 1.00 0.00 C ATOM 566 CD PRO A 36 2.834 -17.049 6.508 1.00 0.00 C ATOM 0 HA PRO A 36 1.638 -16.458 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.449 -18.438 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.547 -18.774 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.221 -19.098 6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.396 -18.803 5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.235 -16.854 7.398 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.880 -16.973 6.805 1.00 0.00 H new ATOM 574 N SER A 37 0.035 -14.981 5.654 1.00 0.00 N ATOM 575 CA SER A 37 -1.223 -14.316 5.965 1.00 0.00 C ATOM 576 C SER A 37 -1.430 -13.115 5.050 1.00 0.00 C ATOM 577 O SER A 37 -2.555 -12.781 4.687 1.00 0.00 O ATOM 578 CB SER A 37 -1.239 -13.876 7.426 1.00 0.00 C ATOM 579 OG SER A 37 -0.749 -14.906 8.270 1.00 0.00 O ATOM 0 H SER A 37 0.855 -14.573 6.103 1.00 0.00 H new ATOM 0 HA SER A 37 -2.038 -15.021 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.630 -12.980 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.255 -13.612 7.720 1.00 0.00 H new ATOM 0 HG SER A 37 0.223 -14.818 8.363 1.00 0.00 H new ATOM 585 N ASN A 38 -0.336 -12.465 4.682 1.00 0.00 N ATOM 586 CA ASN A 38 -0.391 -11.386 3.705 1.00 0.00 C ATOM 587 C ASN A 38 -0.213 -11.950 2.311 1.00 0.00 C ATOM 588 O ASN A 38 -0.475 -11.279 1.313 1.00 0.00 O ATOM 589 CB ASN A 38 0.681 -10.340 3.975 1.00 0.00 C ATOM 590 CG ASN A 38 2.087 -10.881 3.841 1.00 0.00 C ATOM 591 OD1 ASN A 38 2.655 -10.918 2.753 1.00 0.00 O ATOM 592 ND2 ASN A 38 2.660 -11.287 4.952 1.00 0.00 N ATOM 0 H ASN A 38 0.597 -12.664 5.043 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.365 -10.903 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.551 -9.508 3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.546 -9.942 4.981 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.613 -11.650 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.152 -11.239 5.835 1.00 0.00 H new ATOM 599 N ALA A 39 0.253 -13.188 2.269 1.00 0.00 N ATOM 600 CA ALA A 39 0.400 -13.935 1.019 1.00 0.00 C ATOM 601 C ALA A 39 -0.840 -13.825 0.128 1.00 0.00 C ATOM 602 O ALA A 39 -0.720 -13.760 -1.098 1.00 0.00 O ATOM 603 CB ALA A 39 0.704 -15.394 1.314 1.00 0.00 C ATOM 0 H ALA A 39 0.541 -13.708 3.098 1.00 0.00 H new ATOM 0 HA ALA A 39 1.233 -13.492 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.811 -15.940 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.631 -15.465 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.112 -15.826 1.894 1.00 0.00 H new ATOM 609 N GLN A 40 -2.027 -13.808 0.741 1.00 0.00 N ATOM 610 CA GLN A 40 -3.273 -13.613 -0.002 1.00 0.00 C ATOM 611 C GLN A 40 -3.204 -12.360 -0.863 1.00 0.00 C ATOM 612 O GLN A 40 -3.378 -12.417 -2.081 1.00 0.00 O ATOM 613 CB GLN A 40 -4.467 -13.483 0.940 1.00 0.00 C ATOM 614 CG GLN A 40 -4.258 -12.524 2.091 1.00 0.00 C ATOM 615 CD GLN A 40 -5.486 -11.672 2.349 1.00 0.00 C ATOM 616 OE1 GLN A 40 -6.358 -12.041 3.132 1.00 0.00 O ATOM 617 NE2 GLN A 40 -5.569 -10.536 1.666 1.00 0.00 N ATOM 0 H GLN A 40 -2.150 -13.927 1.747 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.402 -14.491 -0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.333 -13.157 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.704 -14.468 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.011 -13.086 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.407 -11.878 1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.820 -10.270 1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.381 -9.930 1.781 1.00 0.00 H new ATOM 626 N PHE A 41 -3.004 -11.233 -0.190 1.00 0.00 N ATOM 627 CA PHE A 41 -2.765 -9.946 -0.839 1.00 0.00 C ATOM 628 C PHE A 41 -1.791 -10.106 -1.991 1.00 0.00 C ATOM 629 O PHE A 41 -2.137 -9.866 -3.142 1.00 0.00 O ATOM 630 CB PHE A 41 -2.154 -8.930 0.129 1.00 0.00 C ATOM 631 CG PHE A 41 -2.982 -8.559 1.322 1.00 0.00 C ATOM 632 CD1 PHE A 41 -4.028 -7.664 1.207 1.00 0.00 C ATOM 633 CD2 PHE A 41 -2.676 -9.070 2.573 1.00 0.00 C ATOM 634 CE1 PHE A 41 -4.754 -7.288 2.316 1.00 0.00 C ATOM 635 CE2 PHE A 41 -3.403 -8.704 3.685 1.00 0.00 C ATOM 636 CZ PHE A 41 -4.442 -7.809 3.556 1.00 0.00 C ATOM 0 H PHE A 41 -3.003 -11.184 0.829 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.734 -9.590 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.203 -9.327 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.931 -8.020 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.279 -7.255 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.856 -9.765 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.568 -6.585 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.159 -9.117 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.012 -7.515 4.425 1.00 0.00 H new ATOM 646 N LEU A 42 -0.576 -10.530 -1.651 1.00 0.00 N ATOM 647 CA LEU A 42 0.509 -10.680 -2.617 1.00 0.00 C ATOM 648 C LEU A 42 0.053 -11.418 -3.864 1.00 0.00 C ATOM 649 O LEU A 42 0.274 -10.953 -4.980 1.00 0.00 O ATOM 650 CB LEU A 42 1.684 -11.423 -1.983 1.00 0.00 C ATOM 651 CG LEU A 42 2.506 -10.610 -0.988 1.00 0.00 C ATOM 652 CD1 LEU A 42 3.588 -11.474 -0.366 1.00 0.00 C ATOM 653 CD2 LEU A 42 3.122 -9.401 -1.674 1.00 0.00 C ATOM 0 H LEU A 42 -0.316 -10.779 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 42 0.825 -9.679 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.302 -12.309 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.345 -11.770 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 42 1.845 -10.259 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.166 -10.880 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.128 -12.314 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.248 -11.850 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.706 -8.831 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.772 -9.734 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.331 -8.771 -2.080 1.00 0.00 H new ATOM 665 N GLU A 43 -0.603 -12.549 -3.659 1.00 0.00 N ATOM 666 CA GLU A 43 -1.073 -13.383 -4.754 1.00 0.00 C ATOM 667 C GLU A 43 -2.145 -12.661 -5.560 1.00 0.00 C ATOM 668 O GLU A 43 -2.041 -12.537 -6.777 1.00 0.00 O ATOM 669 CB GLU A 43 -1.624 -14.704 -4.212 1.00 0.00 C ATOM 670 CG GLU A 43 -2.068 -15.668 -5.303 1.00 0.00 C ATOM 671 CD GLU A 43 -2.444 -17.036 -4.769 1.00 0.00 C ATOM 672 OE1 GLU A 43 -1.802 -17.501 -3.804 1.00 0.00 O ATOM 673 OE2 GLU A 43 -3.377 -17.660 -5.320 1.00 0.00 O ATOM 0 H GLU A 43 -0.824 -12.914 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.230 -13.593 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.859 -15.185 -3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.469 -14.495 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.922 -15.243 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.265 -15.777 -6.032 1.00 0.00 H new ATOM 680 N SER A 44 -3.159 -12.170 -4.865 1.00 0.00 N ATOM 681 CA SER A 44 -4.277 -11.495 -5.507 1.00 0.00 C ATOM 682 C SER A 44 -3.799 -10.267 -6.281 1.00 0.00 C ATOM 683 O SER A 44 -4.211 -10.039 -7.418 1.00 0.00 O ATOM 684 CB SER A 44 -5.310 -11.089 -4.451 1.00 0.00 C ATOM 685 OG SER A 44 -6.505 -10.620 -5.047 1.00 0.00 O ATOM 0 H SER A 44 -3.231 -12.227 -3.849 1.00 0.00 H new ATOM 0 HA SER A 44 -4.739 -12.182 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.532 -11.943 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.892 -10.312 -3.812 1.00 0.00 H new ATOM 0 HG SER A 44 -7.144 -10.370 -4.347 1.00 0.00 H new ATOM 691 N ILE A 45 -2.901 -9.502 -5.674 1.00 0.00 N ATOM 692 CA ILE A 45 -2.405 -8.268 -6.274 1.00 0.00 C ATOM 693 C ILE A 45 -1.456 -8.592 -7.429 1.00 0.00 C ATOM 694 O ILE A 45 -1.330 -7.831 -8.388 1.00 0.00 O ATOM 695 CB ILE A 45 -1.697 -7.394 -5.210 1.00 0.00 C ATOM 696 CG1 ILE A 45 -2.667 -7.056 -4.074 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.154 -6.116 -5.823 1.00 0.00 C ATOM 698 CD1 ILE A 45 -2.019 -6.325 -2.917 1.00 0.00 C ATOM 0 H ILE A 45 -2.499 -9.715 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.250 -7.703 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.858 -7.964 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.478 -6.444 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.115 -7.978 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.662 -5.523 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.435 -6.364 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.974 -5.542 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.767 -6.120 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.227 -6.943 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.595 -5.385 -3.272 1.00 0.00 H new ATOM 710 N ARG A 46 -0.816 -9.746 -7.332 1.00 0.00 N ATOM 711 CA ARG A 46 0.030 -10.263 -8.398 1.00 0.00 C ATOM 712 C ARG A 46 -0.827 -10.660 -9.597 1.00 0.00 C ATOM 713 O ARG A 46 -0.499 -10.352 -10.744 1.00 0.00 O ATOM 714 CB ARG A 46 0.803 -11.471 -7.874 1.00 0.00 C ATOM 715 CG ARG A 46 1.693 -12.153 -8.891 1.00 0.00 C ATOM 716 CD ARG A 46 2.318 -13.395 -8.287 1.00 0.00 C ATOM 717 NE ARG A 46 3.198 -14.090 -9.218 1.00 0.00 N ATOM 718 CZ ARG A 46 3.856 -15.204 -8.913 1.00 0.00 C ATOM 719 NH1 ARG A 46 3.717 -15.753 -7.710 1.00 0.00 N ATOM 720 NH2 ARG A 46 4.644 -15.771 -9.815 1.00 0.00 N ATOM 0 H ARG A 46 -0.868 -10.351 -6.513 1.00 0.00 H new ATOM 0 HA ARG A 46 0.733 -9.494 -8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.417 -11.152 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.090 -12.201 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.111 -12.421 -9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.474 -11.467 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.883 -13.117 -7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.529 -14.074 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 46 3.315 -13.701 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.105 -15.319 -7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.223 -16.608 -7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.744 -15.353 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.150 -16.626 -9.584 1.00 0.00 H new ATOM 734 N ARG A 47 -1.924 -11.355 -9.310 1.00 0.00 N ATOM 735 CA ARG A 47 -2.886 -11.757 -10.327 1.00 0.00 C ATOM 736 C ARG A 47 -3.558 -10.550 -10.978 1.00 0.00 C ATOM 737 O ARG A 47 -3.856 -10.561 -12.173 1.00 0.00 O ATOM 738 CB ARG A 47 -3.953 -12.658 -9.705 1.00 0.00 C ATOM 739 CG ARG A 47 -3.392 -13.929 -9.092 1.00 0.00 C ATOM 740 CD ARG A 47 -2.592 -14.710 -10.111 1.00 0.00 C ATOM 741 NE ARG A 47 -3.436 -15.189 -11.202 1.00 0.00 N ATOM 742 CZ ARG A 47 -3.090 -15.159 -12.487 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.913 -14.668 -12.855 1.00 0.00 N ATOM 744 NH2 ARG A 47 -3.930 -15.614 -13.402 1.00 0.00 N ATOM 0 H ARG A 47 -2.169 -11.654 -8.366 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.342 -12.300 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.486 -12.098 -8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.683 -12.924 -10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.759 -13.679 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.207 -14.546 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.799 -14.079 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.109 -15.557 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.351 -15.572 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.267 -14.311 -12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.655 -14.648 -13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.838 -15.985 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.670 -15.593 -14.388 1.00 0.00 H new ATOM 758 N GLY A 48 -3.797 -9.515 -10.184 1.00 0.00 N ATOM 759 CA GLY A 48 -4.493 -8.340 -10.677 1.00 0.00 C ATOM 760 C GLY A 48 -5.865 -8.209 -10.052 1.00 0.00 C ATOM 761 O GLY A 48 -6.677 -7.376 -10.460 1.00 0.00 O ATOM 0 H GLY A 48 -3.521 -9.467 -9.203 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.905 -7.448 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.589 -8.400 -11.761 1.00 0.00 H new ATOM 765 N GLU A 49 -6.117 -9.043 -9.057 1.00 0.00 N ATOM 766 CA GLU A 49 -7.385 -9.055 -8.359 1.00 0.00 C ATOM 767 C GLU A 49 -7.293 -8.225 -7.089 1.00 0.00 C ATOM 768 O GLU A 49 -6.200 -7.886 -6.633 1.00 0.00 O ATOM 769 CB GLU A 49 -7.765 -10.480 -7.999 1.00 0.00 C ATOM 770 CG GLU A 49 -7.959 -11.392 -9.193 1.00 0.00 C ATOM 771 CD GLU A 49 -8.185 -12.825 -8.769 1.00 0.00 C ATOM 772 OE1 GLU A 49 -9.074 -13.063 -7.926 1.00 0.00 O ATOM 773 OE2 GLU A 49 -7.456 -13.718 -9.250 1.00 0.00 O ATOM 0 H GLU A 49 -5.446 -9.730 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.146 -8.629 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.990 -10.900 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.686 -10.462 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.810 -11.047 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.083 -11.337 -9.839 1.00 0.00 H new ATOM 780 N VAL A 50 -8.436 -7.920 -6.506 1.00 0.00 N ATOM 781 CA VAL A 50 -8.479 -7.084 -5.326 1.00 0.00 C ATOM 782 C VAL A 50 -8.666 -7.904 -4.048 1.00 0.00 C ATOM 783 O VAL A 50 -9.606 -8.694 -3.923 1.00 0.00 O ATOM 784 CB VAL A 50 -9.594 -6.024 -5.442 1.00 0.00 C ATOM 785 CG1 VAL A 50 -10.969 -6.666 -5.543 1.00 0.00 C ATOM 786 CG2 VAL A 50 -9.535 -5.054 -4.275 1.00 0.00 C ATOM 0 H VAL A 50 -9.348 -8.240 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.515 -6.579 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.425 -5.466 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.729 -5.888 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.009 -7.304 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.157 -7.266 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.330 -4.315 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.664 -5.600 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.569 -4.550 -4.270 1.00 0.00 H new ATOM 796 N PRO A 51 -7.732 -7.757 -3.097 1.00 0.00 N ATOM 797 CA PRO A 51 -7.884 -8.311 -1.750 1.00 0.00 C ATOM 798 C PRO A 51 -9.137 -7.762 -1.066 1.00 0.00 C ATOM 799 O PRO A 51 -9.419 -6.561 -1.132 1.00 0.00 O ATOM 800 CB PRO A 51 -6.627 -7.837 -1.014 1.00 0.00 C ATOM 801 CG PRO A 51 -5.649 -7.490 -2.073 1.00 0.00 C ATOM 802 CD PRO A 51 -6.443 -7.069 -3.277 1.00 0.00 C ATOM 0 HA PRO A 51 -7.993 -9.396 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.844 -6.975 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.237 -8.618 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.991 -6.686 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.014 -8.344 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.568 -5.987 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.955 -7.368 -4.204 1.00 0.00 H new ATOM 810 N ALA A 52 -9.876 -8.648 -0.405 1.00 0.00 N ATOM 811 CA ALA A 52 -11.145 -8.296 0.216 1.00 0.00 C ATOM 812 C ALA A 52 -10.958 -7.248 1.305 1.00 0.00 C ATOM 813 O ALA A 52 -11.886 -6.512 1.631 1.00 0.00 O ATOM 814 CB ALA A 52 -11.812 -9.540 0.784 1.00 0.00 C ATOM 0 H ALA A 52 -9.612 -9.626 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.789 -7.866 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.760 -9.266 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.993 -10.255 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.161 -9.992 1.532 1.00 0.00 H new ATOM 820 N GLU A 53 -9.752 -7.186 1.852 1.00 0.00 N ATOM 821 CA GLU A 53 -9.406 -6.216 2.884 1.00 0.00 C ATOM 822 C GLU A 53 -9.647 -4.796 2.396 1.00 0.00 C ATOM 823 O GLU A 53 -10.224 -3.972 3.106 1.00 0.00 O ATOM 824 CB GLU A 53 -7.938 -6.361 3.286 1.00 0.00 C ATOM 825 CG GLU A 53 -7.611 -7.635 4.050 1.00 0.00 C ATOM 826 CD GLU A 53 -8.018 -8.898 3.323 1.00 0.00 C ATOM 827 OE1 GLU A 53 -7.725 -9.015 2.111 1.00 0.00 O ATOM 828 OE2 GLU A 53 -8.651 -9.765 3.958 1.00 0.00 O ATOM 0 H GLU A 53 -8.985 -7.807 1.593 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.042 -6.412 3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.324 -6.325 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.657 -5.504 3.898 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.539 -7.667 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.110 -7.606 5.019 1.00 0.00 H new ATOM 835 N LEU A 54 -9.218 -4.519 1.171 1.00 0.00 N ATOM 836 CA LEU A 54 -9.333 -3.183 0.613 1.00 0.00 C ATOM 837 C LEU A 54 -10.703 -3.011 -0.011 1.00 0.00 C ATOM 838 O LEU A 54 -11.146 -1.898 -0.270 1.00 0.00 O ATOM 839 CB LEU A 54 -8.227 -2.887 -0.418 1.00 0.00 C ATOM 840 CG LEU A 54 -7.381 -4.071 -0.883 1.00 0.00 C ATOM 841 CD1 LEU A 54 -6.598 -3.673 -2.119 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.424 -4.515 0.215 1.00 0.00 C ATOM 0 H LEU A 54 -8.788 -5.203 0.548 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.208 -2.467 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.692 -2.437 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.558 -2.138 0.007 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.042 -4.905 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.993 -4.516 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.290 -3.386 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.948 -2.831 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.832 -5.359 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.761 -3.690 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.993 -4.814 1.095 1.00 0.00 H new ATOM 854 N ARG A 55 -11.379 -4.129 -0.234 1.00 0.00 N ATOM 855 CA ARG A 55 -12.743 -4.101 -0.732 1.00 0.00 C ATOM 856 C ARG A 55 -13.698 -3.769 0.409 1.00 0.00 C ATOM 857 O ARG A 55 -14.724 -3.125 0.209 1.00 0.00 O ATOM 858 CB ARG A 55 -13.120 -5.440 -1.372 1.00 0.00 C ATOM 859 CG ARG A 55 -14.519 -5.448 -1.956 1.00 0.00 C ATOM 860 CD ARG A 55 -14.669 -4.378 -3.024 1.00 0.00 C ATOM 861 NE ARG A 55 -13.921 -4.702 -4.239 1.00 0.00 N ATOM 862 CZ ARG A 55 -14.247 -4.261 -5.455 1.00 0.00 C ATOM 863 NH1 ARG A 55 -15.340 -3.527 -5.633 1.00 0.00 N ATOM 864 NH2 ARG A 55 -13.494 -4.573 -6.503 1.00 0.00 N ATOM 0 H ARG A 55 -11.004 -5.065 -0.078 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.819 -3.331 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.403 -5.674 -2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.041 -6.229 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.732 -6.427 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.249 -5.281 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.724 -4.258 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.323 -3.423 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.100 -5.301 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.935 -3.298 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.584 -3.193 -6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.663 -5.152 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.746 -4.234 -7.431 1.00 0.00 H new ATOM 878 N ARG A 56 -13.348 -4.217 1.607 1.00 0.00 N ATOM 879 CA ARG A 56 -14.099 -3.881 2.804 1.00 0.00 C ATOM 880 C ARG A 56 -13.766 -2.470 3.269 1.00 0.00 C ATOM 881 O ARG A 56 -14.330 -1.975 4.241 1.00 0.00 O ATOM 882 CB ARG A 56 -13.813 -4.895 3.908 1.00 0.00 C ATOM 883 CG ARG A 56 -14.373 -6.270 3.603 1.00 0.00 C ATOM 884 CD ARG A 56 -15.891 -6.262 3.641 1.00 0.00 C ATOM 885 NE ARG A 56 -16.467 -7.502 3.129 1.00 0.00 N ATOM 886 CZ ARG A 56 -16.798 -8.544 3.890 1.00 0.00 C ATOM 887 NH1 ARG A 56 -16.579 -8.518 5.200 1.00 0.00 N ATOM 888 NH2 ARG A 56 -17.348 -9.620 3.342 1.00 0.00 N ATOM 0 H ARG A 56 -12.542 -4.819 1.774 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.163 -3.917 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.736 -4.971 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.238 -4.535 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.032 -6.595 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.992 -6.990 4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.225 -6.106 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.262 -5.422 3.053 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.626 -7.575 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.155 -7.696 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.835 -9.320 5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.518 -9.650 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.601 -10.417 3.926 1.00 0.00 H new ATOM 902 N LEU A 57 -12.836 -1.836 2.573 1.00 0.00 N ATOM 903 CA LEU A 57 -12.539 -0.437 2.800 1.00 0.00 C ATOM 904 C LEU A 57 -13.154 0.359 1.660 1.00 0.00 C ATOM 905 O LEU A 57 -13.623 1.484 1.838 1.00 0.00 O ATOM 906 CB LEU A 57 -11.030 -0.207 2.858 1.00 0.00 C ATOM 907 CG LEU A 57 -10.567 0.848 3.870 1.00 0.00 C ATOM 908 CD1 LEU A 57 -9.059 0.899 3.913 1.00 0.00 C ATOM 909 CD2 LEU A 57 -11.128 2.224 3.541 1.00 0.00 C ATOM 0 H LEU A 57 -12.273 -2.273 1.843 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.955 -0.116 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.544 -1.153 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.686 0.088 1.867 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.947 0.559 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.741 1.651 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.670 -0.075 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.675 1.158 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.779 2.945 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.791 2.527 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.217 2.186 3.558 1.00 0.00 H new ATOM 921 N ALA A 58 -13.143 -0.251 0.481 1.00 0.00 N ATOM 922 CA ALA A 58 -13.785 0.326 -0.686 1.00 0.00 C ATOM 923 C ALA A 58 -15.254 0.576 -0.442 1.00 0.00 C ATOM 924 O ALA A 58 -16.040 -0.330 -0.158 1.00 0.00 O ATOM 925 CB ALA A 58 -13.607 -0.534 -1.918 1.00 0.00 C ATOM 0 H ALA A 58 -12.693 -1.150 0.311 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.292 1.281 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.104 -0.062 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.544 -0.643 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.044 -1.517 -1.742 1.00 0.00 H new ATOM 931 N HIS A 59 -15.596 1.827 -0.581 1.00 0.00 N ATOM 932 CA HIS A 59 -16.938 2.298 -0.331 1.00 0.00 C ATOM 933 C HIS A 59 -17.779 2.190 -1.589 1.00 0.00 C ATOM 934 O HIS A 59 -18.655 1.338 -1.682 1.00 0.00 O ATOM 935 CB HIS A 59 -16.894 3.741 0.178 1.00 0.00 C ATOM 936 CG HIS A 59 -16.057 3.896 1.411 1.00 0.00 C ATOM 937 ND1 HIS A 59 -14.957 4.726 1.492 1.00 0.00 N ATOM 938 CD2 HIS A 59 -16.164 3.301 2.617 1.00 0.00 C ATOM 939 CE1 HIS A 59 -14.428 4.630 2.700 1.00 0.00 C ATOM 940 NE2 HIS A 59 -15.143 3.774 3.400 1.00 0.00 N ATOM 0 H HIS A 59 -14.948 2.558 -0.874 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.400 1.675 0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.500 4.387 -0.607 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.909 4.078 0.388 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -14.608 5.319 0.739 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -16.916 2.584 2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.557 5.163 3.053 1.00 0.00 H new ATOM 949 N GLY A 60 -17.481 3.034 -2.567 1.00 0.00 N ATOM 950 CA GLY A 60 -18.251 3.049 -3.799 1.00 0.00 C ATOM 951 C GLY A 60 -18.047 1.796 -4.621 1.00 0.00 C ATOM 952 O GLY A 60 -18.957 1.330 -5.304 1.00 0.00 O ATOM 0 H GLY A 60 -16.719 3.711 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.309 3.156 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.967 3.919 -4.391 1.00 0.00 H new ATOM 956 N GLY A 61 -16.848 1.251 -4.544 1.00 0.00 N ATOM 957 CA GLY A 61 -16.510 0.076 -5.314 1.00 0.00 C ATOM 958 C GLY A 61 -15.249 0.288 -6.096 1.00 0.00 C ATOM 959 O GLY A 61 -14.576 -0.660 -6.497 1.00 0.00 O ATOM 0 H GLY A 61 -16.094 1.605 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.389 -0.777 -4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.327 -0.165 -5.994 1.00 0.00 H new ATOM 963 N GLN A 62 -14.933 1.547 -6.311 1.00 0.00 N ATOM 964 CA GLN A 62 -13.673 1.924 -6.891 1.00 0.00 C ATOM 965 C GLN A 62 -12.562 1.718 -5.876 1.00 0.00 C ATOM 966 O GLN A 62 -12.273 2.600 -5.060 1.00 0.00 O ATOM 967 CB GLN A 62 -13.733 3.377 -7.304 1.00 0.00 C ATOM 968 CG GLN A 62 -12.390 3.947 -7.741 1.00 0.00 C ATOM 969 CD GLN A 62 -12.446 5.422 -8.080 1.00 0.00 C ATOM 970 OE1 GLN A 62 -13.604 5.895 -8.511 1.00 0.00 O flip ATOM 971 NE2 GLN A 62 -11.454 6.134 -7.943 1.00 0.00 N flip ATOM 0 H GLN A 62 -15.544 2.332 -6.087 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.470 1.307 -7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.446 3.484 -8.122 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.114 3.967 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.661 3.792 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.035 3.395 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.579 5.731 -7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.505 7.128 -8.164 1.00 0.00 H new ATOM 980 N VAL A 63 -11.978 0.537 -5.896 1.00 0.00 N ATOM 981 CA VAL A 63 -10.835 0.259 -5.060 1.00 0.00 C ATOM 982 C VAL A 63 -9.556 0.500 -5.859 1.00 0.00 C ATOM 983 O VAL A 63 -9.171 -0.293 -6.720 1.00 0.00 O ATOM 984 CB VAL A 63 -10.881 -1.182 -4.493 1.00 0.00 C ATOM 985 CG1 VAL A 63 -11.080 -2.209 -5.597 1.00 0.00 C ATOM 986 CG2 VAL A 63 -9.621 -1.480 -3.695 1.00 0.00 C ATOM 0 H VAL A 63 -12.278 -0.242 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.853 0.933 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.739 -1.252 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.107 -3.209 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.020 -2.011 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.256 -2.144 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.670 -2.496 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.749 -1.382 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.540 -0.776 -2.867 1.00 0.00 H new ATOM 996 N ASN A 64 -8.925 1.627 -5.598 1.00 0.00 N ATOM 997 CA ASN A 64 -7.704 1.990 -6.294 1.00 0.00 C ATOM 998 C ASN A 64 -6.511 1.839 -5.369 1.00 0.00 C ATOM 999 O ASN A 64 -6.376 2.585 -4.402 1.00 0.00 O ATOM 1000 CB ASN A 64 -7.793 3.434 -6.793 1.00 0.00 C ATOM 1001 CG ASN A 64 -6.587 3.850 -7.622 1.00 0.00 C ATOM 1002 OD1 ASN A 64 -6.063 2.934 -8.423 1.00 0.00 O flip ATOM 1003 ND2 ASN A 64 -6.149 5.000 -7.566 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.237 2.310 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.578 1.325 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.697 3.551 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.888 4.103 -5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.578 5.679 -6.937 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.357 5.273 -8.148 1.00 0.00 H new ATOM 1010 N LEU A 65 -5.654 0.871 -5.656 1.00 0.00 N ATOM 1011 CA LEU A 65 -4.471 0.661 -4.845 1.00 0.00 C ATOM 1012 C LEU A 65 -3.243 1.181 -5.574 1.00 0.00 C ATOM 1013 O LEU A 65 -3.110 1.030 -6.793 1.00 0.00 O ATOM 1014 CB LEU A 65 -4.298 -0.817 -4.481 1.00 0.00 C ATOM 1015 CG LEU A 65 -3.443 -1.618 -5.442 1.00 0.00 C ATOM 1016 CD1 LEU A 65 -2.239 -2.204 -4.721 1.00 0.00 C ATOM 1017 CD2 LEU A 65 -4.269 -2.716 -6.086 1.00 0.00 C ATOM 0 H LEU A 65 -5.756 0.225 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.593 1.216 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.857 -0.881 -3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.284 -1.279 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.080 -0.953 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.636 -2.776 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.638 -1.397 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.579 -2.859 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.644 -3.285 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.656 -3.381 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.101 -2.272 -6.633 1.00 0.00 H new ATOM 1029 N ASP A 66 -2.362 1.812 -4.826 1.00 0.00 N ATOM 1030 CA ASP A 66 -1.133 2.351 -5.378 1.00 0.00 C ATOM 1031 C ASP A 66 0.051 1.679 -4.708 1.00 0.00 C ATOM 1032 O ASP A 66 -0.119 1.008 -3.696 1.00 0.00 O ATOM 1033 CB ASP A 66 -1.071 3.863 -5.164 1.00 0.00 C ATOM 1034 CG ASP A 66 -0.402 4.579 -6.317 1.00 0.00 C ATOM 1035 OD1 ASP A 66 0.815 4.395 -6.514 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -1.096 5.333 -7.035 1.00 0.00 O ATOM 0 H ASP A 66 -2.475 1.966 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.104 2.156 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.081 4.251 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.528 4.075 -4.243 1.00 0.00 H new ATOM 1041 N MET A 67 1.241 1.839 -5.264 1.00 0.00 N ATOM 1042 CA MET A 67 2.417 1.177 -4.716 1.00 0.00 C ATOM 1043 C MET A 67 3.556 2.170 -4.518 1.00 0.00 C ATOM 1044 O MET A 67 3.832 2.997 -5.390 1.00 0.00 O ATOM 1045 CB MET A 67 2.868 0.033 -5.629 1.00 0.00 C ATOM 1046 CG MET A 67 1.777 -0.993 -5.901 1.00 0.00 C ATOM 1047 SD MET A 67 2.377 -2.438 -6.792 1.00 0.00 S ATOM 1048 CE MET A 67 3.411 -3.200 -5.541 1.00 0.00 C ATOM 0 H MET A 67 1.419 2.415 -6.086 1.00 0.00 H new ATOM 0 HA MET A 67 2.147 0.763 -3.745 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.210 0.448 -6.577 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.722 -0.469 -5.175 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.341 -1.312 -4.954 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.979 -0.523 -6.477 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.448 -3.199 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.330 -2.638 -4.610 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.084 -4.227 -5.375 1.00 0.00 H new ATOM 1058 N GLU A 68 4.218 2.073 -3.374 1.00 0.00 N ATOM 1059 CA GLU A 68 5.330 2.941 -3.042 1.00 0.00 C ATOM 1060 C GLU A 68 6.542 2.101 -2.721 1.00 0.00 C ATOM 1061 O GLU A 68 6.437 1.081 -2.046 1.00 0.00 O ATOM 1062 CB GLU A 68 5.024 3.814 -1.831 1.00 0.00 C ATOM 1063 CG GLU A 68 3.920 4.828 -2.034 1.00 0.00 C ATOM 1064 CD GLU A 68 3.705 5.665 -0.793 1.00 0.00 C ATOM 1065 OE1 GLU A 68 4.584 5.642 0.098 1.00 0.00 O ATOM 1066 OE2 GLU A 68 2.656 6.331 -0.686 1.00 0.00 O ATOM 0 H GLU A 68 3.996 1.388 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 68 5.512 3.585 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.754 3.168 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.933 4.342 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.170 5.477 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.994 4.314 -2.293 1.00 0.00 H new ATOM 1073 N ASP A 69 7.682 2.553 -3.165 1.00 0.00 N ATOM 1074 CA ASP A 69 8.913 1.811 -2.998 1.00 0.00 C ATOM 1075 C ASP A 69 9.762 2.431 -1.889 1.00 0.00 C ATOM 1076 O ASP A 69 10.485 3.398 -2.121 1.00 0.00 O ATOM 1077 CB ASP A 69 9.687 1.827 -4.315 1.00 0.00 C ATOM 1078 CG ASP A 69 9.044 1.006 -5.417 1.00 0.00 C ATOM 1079 OD1 ASP A 69 8.052 1.478 -6.017 1.00 0.00 O ATOM 1080 OD2 ASP A 69 9.553 -0.092 -5.722 1.00 0.00 O ATOM 0 H ASP A 69 7.790 3.443 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 69 8.679 0.783 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.786 2.858 -4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.695 1.452 -4.137 1.00 0.00 H new ATOM 1085 N HIS A 70 9.657 1.889 -0.680 1.00 0.00 N ATOM 1086 CA HIS A 70 10.442 2.388 0.451 1.00 0.00 C ATOM 1087 C HIS A 70 11.567 1.414 0.787 1.00 0.00 C ATOM 1088 O HIS A 70 12.737 1.786 0.846 1.00 0.00 O ATOM 1089 CB HIS A 70 9.562 2.589 1.694 1.00 0.00 C ATOM 1090 CG HIS A 70 8.587 3.724 1.599 1.00 0.00 C ATOM 1091 ND1 HIS A 70 8.805 4.957 2.179 1.00 0.00 N ATOM 1092 CD2 HIS A 70 7.373 3.801 1.006 1.00 0.00 C ATOM 1093 CE1 HIS A 70 7.767 5.739 1.947 1.00 0.00 C ATOM 1094 NE2 HIS A 70 6.885 5.062 1.235 1.00 0.00 N ATOM 0 H HIS A 70 9.040 1.108 -0.456 1.00 0.00 H new ATOM 0 HA HIS A 70 10.863 3.350 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.009 1.669 1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.208 2.755 2.556 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.880 3.015 0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.658 6.760 2.283 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.987 5.419 0.908 1.00 0.00 H new ATOM 1103 N ARG A 71 11.178 0.163 1.006 1.00 0.00 N ATOM 1104 CA ARG A 71 12.096 -0.920 1.341 1.00 0.00 C ATOM 1105 C ARG A 71 12.917 -0.627 2.592 1.00 0.00 C ATOM 1106 O ARG A 71 12.413 -0.777 3.706 1.00 0.00 O ATOM 1107 CB ARG A 71 12.985 -1.269 0.150 1.00 0.00 C ATOM 1108 CG ARG A 71 12.264 -2.128 -0.874 1.00 0.00 C ATOM 1109 CD ARG A 71 12.859 -1.996 -2.264 1.00 0.00 C ATOM 1110 NE ARG A 71 14.300 -2.246 -2.291 1.00 0.00 N ATOM 1111 CZ ARG A 71 15.057 -2.073 -3.371 1.00 0.00 C ATOM 1112 NH1 ARG A 71 14.511 -1.684 -4.516 1.00 0.00 N ATOM 1113 NH2 ARG A 71 16.363 -2.292 -3.309 1.00 0.00 N ATOM 0 H ARG A 71 10.203 -0.132 0.955 1.00 0.00 H new ATOM 0 HA ARG A 71 11.488 -1.794 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.328 -0.350 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.872 -1.795 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.305 -3.172 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.212 -1.846 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.361 -2.696 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.662 -0.994 -2.645 1.00 0.00 H new ATOM 0 HE ARG A 71 14.749 -2.571 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.506 -1.516 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.096 -1.553 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.788 -2.594 -2.432 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.942 -2.159 -4.138 1.00 0.00 H new ATOM 1127 N ASP A 72 14.153 -0.172 2.420 1.00 0.00 N ATOM 1128 CA ASP A 72 15.070 0.000 3.547 1.00 0.00 C ATOM 1129 C ASP A 72 14.692 1.209 4.394 1.00 0.00 C ATOM 1130 O ASP A 72 15.318 1.482 5.413 1.00 0.00 O ATOM 1131 CB ASP A 72 16.517 0.117 3.062 1.00 0.00 C ATOM 1132 CG ASP A 72 16.718 1.243 2.069 1.00 0.00 C ATOM 1133 OD1 ASP A 72 16.204 1.136 0.938 1.00 0.00 O ATOM 1134 OD2 ASP A 72 17.407 2.228 2.406 1.00 0.00 O ATOM 0 H ASP A 72 14.545 0.085 1.514 1.00 0.00 H new ATOM 0 HA ASP A 72 14.987 -0.888 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.170 0.275 3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.818 -0.824 2.602 1.00 0.00 H new ATOM 1139 N GLU A 73 13.660 1.921 3.967 1.00 0.00 N ATOM 1140 CA GLU A 73 13.093 3.011 4.751 1.00 0.00 C ATOM 1141 C GLU A 73 12.367 2.463 5.985 1.00 0.00 C ATOM 1142 O GLU A 73 12.150 3.178 6.969 1.00 0.00 O ATOM 1143 CB GLU A 73 12.124 3.813 3.879 1.00 0.00 C ATOM 1144 CG GLU A 73 12.585 5.231 3.596 1.00 0.00 C ATOM 1145 CD GLU A 73 12.465 6.119 4.812 1.00 0.00 C ATOM 1146 OE1 GLU A 73 13.426 6.196 5.603 1.00 0.00 O ATOM 1147 OE2 GLU A 73 11.393 6.728 4.998 1.00 0.00 O ATOM 0 H GLU A 73 13.194 1.762 3.074 1.00 0.00 H new ATOM 0 HA GLU A 73 13.898 3.663 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.984 3.291 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.152 3.848 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.622 5.215 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.993 5.649 2.782 1.00 0.00 H new ATOM 1154 N ASP A 74 12.006 1.179 5.903 1.00 0.00 N ATOM 1155 CA ASP A 74 11.264 0.461 6.950 1.00 0.00 C ATOM 1156 C ASP A 74 9.880 1.081 7.168 1.00 0.00 C ATOM 1157 O ASP A 74 9.559 2.120 6.601 1.00 0.00 O ATOM 1158 CB ASP A 74 12.025 0.425 8.281 1.00 0.00 C ATOM 1159 CG ASP A 74 11.805 -0.870 9.053 1.00 0.00 C ATOM 1160 OD1 ASP A 74 10.687 -1.429 9.001 1.00 0.00 O ATOM 1161 OD2 ASP A 74 12.751 -1.340 9.716 1.00 0.00 O ATOM 0 H ASP A 74 12.224 0.597 5.094 1.00 0.00 H new ATOM 0 HA ASP A 74 11.149 -0.564 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.090 0.551 8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.710 1.268 8.897 1.00 0.00 H new ATOM 1166 N PHE A 75 9.100 0.458 8.036 1.00 0.00 N ATOM 1167 CA PHE A 75 7.664 0.728 8.153 1.00 0.00 C ATOM 1168 C PHE A 75 7.347 2.130 8.676 1.00 0.00 C ATOM 1169 O PHE A 75 7.852 2.542 9.720 1.00 0.00 O ATOM 1170 CB PHE A 75 7.022 -0.305 9.077 1.00 0.00 C ATOM 1171 CG PHE A 75 5.518 -0.290 9.062 1.00 0.00 C ATOM 1172 CD1 PHE A 75 4.827 0.141 7.941 1.00 0.00 C ATOM 1173 CD2 PHE A 75 4.797 -0.729 10.157 1.00 0.00 C ATOM 1174 CE1 PHE A 75 3.451 0.141 7.910 1.00 0.00 C ATOM 1175 CE2 PHE A 75 3.416 -0.732 10.135 1.00 0.00 C ATOM 1176 CZ PHE A 75 2.744 -0.298 9.010 1.00 0.00 C ATOM 0 H PHE A 75 9.439 -0.253 8.684 1.00 0.00 H new ATOM 0 HA PHE A 75 7.255 0.663 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.368 -1.298 8.790 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.367 -0.129 10.096 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.377 0.483 7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.319 -1.073 11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.928 0.483 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.862 -1.074 10.997 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.664 -0.302 8.991 1.00 0.00 H new ATOM 1186 N VAL A 76 6.481 2.837 7.939 1.00 0.00 N ATOM 1187 CA VAL A 76 5.951 4.138 8.351 1.00 0.00 C ATOM 1188 C VAL A 76 4.652 4.488 7.610 1.00 0.00 C ATOM 1189 O VAL A 76 4.688 4.901 6.451 1.00 0.00 O ATOM 1190 CB VAL A 76 6.955 5.297 8.122 1.00 0.00 C ATOM 1191 CG1 VAL A 76 7.849 5.500 9.336 1.00 0.00 C ATOM 1192 CG2 VAL A 76 7.801 5.055 6.877 1.00 0.00 C ATOM 0 H VAL A 76 6.128 2.519 7.036 1.00 0.00 H new ATOM 0 HA VAL A 76 5.759 4.036 9.419 1.00 0.00 H new ATOM 0 HB VAL A 76 6.373 6.206 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.542 6.319 9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.235 5.739 10.204 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.412 4.587 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.496 5.884 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.361 4.127 6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.152 4.980 6.005 1.00 0.00 H new ATOM 1202 N LYS A 77 3.503 4.282 8.262 1.00 0.00 N ATOM 1203 CA LYS A 77 2.253 4.908 7.815 1.00 0.00 C ATOM 1204 C LYS A 77 1.170 4.913 8.911 1.00 0.00 C ATOM 1205 O LYS A 77 0.858 5.967 9.457 1.00 0.00 O ATOM 1206 CB LYS A 77 1.711 4.342 6.486 1.00 0.00 C ATOM 1207 CG LYS A 77 0.462 5.068 6.002 1.00 0.00 C ATOM 1208 CD LYS A 77 -0.314 4.249 4.985 1.00 0.00 C ATOM 1209 CE LYS A 77 -1.154 3.170 5.653 1.00 0.00 C ATOM 1210 NZ LYS A 77 -2.294 3.741 6.424 1.00 0.00 N ATOM 0 H LYS A 77 3.412 3.694 9.091 1.00 0.00 H new ATOM 0 HA LYS A 77 2.519 5.945 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.486 4.413 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.485 3.283 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.180 5.291 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.746 6.022 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.961 4.907 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.381 3.787 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.537 2.488 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.524 2.583 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.999 2.998 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.948 4.114 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.732 4.510 5.878 1.00 0.00 H new ATOM 1224 N PRO A 78 0.602 3.753 9.276 1.00 0.00 N ATOM 1225 CA PRO A 78 -0.511 3.670 10.241 1.00 0.00 C ATOM 1226 C PRO A 78 -0.083 4.029 11.658 1.00 0.00 C ATOM 1227 O PRO A 78 -0.820 4.669 12.407 1.00 0.00 O ATOM 1228 CB PRO A 78 -0.904 2.188 10.204 1.00 0.00 C ATOM 1229 CG PRO A 78 -0.277 1.649 8.966 1.00 0.00 C ATOM 1230 CD PRO A 78 0.990 2.431 8.808 1.00 0.00 C ATOM 0 HA PRO A 78 -1.312 4.363 9.982 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.544 1.663 11.089 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.987 2.068 10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.075 0.582 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.931 1.777 8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.803 2.012 9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.329 2.450 7.772 1.00 0.00 H new ATOM 1238 N LYS A 79 1.116 3.580 11.997 1.00 0.00 N ATOM 1239 CA LYS A 79 1.677 3.712 13.342 1.00 0.00 C ATOM 1240 C LYS A 79 1.566 5.140 13.880 1.00 0.00 C ATOM 1241 O LYS A 79 1.209 5.349 15.038 1.00 0.00 O ATOM 1242 CB LYS A 79 3.141 3.253 13.337 1.00 0.00 C ATOM 1243 CG LYS A 79 3.357 1.919 12.624 1.00 0.00 C ATOM 1244 CD LYS A 79 2.345 0.871 13.075 1.00 0.00 C ATOM 1245 CE LYS A 79 2.526 0.470 14.530 1.00 0.00 C ATOM 1246 NZ LYS A 79 1.405 -0.388 14.995 1.00 0.00 N ATOM 0 H LYS A 79 1.738 3.107 11.341 1.00 0.00 H new ATOM 0 HA LYS A 79 1.095 3.076 14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.752 4.017 12.856 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.491 3.167 14.366 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.276 2.064 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.367 1.559 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.337 1.260 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.438 -0.013 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.469 -0.064 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.585 1.364 15.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.663 -0.838 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.554 0.195 15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.212 -1.123 14.285 1.00 0.00 H new ATOM 1260 N GLY A 80 1.884 6.117 13.047 1.00 0.00 N ATOM 1261 CA GLY A 80 1.715 7.499 13.435 1.00 0.00 C ATOM 1262 C GLY A 80 2.117 8.425 12.319 1.00 0.00 C ATOM 1263 O GLY A 80 2.621 9.519 12.568 1.00 0.00 O ATOM 0 H GLY A 80 2.257 5.977 12.108 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.675 7.680 13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.316 7.708 14.320 1.00 0.00 H new ATOM 1267 N ALA A 81 1.879 7.971 11.083 1.00 0.00 N ATOM 1268 CA ALA A 81 2.348 8.652 9.878 1.00 0.00 C ATOM 1269 C ALA A 81 3.873 8.721 9.864 1.00 0.00 C ATOM 1270 O ALA A 81 4.527 7.898 9.215 1.00 0.00 O ATOM 1271 CB ALA A 81 1.731 10.038 9.751 1.00 0.00 C ATOM 0 H ALA A 81 1.353 7.118 10.893 1.00 0.00 H new ATOM 0 HA ALA A 81 2.026 8.073 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.100 10.519 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.646 9.950 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.005 10.639 10.618 1.00 0.00 H new ATOM 1277 N PHE A 82 4.415 9.679 10.618 1.00 0.00 N ATOM 1278 CA PHE A 82 5.853 9.908 10.737 1.00 0.00 C ATOM 1279 C PHE A 82 6.434 10.396 9.409 1.00 0.00 C ATOM 1280 O PHE A 82 6.811 11.561 9.268 1.00 0.00 O ATOM 1281 CB PHE A 82 6.573 8.638 11.215 1.00 0.00 C ATOM 1282 CG PHE A 82 7.917 8.896 11.839 1.00 0.00 C ATOM 1283 CD1 PHE A 82 8.022 9.155 13.195 1.00 0.00 C ATOM 1284 CD2 PHE A 82 9.070 8.883 11.073 1.00 0.00 C ATOM 1285 CE1 PHE A 82 9.250 9.393 13.777 1.00 0.00 C ATOM 1286 CE2 PHE A 82 10.304 9.121 11.649 1.00 0.00 C ATOM 1287 CZ PHE A 82 10.392 9.379 13.003 1.00 0.00 C ATOM 0 H PHE A 82 3.856 10.328 11.172 1.00 0.00 H new ATOM 0 HA PHE A 82 6.012 10.686 11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.940 8.124 11.939 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.700 7.964 10.368 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.131 9.171 13.805 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.005 8.685 10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.317 9.590 14.837 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.197 9.105 11.042 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.354 9.570 13.455 1.00 0.00 H new ATOM 1297 N LYS A 83 6.488 9.500 8.439 1.00 0.00 N ATOM 1298 CA LYS A 83 6.957 9.822 7.104 1.00 0.00 C ATOM 1299 C LYS A 83 6.430 8.788 6.117 1.00 0.00 C ATOM 1300 O LYS A 83 7.192 8.020 5.528 1.00 0.00 O ATOM 1301 CB LYS A 83 8.491 9.897 7.065 1.00 0.00 C ATOM 1302 CG LYS A 83 9.185 8.679 7.651 1.00 0.00 C ATOM 1303 CD LYS A 83 10.693 8.860 7.680 1.00 0.00 C ATOM 1304 CE LYS A 83 11.387 7.673 8.325 1.00 0.00 C ATOM 1305 NZ LYS A 83 11.126 6.407 7.593 1.00 0.00 N ATOM 0 H LYS A 83 6.207 8.526 8.556 1.00 0.00 H new ATOM 0 HA LYS A 83 6.577 10.803 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.812 10.023 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.815 10.784 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.819 8.501 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.934 7.797 7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.064 8.990 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.940 9.769 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.461 7.856 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.048 7.572 9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.993 5.833 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.371 5.878 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.832 6.623 6.619 1.00 0.00 H new ATOM 1319 N ALA A 84 5.108 8.773 5.954 1.00 0.00 N ATOM 1320 CA ALA A 84 4.451 7.831 5.055 1.00 0.00 C ATOM 1321 C ALA A 84 5.030 7.958 3.657 1.00 0.00 C ATOM 1322 O ALA A 84 5.171 6.973 2.933 1.00 0.00 O ATOM 1323 CB ALA A 84 2.946 8.061 5.041 1.00 0.00 C ATOM 0 H ALA A 84 4.470 9.406 6.436 1.00 0.00 H new ATOM 0 HA ALA A 84 4.631 6.818 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.475 7.348 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.548 7.924 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.736 9.076 4.702 1.00 0.00 H new ATOM 1329 N PHE A 85 5.357 9.186 3.294 1.00 0.00 N ATOM 1330 CA PHE A 85 6.110 9.472 2.090 1.00 0.00 C ATOM 1331 C PHE A 85 6.995 10.682 2.356 1.00 0.00 C ATOM 1332 O PHE A 85 6.529 11.695 2.881 1.00 0.00 O ATOM 1333 CB PHE A 85 5.187 9.703 0.878 1.00 0.00 C ATOM 1334 CG PHE A 85 4.231 10.859 1.016 1.00 0.00 C ATOM 1335 CD1 PHE A 85 3.035 10.710 1.700 1.00 0.00 C ATOM 1336 CD2 PHE A 85 4.526 12.091 0.450 1.00 0.00 C ATOM 1337 CE1 PHE A 85 2.155 11.767 1.824 1.00 0.00 C ATOM 1338 CE2 PHE A 85 3.648 13.151 0.570 1.00 0.00 C ATOM 1339 CZ PHE A 85 2.461 12.989 1.257 1.00 0.00 C ATOM 0 H PHE A 85 5.105 10.016 3.831 1.00 0.00 H new ATOM 0 HA PHE A 85 6.729 8.611 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.806 9.866 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.611 8.795 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.788 9.756 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.452 12.223 -0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.228 11.638 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.890 14.106 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.773 13.816 1.351 1.00 0.00 H new ATOM 1349 N THR A 86 8.270 10.567 2.037 1.00 0.00 N ATOM 1350 CA THR A 86 9.213 11.623 2.357 1.00 0.00 C ATOM 1351 C THR A 86 10.054 12.012 1.146 1.00 0.00 C ATOM 1352 O THR A 86 10.162 13.193 0.815 1.00 0.00 O ATOM 1353 CB THR A 86 10.122 11.230 3.551 1.00 0.00 C ATOM 1354 OG1 THR A 86 11.142 12.215 3.755 1.00 0.00 O ATOM 1355 CG2 THR A 86 10.767 9.863 3.348 1.00 0.00 C ATOM 0 H THR A 86 8.675 9.761 1.561 1.00 0.00 H new ATOM 0 HA THR A 86 8.627 12.494 2.651 1.00 0.00 H new ATOM 0 HB THR A 86 9.485 11.178 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.705 11.951 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.395 9.626 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.990 9.105 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.378 9.879 2.445 1.00 0.00 H new ATOM 1363 N GLY A 87 10.627 11.021 0.469 1.00 0.00 N ATOM 1364 CA GLY A 87 11.476 11.289 -0.677 1.00 0.00 C ATOM 1365 C GLY A 87 12.847 11.801 -0.279 1.00 0.00 C ATOM 1366 O GLY A 87 13.862 11.279 -0.739 1.00 0.00 O ATOM 0 H GLY A 87 10.517 10.033 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.589 10.377 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.991 12.023 -1.321 1.00 0.00 H new ATOM 1370 N GLU A 88 12.863 12.799 0.601 1.00 0.00 N ATOM 1371 CA GLU A 88 14.094 13.447 1.049 1.00 0.00 C ATOM 1372 C GLU A 88 15.091 12.417 1.577 1.00 0.00 C ATOM 1373 O GLU A 88 16.251 12.390 1.163 1.00 0.00 O ATOM 1374 CB GLU A 88 13.789 14.471 2.151 1.00 0.00 C ATOM 1375 CG GLU A 88 12.669 15.451 1.814 1.00 0.00 C ATOM 1376 CD GLU A 88 12.898 16.212 0.524 1.00 0.00 C ATOM 1377 OE1 GLU A 88 13.720 17.150 0.525 1.00 0.00 O ATOM 1378 OE2 GLU A 88 12.231 15.897 -0.486 1.00 0.00 O ATOM 0 H GLU A 88 12.019 13.183 1.026 1.00 0.00 H new ATOM 0 HA GLU A 88 14.534 13.957 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.524 13.936 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.696 15.036 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.729 14.905 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.562 16.163 2.632 1.00 0.00 H new ATOM 1385 N GLY A 89 14.629 11.567 2.484 1.00 0.00 N ATOM 1386 CA GLY A 89 15.486 10.540 3.042 1.00 0.00 C ATOM 1387 C GLY A 89 15.214 9.173 2.448 1.00 0.00 C ATOM 1388 O GLY A 89 15.421 8.151 3.100 1.00 0.00 O ATOM 0 H GLY A 89 13.675 11.570 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.528 10.807 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.343 10.499 4.122 1.00 0.00 H new ATOM 1392 N GLN A 90 14.750 9.156 1.209 1.00 0.00 N ATOM 1393 CA GLN A 90 14.458 7.908 0.521 1.00 0.00 C ATOM 1394 C GLN A 90 15.191 7.868 -0.807 1.00 0.00 C ATOM 1395 O GLN A 90 16.104 7.070 -1.009 1.00 0.00 O ATOM 1396 CB GLN A 90 12.953 7.767 0.283 1.00 0.00 C ATOM 1397 CG GLN A 90 12.560 6.449 -0.366 1.00 0.00 C ATOM 1398 CD GLN A 90 11.109 6.426 -0.801 1.00 0.00 C ATOM 1399 OE1 GLN A 90 10.226 6.071 -0.027 1.00 0.00 O ATOM 1400 NE2 GLN A 90 10.854 6.779 -2.051 1.00 0.00 N ATOM 0 H GLN A 90 14.567 9.994 0.658 1.00 0.00 H new ATOM 0 HA GLN A 90 14.794 7.080 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.432 7.863 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.615 8.588 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.198 6.269 -1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.738 5.635 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.616 7.069 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.896 6.762 -2.401 1.00 0.00 H new ATOM 1409 N LYS A 91 14.789 8.755 -1.700 1.00 0.00 N ATOM 1410 CA LYS A 91 15.386 8.850 -3.014 1.00 0.00 C ATOM 1411 C LYS A 91 15.047 10.206 -3.605 1.00 0.00 C ATOM 1412 O LYS A 91 14.003 10.381 -4.237 1.00 0.00 O ATOM 1413 CB LYS A 91 14.883 7.721 -3.922 1.00 0.00 C ATOM 1414 CG LYS A 91 15.739 7.507 -5.161 1.00 0.00 C ATOM 1415 CD LYS A 91 15.303 6.266 -5.931 1.00 0.00 C ATOM 1416 CE LYS A 91 13.979 6.477 -6.648 1.00 0.00 C ATOM 1417 NZ LYS A 91 14.128 7.376 -7.821 1.00 0.00 N ATOM 0 H LYS A 91 14.041 9.427 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 91 16.468 8.747 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.849 6.794 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.861 7.942 -4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.670 8.381 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.785 7.408 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.071 6.002 -6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.213 5.425 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.584 5.515 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.253 6.901 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.336 8.050 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.024 7.898 -7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.128 6.811 -8.694 1.00 0.00 H new ATOM 1431 N LEU A 92 15.911 11.174 -3.352 1.00 0.00 N ATOM 1432 CA LEU A 92 15.712 12.527 -3.844 1.00 0.00 C ATOM 1433 C LEU A 92 15.820 12.519 -5.363 1.00 0.00 C ATOM 1434 O LEU A 92 15.046 13.176 -6.061 1.00 0.00 O ATOM 1435 CB LEU A 92 16.752 13.471 -3.213 1.00 0.00 C ATOM 1436 CG LEU A 92 16.416 14.973 -3.227 1.00 0.00 C ATOM 1437 CD1 LEU A 92 16.552 15.563 -4.624 1.00 0.00 C ATOM 1438 CD2 LEU A 92 15.015 15.210 -2.678 1.00 0.00 C ATOM 0 H LEU A 92 16.763 11.047 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 92 14.722 12.889 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.906 13.166 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.700 13.329 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 92 17.135 15.481 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.307 16.625 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.576 15.436 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.870 15.051 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.793 16.277 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.289 14.679 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.959 14.844 -1.653 1.00 0.00 H new ATOM 1450 N GLY A 93 16.764 11.740 -5.867 1.00 0.00 N ATOM 1451 CA GLY A 93 16.938 11.621 -7.295 1.00 0.00 C ATOM 1452 C GLY A 93 17.236 10.198 -7.716 1.00 0.00 C ATOM 1453 O GLY A 93 16.335 9.450 -8.101 1.00 0.00 O ATOM 0 H GLY A 93 17.414 11.187 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.036 11.966 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.752 12.271 -7.616 1.00 0.00 H new ATOM 1457 N SER A 94 18.494 9.813 -7.622 1.00 0.00 N ATOM 1458 CA SER A 94 18.916 8.488 -8.034 1.00 0.00 C ATOM 1459 C SER A 94 20.130 8.037 -7.228 1.00 0.00 C ATOM 1460 O SER A 94 20.059 7.061 -6.478 1.00 0.00 O ATOM 1461 CB SER A 94 19.239 8.490 -9.533 1.00 0.00 C ATOM 1462 OG SER A 94 20.154 9.528 -9.858 1.00 0.00 O ATOM 0 H SER A 94 19.245 10.402 -7.262 1.00 0.00 H new ATOM 0 HA SER A 94 18.104 7.785 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.661 7.526 -9.818 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.321 8.618 -10.106 1.00 0.00 H new ATOM 0 HG SER A 94 20.345 9.507 -10.819 1.00 0.00 H new ATOM 1468 N THR A 95 21.226 8.776 -7.364 1.00 0.00 N ATOM 1469 CA THR A 95 22.496 8.414 -6.749 1.00 0.00 C ATOM 1470 C THR A 95 22.949 7.051 -7.277 1.00 0.00 C ATOM 1471 O THR A 95 23.190 6.104 -6.522 1.00 0.00 O ATOM 1472 CB THR A 95 22.394 8.403 -5.208 1.00 0.00 C ATOM 1473 OG1 THR A 95 21.695 9.579 -4.770 1.00 0.00 O ATOM 1474 CG2 THR A 95 23.774 8.372 -4.563 1.00 0.00 C ATOM 0 H THR A 95 21.258 9.641 -7.903 1.00 0.00 H new ATOM 0 HA THR A 95 23.239 9.166 -7.016 1.00 0.00 H new ATOM 0 HB THR A 95 21.853 7.505 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.627 9.574 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 95 23.668 8.365 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.305 7.475 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.338 9.254 -4.867 1.00 0.00 H new ATOM 1482 N ALA A 96 23.044 6.968 -8.597 1.00 0.00 N ATOM 1483 CA ALA A 96 23.431 5.745 -9.280 1.00 0.00 C ATOM 1484 C ALA A 96 24.340 6.081 -10.461 1.00 0.00 C ATOM 1485 O ALA A 96 23.926 5.987 -11.616 1.00 0.00 O ATOM 1486 CB ALA A 96 22.195 4.995 -9.757 1.00 0.00 C ATOM 0 H ALA A 96 22.854 7.750 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 96 23.975 5.104 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 96 22.498 4.081 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 96 21.570 4.742 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 96 21.631 5.624 -10.445 1.00 0.00 H new ATOM 1492 N PRO A 97 25.589 6.489 -10.183 1.00 0.00 N ATOM 1493 CA PRO A 97 26.523 6.949 -11.216 1.00 0.00 C ATOM 1494 C PRO A 97 26.902 5.848 -12.205 1.00 0.00 C ATOM 1495 O PRO A 97 26.541 5.907 -13.379 1.00 0.00 O ATOM 1496 CB PRO A 97 27.752 7.405 -10.422 1.00 0.00 C ATOM 1497 CG PRO A 97 27.654 6.707 -9.109 1.00 0.00 C ATOM 1498 CD PRO A 97 26.188 6.531 -8.838 1.00 0.00 C ATOM 0 HA PRO A 97 26.082 7.735 -11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 97 28.674 7.141 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 97 27.757 8.487 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 97 28.163 5.743 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 97 28.128 7.292 -8.321 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.990 5.614 -8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.788 7.355 -8.247 1.00 0.00 H new ATOM 1506 N GLN A 98 27.621 4.844 -11.726 1.00 0.00 N ATOM 1507 CA GLN A 98 28.063 3.745 -12.569 1.00 0.00 C ATOM 1508 C GLN A 98 28.208 2.484 -11.735 1.00 0.00 C ATOM 1509 O GLN A 98 28.505 2.565 -10.539 1.00 0.00 O ATOM 1510 CB GLN A 98 29.391 4.090 -13.252 1.00 0.00 C ATOM 1511 CG GLN A 98 30.499 4.477 -12.284 1.00 0.00 C ATOM 1512 CD GLN A 98 31.801 4.790 -12.989 1.00 0.00 C ATOM 1513 OE1 GLN A 98 32.632 3.910 -13.204 1.00 0.00 O ATOM 1514 NE2 GLN A 98 31.992 6.049 -13.341 1.00 0.00 N ATOM 0 H GLN A 98 27.912 4.768 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 98 27.316 3.574 -13.344 1.00 0.00 H new ATOM 0 HB2 GLN A 98 29.719 3.233 -13.841 1.00 0.00 H new ATOM 0 HB3 GLN A 98 29.227 4.912 -13.949 1.00 0.00 H new ATOM 0 HG2 GLN A 98 30.185 5.346 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 98 30.659 3.664 -11.576 1.00 0.00 H new ATOM 0 HE21 GLN A 98 31.276 6.748 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 98 32.856 6.322 -13.810 1.00 0.00 H new ATOM 1523 N VAL A 99 27.991 1.333 -12.373 1.00 0.00 N ATOM 1524 CA VAL A 99 28.011 0.029 -11.702 1.00 0.00 C ATOM 1525 C VAL A 99 26.795 -0.122 -10.787 1.00 0.00 C ATOM 1526 O VAL A 99 25.992 -1.043 -10.944 1.00 0.00 O ATOM 1527 CB VAL A 99 29.312 -0.197 -10.895 1.00 0.00 C ATOM 1528 CG1 VAL A 99 29.311 -1.572 -10.240 1.00 0.00 C ATOM 1529 CG2 VAL A 99 30.530 -0.032 -11.794 1.00 0.00 C ATOM 0 H VAL A 99 27.796 1.277 -13.373 1.00 0.00 H new ATOM 0 HA VAL A 99 27.973 -0.731 -12.483 1.00 0.00 H new ATOM 0 HB VAL A 99 29.360 0.553 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 99 30.235 -1.708 -9.678 1.00 0.00 H new ATOM 0 HG12 VAL A 99 28.460 -1.652 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 99 29.237 -2.341 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 99 31.437 -0.194 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 99 30.485 -0.759 -12.605 1.00 0.00 H new ATOM 0 HG23 VAL A 99 30.541 0.975 -12.210 1.00 0.00 H new ATOM 1539 N LEU A 100 26.661 0.794 -9.840 1.00 0.00 N ATOM 1540 CA LEU A 100 25.493 0.846 -8.981 1.00 0.00 C ATOM 1541 C LEU A 100 24.357 1.517 -9.734 1.00 0.00 C ATOM 1542 O LEU A 100 24.458 2.685 -10.115 1.00 0.00 O ATOM 1543 CB LEU A 100 25.784 1.617 -7.683 1.00 0.00 C ATOM 1544 CG LEU A 100 26.838 0.999 -6.753 1.00 0.00 C ATOM 1545 CD1 LEU A 100 28.246 1.210 -7.291 1.00 0.00 C ATOM 1546 CD2 LEU A 100 26.714 1.584 -5.355 1.00 0.00 C ATOM 0 H LEU A 100 27.355 1.517 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 100 25.216 -0.172 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 100 26.107 2.624 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.852 1.717 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 100 26.656 -0.075 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 100 28.967 0.760 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 100 28.334 0.743 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 100 28.446 2.278 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 100 27.467 1.137 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 100 26.865 2.663 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 100 25.721 1.372 -4.959 1.00 0.00 H new ATOM 1558 N SER A 101 23.292 0.776 -9.968 1.00 0.00 N ATOM 1559 CA SER A 101 22.156 1.290 -10.705 1.00 0.00 C ATOM 1560 C SER A 101 20.882 1.099 -9.898 1.00 0.00 C ATOM 1561 O SER A 101 20.587 -0.006 -9.438 1.00 0.00 O ATOM 1562 CB SER A 101 22.039 0.591 -12.064 1.00 0.00 C ATOM 1563 OG SER A 101 20.963 1.118 -12.824 1.00 0.00 O ATOM 0 H SER A 101 23.190 -0.190 -9.656 1.00 0.00 H new ATOM 0 HA SER A 101 22.304 2.356 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 101 22.970 0.710 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 101 21.891 -0.478 -11.914 1.00 0.00 H new ATOM 0 HG SER A 101 20.914 0.655 -13.686 1.00 0.00 H new ATOM 1569 N THR A 102 20.148 2.183 -9.710 1.00 0.00 N ATOM 1570 CA THR A 102 18.895 2.133 -8.987 1.00 0.00 C ATOM 1571 C THR A 102 17.821 1.457 -9.839 1.00 0.00 C ATOM 1572 O THR A 102 17.548 0.257 -9.621 1.00 0.00 O ATOM 1573 CB THR A 102 18.430 3.545 -8.586 1.00 0.00 C ATOM 1574 OG1 THR A 102 19.502 4.242 -7.933 1.00 0.00 O ATOM 1575 CG2 THR A 102 17.225 3.480 -7.657 1.00 0.00 C ATOM 1576 OXT THR A 102 17.292 2.122 -10.759 1.00 0.00 O ATOM 0 H THR A 102 20.402 3.110 -10.051 1.00 0.00 H new ATOM 0 HA THR A 102 19.054 1.552 -8.078 1.00 0.00 H new ATOM 0 HB THR A 102 18.140 4.079 -9.491 1.00 0.00 H new ATOM 0 HG1 THR A 102 19.260 5.186 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 102 16.917 4.491 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 102 16.403 2.972 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 102 17.491 2.931 -6.754 1.00 0.00 H new TER 1584 THR A 102