USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 756 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 130:sc= -0.613 USER MOD Single : A 5 SER OG : rot -58:sc= 0.422 USER MOD Single : A 6 SER OG : rot 160:sc= -0.723 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.36 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 30:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.7!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 SER OG : rot 17:sc= 0.224 USER MOD Single : A 52 THR OG1 : rot -23:sc= 0.0698! USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.39 (180deg=0.799) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.667 X(o=-0.67,f=-0.65) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -0.0961 (180deg=-0.508) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 62 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5.4!) USER MOD Single : A 68 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.6!) USER MOD Single : A 70 CYS SG : rot 43:sc= -1.48! USER MOD Single : A 71 GLN :FLIP amide:sc= -0.602 F(o=-2.8!,f=-0.6) USER MOD Single : A 72 MET CE :methyl 179:sc= 0 (180deg=-0.00394) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 130:sc= -0.191 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 93:sc= 0.61 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot -130:sc= -0.841 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -163:sc= 0.618 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.440 -10.541 -26.135 1.00 0.00 N ATOM 2 CA GLY A 1 -10.627 -9.145 -26.484 1.00 0.00 C ATOM 3 C GLY A 1 -10.647 -8.241 -25.267 1.00 0.00 C ATOM 4 O GLY A 1 -9.644 -7.605 -24.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.434 -11.117 -27.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.535 -10.656 -25.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.217 -10.852 -25.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.826 -8.831 -27.153 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.563 -9.033 -27.032 1.00 0.00 H new ATOM 8 N SER A 2 -11.791 -8.182 -24.594 1.00 0.00 N ATOM 9 CA SER A 2 -11.939 -7.345 -23.410 1.00 0.00 C ATOM 10 C SER A 2 -12.687 -8.089 -22.308 1.00 0.00 C ATOM 11 O SER A 2 -13.611 -8.856 -22.579 1.00 0.00 O ATOM 12 CB SER A 2 -12.679 -6.053 -23.761 1.00 0.00 C ATOM 13 OG SER A 2 -13.906 -6.329 -24.415 1.00 0.00 O ATOM 0 H SER A 2 -12.629 -8.704 -24.849 1.00 0.00 H new ATOM 0 HA SER A 2 -10.942 -7.097 -23.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.868 -5.480 -22.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.052 -5.434 -24.403 1.00 0.00 H new ATOM 0 HG SER A 2 -14.360 -5.487 -24.627 1.00 0.00 H new ATOM 19 N SER A 3 -12.281 -7.856 -21.064 1.00 0.00 N ATOM 20 CA SER A 3 -12.910 -8.507 -19.920 1.00 0.00 C ATOM 21 C SER A 3 -14.429 -8.505 -20.062 1.00 0.00 C ATOM 22 O SER A 3 -15.070 -9.553 -20.001 1.00 0.00 O ATOM 23 CB SER A 3 -12.506 -7.805 -18.622 1.00 0.00 C ATOM 24 OG SER A 3 -13.052 -8.466 -17.494 1.00 0.00 O ATOM 0 H SER A 3 -11.520 -7.222 -20.822 1.00 0.00 H new ATOM 0 HA SER A 3 -12.567 -9.541 -19.887 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.419 -7.779 -18.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.849 -6.770 -18.642 1.00 0.00 H new ATOM 0 HG SER A 3 -12.344 -8.629 -16.836 1.00 0.00 H new ATOM 30 N GLY A 4 -14.998 -7.319 -20.251 1.00 0.00 N ATOM 31 CA GLY A 4 -16.437 -7.201 -20.398 1.00 0.00 C ATOM 32 C GLY A 4 -17.125 -6.837 -19.097 1.00 0.00 C ATOM 33 O GLY A 4 -17.808 -5.817 -19.013 1.00 0.00 O ATOM 0 H GLY A 4 -14.488 -6.437 -20.305 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.661 -6.443 -21.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.840 -8.144 -20.767 1.00 0.00 H new ATOM 37 N SER A 5 -16.947 -7.674 -18.080 1.00 0.00 N ATOM 38 CA SER A 5 -17.560 -7.438 -16.779 1.00 0.00 C ATOM 39 C SER A 5 -16.540 -6.879 -15.791 1.00 0.00 C ATOM 40 O SER A 5 -16.479 -7.305 -14.638 1.00 0.00 O ATOM 41 CB SER A 5 -18.160 -8.734 -16.231 1.00 0.00 C ATOM 42 OG SER A 5 -18.917 -8.491 -15.058 1.00 0.00 O ATOM 0 H SER A 5 -16.383 -8.522 -18.132 1.00 0.00 H new ATOM 0 HA SER A 5 -18.355 -6.704 -16.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.795 -9.193 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.362 -9.443 -16.012 1.00 0.00 H new ATOM 0 HG SER A 5 -18.345 -8.075 -14.380 1.00 0.00 H new ATOM 48 N SER A 6 -15.741 -5.923 -16.253 1.00 0.00 N ATOM 49 CA SER A 6 -14.721 -5.307 -15.412 1.00 0.00 C ATOM 50 C SER A 6 -14.942 -3.802 -15.304 1.00 0.00 C ATOM 51 O SER A 6 -15.334 -3.149 -16.270 1.00 0.00 O ATOM 52 CB SER A 6 -13.327 -5.590 -15.976 1.00 0.00 C ATOM 53 OG SER A 6 -13.160 -4.988 -17.248 1.00 0.00 O ATOM 0 H SER A 6 -15.780 -5.558 -17.205 1.00 0.00 H new ATOM 0 HA SER A 6 -14.797 -5.740 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.570 -5.212 -15.289 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.176 -6.666 -16.057 1.00 0.00 H new ATOM 0 HG SER A 6 -12.204 -4.899 -17.445 1.00 0.00 H new ATOM 59 N GLY A 7 -14.688 -3.256 -14.118 1.00 0.00 N ATOM 60 CA GLY A 7 -14.865 -1.832 -13.903 1.00 0.00 C ATOM 61 C GLY A 7 -13.625 -1.174 -13.331 1.00 0.00 C ATOM 62 O GLY A 7 -12.551 -1.233 -13.928 1.00 0.00 O ATOM 0 H GLY A 7 -14.363 -3.775 -13.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.123 -1.354 -14.848 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.703 -1.671 -13.225 1.00 0.00 H new ATOM 66 N ALA A 8 -13.774 -0.542 -12.172 1.00 0.00 N ATOM 67 CA ALA A 8 -12.657 0.130 -11.519 1.00 0.00 C ATOM 68 C ALA A 8 -12.906 0.281 -10.022 1.00 0.00 C ATOM 69 O ALA A 8 -13.806 1.009 -9.603 1.00 0.00 O ATOM 70 CB ALA A 8 -12.416 1.491 -12.155 1.00 0.00 C ATOM 0 H ALA A 8 -14.657 -0.481 -11.666 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.767 -0.485 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.579 1.982 -11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.185 1.363 -13.213 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.311 2.105 -12.051 1.00 0.00 H new ATOM 76 N ALA A 9 -12.104 -0.412 -9.221 1.00 0.00 N ATOM 77 CA ALA A 9 -12.237 -0.354 -7.770 1.00 0.00 C ATOM 78 C ALA A 9 -11.222 0.609 -7.164 1.00 0.00 C ATOM 79 O ALA A 9 -11.464 1.200 -6.111 1.00 0.00 O ATOM 80 CB ALA A 9 -12.075 -1.743 -7.169 1.00 0.00 C ATOM 0 H ALA A 9 -11.355 -1.020 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.235 0.017 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.177 -1.685 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.842 -2.405 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.090 -2.136 -7.420 1.00 0.00 H new ATOM 86 N PHE A 10 -10.085 0.762 -7.835 1.00 0.00 N ATOM 87 CA PHE A 10 -9.032 1.653 -7.361 1.00 0.00 C ATOM 88 C PHE A 10 -9.006 2.944 -8.173 1.00 0.00 C ATOM 89 O PHE A 10 -8.613 2.949 -9.339 1.00 0.00 O ATOM 90 CB PHE A 10 -7.672 0.957 -7.443 1.00 0.00 C ATOM 91 CG PHE A 10 -7.412 0.011 -6.306 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.178 0.492 -5.027 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.402 -1.358 -6.515 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.938 -0.376 -3.979 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.163 -2.232 -5.470 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.932 -1.740 -4.201 1.00 0.00 C ATOM 0 H PHE A 10 -9.869 0.281 -8.708 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.242 1.903 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.610 0.408 -8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.887 1.713 -7.463 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.183 1.557 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.583 -1.748 -7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.755 0.011 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.157 -3.297 -5.646 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.747 -2.420 -3.383 1.00 0.00 H new ATOM 106 N ALA A 11 -9.428 4.038 -7.546 1.00 0.00 N ATOM 107 CA ALA A 11 -9.452 5.336 -8.209 1.00 0.00 C ATOM 108 C ALA A 11 -8.039 5.867 -8.427 1.00 0.00 C ATOM 109 O ALA A 11 -7.802 6.684 -9.317 1.00 0.00 O ATOM 110 CB ALA A 11 -10.271 6.328 -7.397 1.00 0.00 C ATOM 0 H ALA A 11 -9.757 4.051 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.919 5.209 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.280 7.293 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.292 5.961 -7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.828 6.442 -6.408 1.00 0.00 H new ATOM 116 N LYS A 12 -7.103 5.399 -7.608 1.00 0.00 N ATOM 117 CA LYS A 12 -5.713 5.826 -7.711 1.00 0.00 C ATOM 118 C LYS A 12 -4.767 4.707 -7.288 1.00 0.00 C ATOM 119 O LYS A 12 -4.670 4.377 -6.106 1.00 0.00 O ATOM 120 CB LYS A 12 -5.473 7.065 -6.845 1.00 0.00 C ATOM 121 CG LYS A 12 -4.150 7.757 -7.127 1.00 0.00 C ATOM 122 CD LYS A 12 -4.186 8.515 -8.443 1.00 0.00 C ATOM 123 CE LYS A 12 -2.788 8.893 -8.907 1.00 0.00 C ATOM 124 NZ LYS A 12 -2.196 9.968 -8.064 1.00 0.00 N ATOM 0 H LYS A 12 -7.282 4.723 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.512 6.074 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.286 7.773 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.506 6.776 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.919 8.447 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.350 7.017 -7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.670 7.902 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.789 9.416 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.145 8.013 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.827 9.225 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.243 10.197 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.796 10.816 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.135 9.642 -7.078 1.00 0.00 H new ATOM 138 N ILE A 13 -4.071 4.127 -8.261 1.00 0.00 N ATOM 139 CA ILE A 13 -3.132 3.047 -7.987 1.00 0.00 C ATOM 140 C ILE A 13 -1.786 3.593 -7.522 1.00 0.00 C ATOM 141 O ILE A 13 -1.517 4.790 -7.634 1.00 0.00 O ATOM 142 CB ILE A 13 -2.912 2.164 -9.230 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.374 3.003 -10.391 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.210 1.474 -9.625 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.758 2.178 -11.498 1.00 0.00 C ATOM 0 H ILE A 13 -4.140 4.387 -9.245 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.570 2.442 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.175 1.399 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.187 3.601 -10.804 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.627 3.700 -10.010 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.039 0.854 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.555 0.849 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.967 2.225 -9.852 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.398 2.838 -12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.924 1.600 -11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.507 1.500 -11.906 1.00 0.00 H new ATOM 157 N LEU A 14 -0.943 2.708 -7.001 1.00 0.00 N ATOM 158 CA LEU A 14 0.377 3.101 -6.520 1.00 0.00 C ATOM 159 C LEU A 14 1.351 3.272 -7.681 1.00 0.00 C ATOM 160 O LEU A 14 1.205 2.636 -8.725 1.00 0.00 O ATOM 161 CB LEU A 14 0.914 2.058 -5.538 1.00 0.00 C ATOM 162 CG LEU A 14 -0.006 1.699 -4.370 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.251 0.273 -3.907 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.185 2.678 -3.220 1.00 0.00 C ATOM 0 H LEU A 14 -1.150 1.714 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 14 0.280 4.058 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.136 1.146 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.858 2.422 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.039 1.768 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.413 0.035 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.063 -0.416 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.287 0.177 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.477 2.407 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.220 2.642 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.050 3.687 -3.558 1.00 0.00 H new ATOM 176 N ASP A 15 2.346 4.131 -7.490 1.00 0.00 N ATOM 177 CA ASP A 15 3.346 4.384 -8.520 1.00 0.00 C ATOM 178 C ASP A 15 4.009 3.083 -8.964 1.00 0.00 C ATOM 179 O ASP A 15 4.116 2.121 -8.204 1.00 0.00 O ATOM 180 CB ASP A 15 4.405 5.360 -8.005 1.00 0.00 C ATOM 181 CG ASP A 15 3.798 6.633 -7.450 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.558 6.689 -7.314 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.563 7.574 -7.152 1.00 0.00 O ATOM 0 H ASP A 15 2.481 4.664 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 15 2.843 4.827 -9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.996 4.874 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.089 5.611 -8.816 1.00 0.00 H new ATOM 188 N PRO A 16 4.463 3.051 -10.226 1.00 0.00 N ATOM 189 CA PRO A 16 5.122 1.874 -10.800 1.00 0.00 C ATOM 190 C PRO A 16 6.499 1.628 -10.194 1.00 0.00 C ATOM 191 O PRO A 16 7.122 0.596 -10.445 1.00 0.00 O ATOM 192 CB PRO A 16 5.246 2.226 -12.285 1.00 0.00 C ATOM 193 CG PRO A 16 5.251 3.715 -12.322 1.00 0.00 C ATOM 194 CD PRO A 16 4.369 4.161 -11.189 1.00 0.00 C ATOM 0 HA PRO A 16 4.561 0.959 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.160 1.816 -12.714 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.414 1.818 -12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.262 4.105 -12.206 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.875 4.083 -13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.715 5.099 -10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.342 4.322 -11.518 1.00 0.00 H new ATOM 202 N ALA A 17 6.969 2.581 -9.396 1.00 0.00 N ATOM 203 CA ALA A 17 8.272 2.466 -8.753 1.00 0.00 C ATOM 204 C ALA A 17 8.506 3.615 -7.779 1.00 0.00 C ATOM 205 O ALA A 17 8.350 4.784 -8.134 1.00 0.00 O ATOM 206 CB ALA A 17 9.375 2.424 -9.799 1.00 0.00 C ATOM 0 H ALA A 17 6.466 3.442 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 17 8.289 1.535 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.342 2.338 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.224 1.565 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.350 3.339 -10.391 1.00 0.00 H new ATOM 212 N TYR A 18 8.881 3.276 -6.550 1.00 0.00 N ATOM 213 CA TYR A 18 9.134 4.280 -5.524 1.00 0.00 C ATOM 214 C TYR A 18 10.628 4.398 -5.234 1.00 0.00 C ATOM 215 O TYR A 18 11.416 3.537 -5.624 1.00 0.00 O ATOM 216 CB TYR A 18 8.380 3.929 -4.240 1.00 0.00 C ATOM 217 CG TYR A 18 6.885 4.130 -4.343 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.110 3.319 -5.162 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.247 5.130 -3.619 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.744 3.499 -5.259 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.881 5.316 -3.709 1.00 0.00 C ATOM 222 CZ TYR A 18 4.134 4.499 -4.530 1.00 0.00 C ATOM 223 OH TYR A 18 2.773 4.680 -4.623 1.00 0.00 O ATOM 0 H TYR A 18 9.016 2.314 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 18 8.777 5.241 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.582 2.889 -3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.765 4.540 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.584 2.534 -5.733 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.829 5.773 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.157 2.860 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.401 6.098 -3.139 1.00 0.00 H new ATOM 0 HH TYR A 18 2.502 5.424 -4.046 1.00 0.00 H new ATOM 233 N GLN A 19 11.007 5.470 -4.546 1.00 0.00 N ATOM 234 CA GLN A 19 12.405 5.701 -4.203 1.00 0.00 C ATOM 235 C GLN A 19 12.524 6.461 -2.886 1.00 0.00 C ATOM 236 O GLN A 19 11.972 7.551 -2.734 1.00 0.00 O ATOM 237 CB GLN A 19 13.104 6.479 -5.319 1.00 0.00 C ATOM 238 CG GLN A 19 13.648 5.594 -6.429 1.00 0.00 C ATOM 239 CD GLN A 19 14.022 6.379 -7.671 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.831 7.306 -7.614 1.00 0.00 O ATOM 241 NE2 GLN A 19 13.435 6.010 -8.804 1.00 0.00 N ATOM 0 H GLN A 19 10.366 6.192 -4.215 1.00 0.00 H new ATOM 0 HA GLN A 19 12.889 4.731 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.401 7.194 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.924 7.055 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.525 5.058 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.901 4.844 -6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.771 5.236 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.649 6.501 -9.672 1.00 0.00 H new ATOM 250 N VAL A 20 13.249 5.879 -1.936 1.00 0.00 N ATOM 251 CA VAL A 20 13.441 6.502 -0.632 1.00 0.00 C ATOM 252 C VAL A 20 14.866 6.298 -0.130 1.00 0.00 C ATOM 253 O VAL A 20 15.609 5.471 -0.659 1.00 0.00 O ATOM 254 CB VAL A 20 12.457 5.937 0.410 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.904 4.560 0.877 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.323 6.891 1.588 1.00 0.00 C ATOM 0 H VAL A 20 13.713 4.977 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 20 13.252 7.568 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 20 11.478 5.835 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.196 4.178 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.943 3.882 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.893 4.632 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.624 6.476 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.297 7.027 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.952 7.854 1.236 1.00 0.00 H new ATOM 266 N ASP A 21 15.241 7.058 0.893 1.00 0.00 N ATOM 267 CA ASP A 21 16.578 6.960 1.468 1.00 0.00 C ATOM 268 C ASP A 21 16.636 5.863 2.526 1.00 0.00 C ATOM 269 O ASP A 21 15.659 5.615 3.233 1.00 0.00 O ATOM 270 CB ASP A 21 16.991 8.299 2.081 1.00 0.00 C ATOM 271 CG ASP A 21 15.900 8.903 2.943 1.00 0.00 C ATOM 272 OD1 ASP A 21 14.835 9.254 2.393 1.00 0.00 O ATOM 273 OD2 ASP A 21 16.110 9.024 4.168 1.00 0.00 O ATOM 0 H ASP A 21 14.639 7.748 1.341 1.00 0.00 H new ATOM 0 HA ASP A 21 17.273 6.705 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.889 8.158 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.248 8.996 1.284 1.00 0.00 H new ATOM 278 N LYS A 22 17.787 5.207 2.628 1.00 0.00 N ATOM 279 CA LYS A 22 17.974 4.135 3.599 1.00 0.00 C ATOM 280 C LYS A 22 17.399 4.525 4.957 1.00 0.00 C ATOM 281 O LYS A 22 17.252 5.707 5.264 1.00 0.00 O ATOM 282 CB LYS A 22 19.460 3.801 3.740 1.00 0.00 C ATOM 283 CG LYS A 22 19.729 2.569 4.588 1.00 0.00 C ATOM 284 CD LYS A 22 21.188 2.484 5.001 1.00 0.00 C ATOM 285 CE LYS A 22 21.636 1.040 5.171 1.00 0.00 C ATOM 286 NZ LYS A 22 23.114 0.901 5.057 1.00 0.00 N ATOM 0 H LYS A 22 18.605 5.399 2.050 1.00 0.00 H new ATOM 0 HA LYS A 22 17.442 3.255 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.885 3.649 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.975 4.655 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.099 2.594 5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.456 1.674 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.809 2.973 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.335 3.024 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 21.310 0.671 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.153 0.419 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.379 -0.097 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.422 1.229 4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.574 1.474 5.793 1.00 0.00 H new ATOM 300 N GLY A 23 17.075 3.522 5.768 1.00 0.00 N ATOM 301 CA GLY A 23 16.521 3.781 7.084 1.00 0.00 C ATOM 302 C GLY A 23 15.593 4.979 7.096 1.00 0.00 C ATOM 303 O GLY A 23 15.492 5.685 8.099 1.00 0.00 O ATOM 0 H GLY A 23 17.186 2.535 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.977 2.900 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.334 3.948 7.791 1.00 0.00 H new ATOM 307 N GLY A 24 14.913 5.211 5.977 1.00 0.00 N ATOM 308 CA GLY A 24 13.998 6.334 5.884 1.00 0.00 C ATOM 309 C GLY A 24 12.547 5.912 6.006 1.00 0.00 C ATOM 310 O GLY A 24 12.231 4.946 6.700 1.00 0.00 O ATOM 0 H GLY A 24 14.979 4.641 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.231 7.054 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.147 6.842 4.931 1.00 0.00 H new ATOM 314 N ARG A 25 11.663 6.638 5.330 1.00 0.00 N ATOM 315 CA ARG A 25 10.237 6.335 5.368 1.00 0.00 C ATOM 316 C ARG A 25 9.600 6.542 3.997 1.00 0.00 C ATOM 317 O ARG A 25 9.755 7.598 3.382 1.00 0.00 O ATOM 318 CB ARG A 25 9.535 7.212 6.406 1.00 0.00 C ATOM 319 CG ARG A 25 8.163 6.697 6.811 1.00 0.00 C ATOM 320 CD ARG A 25 7.459 7.667 7.747 1.00 0.00 C ATOM 321 NE ARG A 25 7.263 8.977 7.133 1.00 0.00 N ATOM 322 CZ ARG A 25 8.183 9.935 7.137 1.00 0.00 C ATOM 323 NH1 ARG A 25 9.356 9.731 7.720 1.00 0.00 N ATOM 324 NH2 ARG A 25 7.930 11.102 6.556 1.00 0.00 N ATOM 0 H ARG A 25 11.909 7.440 4.750 1.00 0.00 H new ATOM 0 HA ARG A 25 10.121 5.288 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.164 7.283 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.432 8.221 6.007 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.554 6.542 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.266 5.728 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.493 7.254 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.044 7.779 8.660 1.00 0.00 H new ATOM 0 HE ARG A 25 6.371 9.167 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.554 8.836 8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.060 10.469 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.029 11.263 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.637 11.837 6.559 1.00 0.00 H new ATOM 338 N VAL A 26 8.885 5.527 3.523 1.00 0.00 N ATOM 339 CA VAL A 26 8.224 5.598 2.225 1.00 0.00 C ATOM 340 C VAL A 26 6.764 6.010 2.373 1.00 0.00 C ATOM 341 O VAL A 26 6.226 6.038 3.480 1.00 0.00 O ATOM 342 CB VAL A 26 8.293 4.249 1.486 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.732 3.905 1.134 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.664 3.148 2.327 1.00 0.00 C ATOM 0 H VAL A 26 8.749 4.646 4.018 1.00 0.00 H new ATOM 0 HA VAL A 26 8.753 6.351 1.641 1.00 0.00 H new ATOM 0 HB VAL A 26 7.728 4.334 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.760 2.948 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.145 4.682 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.324 3.838 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.722 2.202 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.200 3.061 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.620 3.391 2.523 1.00 0.00 H new ATOM 354 N ARG A 27 6.128 6.329 1.251 1.00 0.00 N ATOM 355 CA ARG A 27 4.729 6.740 1.256 1.00 0.00 C ATOM 356 C ARG A 27 3.910 5.893 0.286 1.00 0.00 C ATOM 357 O ARG A 27 4.245 5.781 -0.893 1.00 0.00 O ATOM 358 CB ARG A 27 4.609 8.219 0.884 1.00 0.00 C ATOM 359 CG ARG A 27 3.186 8.749 0.943 1.00 0.00 C ATOM 360 CD ARG A 27 3.119 10.213 0.541 1.00 0.00 C ATOM 361 NE ARG A 27 3.410 10.405 -0.878 1.00 0.00 N ATOM 362 CZ ARG A 27 4.639 10.538 -1.364 1.00 0.00 C ATOM 363 NH1 ARG A 27 5.685 10.499 -0.551 1.00 0.00 N ATOM 364 NH2 ARG A 27 4.823 10.709 -2.667 1.00 0.00 N ATOM 0 H ARG A 27 6.559 6.311 0.327 1.00 0.00 H new ATOM 0 HA ARG A 27 4.336 6.592 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.234 8.806 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.000 8.364 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.550 8.160 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.794 8.630 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.127 10.605 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.829 10.786 1.137 1.00 0.00 H new ATOM 0 HE ARG A 27 2.627 10.439 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.547 10.367 0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.628 10.601 -0.927 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.020 10.738 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.767 10.811 -3.040 1.00 0.00 H new ATOM 378 N PHE A 28 2.835 5.298 0.792 1.00 0.00 N ATOM 379 CA PHE A 28 1.968 4.460 -0.029 1.00 0.00 C ATOM 380 C PHE A 28 0.498 4.759 0.251 1.00 0.00 C ATOM 381 O PHE A 28 -0.028 4.409 1.307 1.00 0.00 O ATOM 382 CB PHE A 28 2.258 2.980 0.233 1.00 0.00 C ATOM 383 CG PHE A 28 3.608 2.538 -0.253 1.00 0.00 C ATOM 384 CD1 PHE A 28 3.979 2.726 -1.575 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.507 1.935 0.611 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.221 2.321 -2.026 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.751 1.528 0.166 1.00 0.00 C ATOM 388 CZ PHE A 28 6.108 1.720 -1.154 1.00 0.00 C ATOM 0 H PHE A 28 2.543 5.380 1.766 1.00 0.00 H new ATOM 0 HA PHE A 28 2.173 4.684 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.185 2.788 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.491 2.376 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.289 3.195 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.233 1.781 1.644 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.498 2.474 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.443 1.060 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.079 1.401 -1.504 1.00 0.00 H new ATOM 398 N VAL A 29 -0.159 5.411 -0.704 1.00 0.00 N ATOM 399 CA VAL A 29 -1.568 5.758 -0.562 1.00 0.00 C ATOM 400 C VAL A 29 -2.382 5.244 -1.744 1.00 0.00 C ATOM 401 O VAL A 29 -1.968 5.367 -2.897 1.00 0.00 O ATOM 402 CB VAL A 29 -1.761 7.281 -0.442 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.927 8.009 -1.485 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.233 7.643 -0.577 1.00 0.00 C ATOM 0 H VAL A 29 0.262 5.709 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.921 5.282 0.353 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.421 7.596 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.076 9.084 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.127 7.774 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.233 7.692 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.352 8.723 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.601 7.315 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.803 7.151 0.211 1.00 0.00 H new ATOM 414 N VAL A 30 -3.543 4.668 -1.450 1.00 0.00 N ATOM 415 CA VAL A 30 -4.418 4.136 -2.489 1.00 0.00 C ATOM 416 C VAL A 30 -5.829 4.698 -2.359 1.00 0.00 C ATOM 417 O VAL A 30 -6.370 4.794 -1.258 1.00 0.00 O ATOM 418 CB VAL A 30 -4.482 2.598 -2.435 1.00 0.00 C ATOM 419 CG1 VAL A 30 -3.168 1.992 -2.906 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.822 2.128 -1.029 1.00 0.00 C ATOM 0 H VAL A 30 -3.900 4.558 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.996 4.441 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.271 2.261 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.232 0.905 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.972 2.302 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.358 2.335 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.863 1.039 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.057 2.475 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.790 2.533 -0.734 1.00 0.00 H new ATOM 430 N GLU A 31 -6.420 5.066 -3.491 1.00 0.00 N ATOM 431 CA GLU A 31 -7.769 5.619 -3.504 1.00 0.00 C ATOM 432 C GLU A 31 -8.781 4.573 -3.962 1.00 0.00 C ATOM 433 O GLU A 31 -8.524 3.811 -4.895 1.00 0.00 O ATOM 434 CB GLU A 31 -7.835 6.843 -4.419 1.00 0.00 C ATOM 435 CG GLU A 31 -8.854 7.880 -3.977 1.00 0.00 C ATOM 436 CD GLU A 31 -8.266 8.912 -3.034 1.00 0.00 C ATOM 437 OE1 GLU A 31 -7.111 9.331 -3.260 1.00 0.00 O ATOM 438 OE2 GLU A 31 -8.959 9.299 -2.070 1.00 0.00 O ATOM 0 H GLU A 31 -5.986 4.991 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.019 5.922 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.850 7.308 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.076 6.517 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.258 8.384 -4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.688 7.378 -3.486 1.00 0.00 H new ATOM 445 N LEU A 32 -9.932 4.542 -3.300 1.00 0.00 N ATOM 446 CA LEU A 32 -10.984 3.589 -3.639 1.00 0.00 C ATOM 447 C LEU A 32 -12.224 4.310 -4.160 1.00 0.00 C ATOM 448 O LEU A 32 -12.656 5.312 -3.592 1.00 0.00 O ATOM 449 CB LEU A 32 -11.347 2.745 -2.416 1.00 0.00 C ATOM 450 CG LEU A 32 -10.173 2.149 -1.639 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.540 1.965 -0.175 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.743 0.825 -2.253 1.00 0.00 C ATOM 0 H LEU A 32 -10.161 5.165 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.609 2.935 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.932 3.362 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.993 1.929 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.334 2.843 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.692 1.540 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.797 2.931 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.394 1.292 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.906 0.416 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.577 0.124 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.437 0.986 -3.287 1.00 0.00 H new ATOM 464 N ALA A 33 -12.792 3.790 -5.243 1.00 0.00 N ATOM 465 CA ALA A 33 -13.984 4.381 -5.838 1.00 0.00 C ATOM 466 C ALA A 33 -15.157 4.350 -4.864 1.00 0.00 C ATOM 467 O ALA A 33 -16.088 5.148 -4.973 1.00 0.00 O ATOM 468 CB ALA A 33 -14.346 3.655 -7.126 1.00 0.00 C ATOM 0 H ALA A 33 -12.446 2.961 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.766 5.423 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.238 4.107 -7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.520 3.733 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.540 2.604 -6.909 1.00 0.00 H new ATOM 474 N ASP A 34 -15.106 3.424 -3.913 1.00 0.00 N ATOM 475 CA ASP A 34 -16.164 3.290 -2.918 1.00 0.00 C ATOM 476 C ASP A 34 -15.641 2.610 -1.657 1.00 0.00 C ATOM 477 O ASP A 34 -14.825 1.690 -1.711 1.00 0.00 O ATOM 478 CB ASP A 34 -17.336 2.494 -3.494 1.00 0.00 C ATOM 479 CG ASP A 34 -18.122 3.283 -4.523 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.585 4.394 -4.191 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.273 2.789 -5.659 1.00 0.00 O ATOM 0 H ASP A 34 -14.343 2.755 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.509 4.289 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.960 1.579 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.001 2.195 -2.684 1.00 0.00 H new ATOM 486 N PRO A 35 -16.122 3.072 -0.493 1.00 0.00 N ATOM 487 CA PRO A 35 -15.716 2.523 0.805 1.00 0.00 C ATOM 488 C PRO A 35 -16.252 1.113 1.031 1.00 0.00 C ATOM 489 O PRO A 35 -15.782 0.392 1.910 1.00 0.00 O ATOM 490 CB PRO A 35 -16.334 3.497 1.811 1.00 0.00 C ATOM 491 CG PRO A 35 -17.495 4.095 1.095 1.00 0.00 C ATOM 492 CD PRO A 35 -17.098 4.166 -0.353 1.00 0.00 C ATOM 0 HA PRO A 35 -14.633 2.432 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.651 2.982 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.618 4.262 2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.389 3.485 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.725 5.086 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.955 4.027 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.658 5.132 -0.602 1.00 0.00 H new ATOM 500 N LYS A 36 -17.240 0.725 0.230 1.00 0.00 N ATOM 501 CA LYS A 36 -17.839 -0.599 0.341 1.00 0.00 C ATOM 502 C LYS A 36 -16.783 -1.689 0.189 1.00 0.00 C ATOM 503 O LYS A 36 -16.867 -2.741 0.824 1.00 0.00 O ATOM 504 CB LYS A 36 -18.929 -0.778 -0.719 1.00 0.00 C ATOM 505 CG LYS A 36 -20.105 0.167 -0.548 1.00 0.00 C ATOM 506 CD LYS A 36 -21.106 0.023 -1.682 1.00 0.00 C ATOM 507 CE LYS A 36 -21.969 1.267 -1.825 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.889 1.172 -2.993 1.00 0.00 N ATOM 0 H LYS A 36 -17.642 1.310 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.285 -0.687 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.492 -0.626 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.291 -1.805 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -20.599 -0.034 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.744 1.195 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.575 -0.162 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.742 -0.843 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -22.551 1.412 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -21.329 2.142 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.460 2.039 -3.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.333 1.059 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -23.517 0.352 -2.874 1.00 0.00 H new ATOM 522 N LEU A 37 -15.790 -1.430 -0.655 1.00 0.00 N ATOM 523 CA LEU A 37 -14.716 -2.389 -0.889 1.00 0.00 C ATOM 524 C LEU A 37 -13.703 -2.361 0.251 1.00 0.00 C ATOM 525 O LEU A 37 -13.541 -1.344 0.924 1.00 0.00 O ATOM 526 CB LEU A 37 -14.017 -2.088 -2.216 1.00 0.00 C ATOM 527 CG LEU A 37 -14.926 -1.956 -3.438 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.144 -1.425 -4.630 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.568 -3.295 -3.773 1.00 0.00 C ATOM 0 H LEU A 37 -15.706 -0.565 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.155 -3.385 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.454 -1.161 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.293 -2.880 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.718 -1.245 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.807 -1.338 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.733 -0.445 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.331 -2.111 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.212 -3.182 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.790 -4.028 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.163 -3.636 -2.925 1.00 0.00 H new ATOM 541 N GLU A 38 -13.022 -3.484 0.459 1.00 0.00 N ATOM 542 CA GLU A 38 -12.023 -3.586 1.516 1.00 0.00 C ATOM 543 C GLU A 38 -10.612 -3.562 0.936 1.00 0.00 C ATOM 544 O GLU A 38 -10.374 -4.054 -0.167 1.00 0.00 O ATOM 545 CB GLU A 38 -12.233 -4.869 2.324 1.00 0.00 C ATOM 546 CG GLU A 38 -11.724 -4.778 3.753 1.00 0.00 C ATOM 547 CD GLU A 38 -12.759 -4.212 4.706 1.00 0.00 C ATOM 548 OE1 GLU A 38 -13.845 -4.817 4.829 1.00 0.00 O ATOM 549 OE2 GLU A 38 -12.484 -3.165 5.328 1.00 0.00 O ATOM 0 H GLU A 38 -13.144 -4.335 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.140 -2.726 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.296 -5.108 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.729 -5.693 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.427 -5.770 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.832 -4.152 3.778 1.00 0.00 H new ATOM 556 N VAL A 39 -9.679 -2.986 1.688 1.00 0.00 N ATOM 557 CA VAL A 39 -8.291 -2.898 1.250 1.00 0.00 C ATOM 558 C VAL A 39 -7.407 -3.867 2.027 1.00 0.00 C ATOM 559 O VAL A 39 -7.660 -4.154 3.197 1.00 0.00 O ATOM 560 CB VAL A 39 -7.739 -1.470 1.418 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.482 -0.500 0.511 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.832 -1.031 2.871 1.00 0.00 C ATOM 0 H VAL A 39 -9.859 -2.573 2.603 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.275 -3.164 0.193 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.688 -1.469 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.078 0.504 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.359 -0.806 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.542 -0.502 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.438 -0.020 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.874 -1.047 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.251 -1.711 3.494 1.00 0.00 H new ATOM 572 N LYS A 40 -6.368 -4.369 1.368 1.00 0.00 N ATOM 573 CA LYS A 40 -5.443 -5.305 1.996 1.00 0.00 C ATOM 574 C LYS A 40 -4.029 -5.120 1.454 1.00 0.00 C ATOM 575 O LYS A 40 -3.803 -5.196 0.247 1.00 0.00 O ATOM 576 CB LYS A 40 -5.906 -6.745 1.761 1.00 0.00 C ATOM 577 CG LYS A 40 -7.075 -7.159 2.638 1.00 0.00 C ATOM 578 CD LYS A 40 -7.845 -8.319 2.030 1.00 0.00 C ATOM 579 CE LYS A 40 -8.941 -7.830 1.094 1.00 0.00 C ATOM 580 NZ LYS A 40 -9.337 -8.875 0.110 1.00 0.00 N ATOM 0 H LYS A 40 -6.145 -4.143 0.399 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.432 -5.103 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.189 -6.861 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.070 -7.421 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.708 -7.442 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.744 -6.310 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.159 -8.966 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.285 -8.921 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.812 -7.533 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.596 -6.943 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.085 -8.503 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.512 -9.141 -0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.690 -9.712 0.616 1.00 0.00 H new ATOM 594 N TRP A 41 -3.084 -4.877 2.354 1.00 0.00 N ATOM 595 CA TRP A 41 -1.691 -4.682 1.966 1.00 0.00 C ATOM 596 C TRP A 41 -0.901 -5.979 2.105 1.00 0.00 C ATOM 597 O TRP A 41 -1.136 -6.764 3.023 1.00 0.00 O ATOM 598 CB TRP A 41 -1.051 -3.586 2.819 1.00 0.00 C ATOM 599 CG TRP A 41 -1.656 -2.233 2.598 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.824 -1.761 3.127 1.00 0.00 C ATOM 601 CD2 TRP A 41 -1.125 -1.178 1.789 1.00 0.00 C ATOM 602 NE1 TRP A 41 -3.050 -0.476 2.695 1.00 0.00 N ATOM 603 CE2 TRP A 41 -2.023 -0.095 1.874 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.021 -1.042 1.002 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.807 1.104 1.201 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.234 0.150 0.334 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.676 1.210 0.437 1.00 0.00 C ATOM 0 H TRP A 41 -3.256 -4.810 3.357 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.670 -4.376 0.920 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.147 -3.852 3.872 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.015 -3.540 2.598 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.474 -2.316 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.853 0.101 2.946 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.728 -1.854 0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.507 1.922 1.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.117 0.266 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.482 2.129 -0.097 1.00 0.00 H new ATOM 618 N TYR A 42 0.037 -6.196 1.189 1.00 0.00 N ATOM 619 CA TYR A 42 0.861 -7.399 1.209 1.00 0.00 C ATOM 620 C TYR A 42 2.294 -7.084 0.794 1.00 0.00 C ATOM 621 O TYR A 42 2.534 -6.214 -0.043 1.00 0.00 O ATOM 622 CB TYR A 42 0.270 -8.462 0.282 1.00 0.00 C ATOM 623 CG TYR A 42 -1.082 -8.971 0.726 1.00 0.00 C ATOM 624 CD1 TYR A 42 -1.189 -10.032 1.617 1.00 0.00 C ATOM 625 CD2 TYR A 42 -2.254 -8.390 0.256 1.00 0.00 C ATOM 626 CE1 TYR A 42 -2.422 -10.501 2.026 1.00 0.00 C ATOM 627 CE2 TYR A 42 -3.492 -8.851 0.660 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.571 -9.907 1.545 1.00 0.00 C ATOM 629 OH TYR A 42 -4.802 -10.370 1.949 1.00 0.00 O ATOM 0 H TYR A 42 0.245 -5.555 0.424 1.00 0.00 H new ATOM 0 HA TYR A 42 0.874 -7.784 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.180 -8.047 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.962 -9.302 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.292 -10.498 1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.196 -7.564 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.487 -11.328 2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.393 -8.388 0.285 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.732 -10.736 2.855 1.00 0.00 H new ATOM 639 N LYS A 43 3.245 -7.800 1.385 1.00 0.00 N ATOM 640 CA LYS A 43 4.656 -7.601 1.077 1.00 0.00 C ATOM 641 C LYS A 43 5.338 -8.930 0.767 1.00 0.00 C ATOM 642 O LYS A 43 5.659 -9.698 1.673 1.00 0.00 O ATOM 643 CB LYS A 43 5.363 -6.913 2.247 1.00 0.00 C ATOM 644 CG LYS A 43 6.873 -6.849 2.093 1.00 0.00 C ATOM 645 CD LYS A 43 7.552 -6.487 3.403 1.00 0.00 C ATOM 646 CE LYS A 43 9.067 -6.493 3.266 1.00 0.00 C ATOM 647 NZ LYS A 43 9.731 -5.830 4.422 1.00 0.00 N ATOM 0 H LYS A 43 3.064 -8.524 2.080 1.00 0.00 H new ATOM 0 HA LYS A 43 4.723 -6.964 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.974 -5.900 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.122 -7.443 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.245 -7.812 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.131 -6.112 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.219 -5.501 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.253 -7.194 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.420 -7.521 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.350 -5.985 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.762 -5.855 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.414 -4.842 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.481 -6.330 5.299 1.00 0.00 H new ATOM 661 N ASN A 44 5.558 -9.192 -0.517 1.00 0.00 N ATOM 662 CA ASN A 44 6.203 -10.428 -0.945 1.00 0.00 C ATOM 663 C ASN A 44 5.290 -11.628 -0.711 1.00 0.00 C ATOM 664 O ASN A 44 5.736 -12.682 -0.261 1.00 0.00 O ATOM 665 CB ASN A 44 7.523 -10.624 -0.196 1.00 0.00 C ATOM 666 CG ASN A 44 8.427 -11.636 -0.874 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.200 -12.017 -2.022 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.460 -12.076 -0.164 1.00 0.00 N ATOM 0 H ASN A 44 5.299 -8.565 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 44 6.406 -10.352 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.042 -9.668 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.315 -10.952 0.822 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.103 -12.757 -0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.610 -11.733 0.785 1.00 0.00 H new ATOM 675 N GLY A 45 4.008 -11.458 -1.020 1.00 0.00 N ATOM 676 CA GLY A 45 3.052 -12.534 -0.838 1.00 0.00 C ATOM 677 C GLY A 45 2.785 -12.831 0.625 1.00 0.00 C ATOM 678 O GLY A 45 2.576 -13.983 1.002 1.00 0.00 O ATOM 0 H GLY A 45 3.615 -10.594 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.115 -12.270 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.425 -13.434 -1.326 1.00 0.00 H new ATOM 682 N GLN A 46 2.794 -11.789 1.449 1.00 0.00 N ATOM 683 CA GLN A 46 2.553 -11.944 2.879 1.00 0.00 C ATOM 684 C GLN A 46 1.733 -10.779 3.423 1.00 0.00 C ATOM 685 O GLN A 46 1.988 -9.622 3.093 1.00 0.00 O ATOM 686 CB GLN A 46 3.880 -12.045 3.633 1.00 0.00 C ATOM 687 CG GLN A 46 3.722 -12.045 5.145 1.00 0.00 C ATOM 688 CD GLN A 46 4.887 -12.709 5.853 1.00 0.00 C ATOM 689 OE1 GLN A 46 5.999 -12.765 5.327 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.637 -13.218 7.054 1.00 0.00 N ATOM 0 H GLN A 46 2.965 -10.828 1.152 1.00 0.00 H new ATOM 0 HA GLN A 46 1.987 -12.863 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.392 -12.958 3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.518 -11.210 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.626 -11.018 5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.799 -12.560 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.700 -13.149 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.382 -13.678 7.578 1.00 0.00 H new ATOM 699 N GLU A 47 0.748 -11.094 4.258 1.00 0.00 N ATOM 700 CA GLU A 47 -0.110 -10.073 4.846 1.00 0.00 C ATOM 701 C GLU A 47 0.679 -9.185 5.804 1.00 0.00 C ATOM 702 O GLU A 47 1.418 -9.679 6.657 1.00 0.00 O ATOM 703 CB GLU A 47 -1.283 -10.722 5.583 1.00 0.00 C ATOM 704 CG GLU A 47 -2.384 -9.744 5.957 1.00 0.00 C ATOM 705 CD GLU A 47 -3.209 -10.218 7.137 1.00 0.00 C ATOM 706 OE1 GLU A 47 -2.615 -10.737 8.106 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.448 -10.071 7.093 1.00 0.00 O ATOM 0 H GLU A 47 0.525 -12.048 4.542 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.498 -9.452 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.704 -11.508 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.911 -11.201 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.941 -8.777 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.038 -9.593 5.098 1.00 0.00 H new ATOM 714 N ILE A 48 0.516 -7.875 5.658 1.00 0.00 N ATOM 715 CA ILE A 48 1.212 -6.919 6.510 1.00 0.00 C ATOM 716 C ILE A 48 0.420 -6.639 7.783 1.00 0.00 C ATOM 717 O ILE A 48 -0.806 -6.527 7.751 1.00 0.00 O ATOM 718 CB ILE A 48 1.467 -5.590 5.775 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.459 -5.799 4.628 1.00 0.00 C ATOM 720 CG2 ILE A 48 1.984 -4.539 6.745 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.530 -4.630 3.671 1.00 0.00 C ATOM 0 H ILE A 48 -0.092 -7.451 4.957 1.00 0.00 H new ATOM 0 HA ILE A 48 2.170 -7.369 6.772 1.00 0.00 H new ATOM 0 HB ILE A 48 0.525 -5.237 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.450 -5.979 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.178 -6.695 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.159 -3.605 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.246 -4.374 7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.917 -4.883 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.252 -4.847 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.549 -4.463 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.840 -3.736 4.211 1.00 0.00 H new ATOM 733 N ARG A 49 1.129 -6.525 8.901 1.00 0.00 N ATOM 734 CA ARG A 49 0.492 -6.256 10.185 1.00 0.00 C ATOM 735 C ARG A 49 0.822 -4.849 10.672 1.00 0.00 C ATOM 736 O ARG A 49 1.937 -4.353 10.505 1.00 0.00 O ATOM 737 CB ARG A 49 0.939 -7.286 11.225 1.00 0.00 C ATOM 738 CG ARG A 49 0.475 -8.701 10.920 1.00 0.00 C ATOM 739 CD ARG A 49 1.469 -9.433 10.033 1.00 0.00 C ATOM 740 NE ARG A 49 2.625 -9.913 10.785 1.00 0.00 N ATOM 741 CZ ARG A 49 3.730 -10.381 10.215 1.00 0.00 C ATOM 742 NH1 ARG A 49 3.828 -10.433 8.894 1.00 0.00 N ATOM 743 NH2 ARG A 49 4.740 -10.799 10.968 1.00 0.00 N ATOM 0 H ARG A 49 2.144 -6.615 8.944 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.587 -6.330 10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.027 -7.276 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.559 -6.991 12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.343 -9.251 11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.498 -8.668 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.973 -10.277 9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.805 -8.767 9.239 1.00 0.00 H new ATOM 0 HE ARG A 49 2.582 -9.888 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.054 -10.113 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.678 -10.793 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.668 -10.761 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.588 -11.158 10.530 1.00 0.00 H new ATOM 757 N PRO A 50 -0.169 -4.188 11.289 1.00 0.00 N ATOM 758 CA PRO A 50 -0.008 -2.828 11.813 1.00 0.00 C ATOM 759 C PRO A 50 0.913 -2.780 13.028 1.00 0.00 C ATOM 760 O PRO A 50 0.622 -3.382 14.062 1.00 0.00 O ATOM 761 CB PRO A 50 -1.432 -2.428 12.205 1.00 0.00 C ATOM 762 CG PRO A 50 -2.129 -3.718 12.469 1.00 0.00 C ATOM 763 CD PRO A 50 -1.523 -4.717 11.523 1.00 0.00 C ATOM 0 HA PRO A 50 0.451 -2.161 11.083 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.435 -1.789 13.088 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.921 -1.870 11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.994 -4.030 13.505 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.202 -3.623 12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.494 -5.716 11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.092 -4.789 10.596 1.00 0.00 H new ATOM 771 N SER A 51 2.023 -2.062 12.896 1.00 0.00 N ATOM 772 CA SER A 51 2.987 -1.938 13.982 1.00 0.00 C ATOM 773 C SER A 51 3.701 -0.591 13.925 1.00 0.00 C ATOM 774 O SER A 51 3.455 0.218 13.030 1.00 0.00 O ATOM 775 CB SER A 51 4.011 -3.074 13.915 1.00 0.00 C ATOM 776 OG SER A 51 3.503 -4.254 14.513 1.00 0.00 O ATOM 0 H SER A 51 2.277 -1.557 12.047 1.00 0.00 H new ATOM 0 HA SER A 51 2.444 -2.002 14.925 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.271 -3.272 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.928 -2.772 14.421 1.00 0.00 H new ATOM 0 HG SER A 51 2.530 -4.183 14.602 1.00 0.00 H new ATOM 782 N THR A 52 4.587 -0.356 14.888 1.00 0.00 N ATOM 783 CA THR A 52 5.336 0.892 14.949 1.00 0.00 C ATOM 784 C THR A 52 6.083 1.150 13.646 1.00 0.00 C ATOM 785 O THR A 52 6.509 2.273 13.373 1.00 0.00 O ATOM 786 CB THR A 52 6.345 0.886 16.113 1.00 0.00 C ATOM 787 OG1 THR A 52 7.191 2.038 16.035 1.00 0.00 O ATOM 788 CG2 THR A 52 7.195 -0.376 16.085 1.00 0.00 C ATOM 0 H THR A 52 4.803 -1.014 15.636 1.00 0.00 H new ATOM 0 HA THR A 52 4.609 1.688 15.112 1.00 0.00 H new ATOM 0 HB THR A 52 5.786 0.909 17.049 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.208 2.369 15.113 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.900 -0.358 16.916 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.551 -1.251 16.174 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.744 -0.424 15.144 1.00 0.00 H new ATOM 796 N LYS A 53 6.240 0.103 12.842 1.00 0.00 N ATOM 797 CA LYS A 53 6.934 0.216 11.565 1.00 0.00 C ATOM 798 C LYS A 53 5.959 0.561 10.444 1.00 0.00 C ATOM 799 O LYS A 53 6.303 1.285 9.509 1.00 0.00 O ATOM 800 CB LYS A 53 7.660 -1.091 11.239 1.00 0.00 C ATOM 801 CG LYS A 53 8.448 -1.042 9.941 1.00 0.00 C ATOM 802 CD LYS A 53 9.132 -2.368 9.654 1.00 0.00 C ATOM 803 CE LYS A 53 9.356 -2.567 8.163 1.00 0.00 C ATOM 804 NZ LYS A 53 10.550 -1.822 7.677 1.00 0.00 N ATOM 0 H LYS A 53 5.896 -0.834 13.053 1.00 0.00 H new ATOM 0 HA LYS A 53 7.665 1.020 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.338 -1.334 12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.929 -1.898 11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.779 -0.791 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.195 -0.251 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.089 -2.406 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.524 -3.184 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.481 -3.629 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.474 -2.235 7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.860 -2.219 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.306 -0.819 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.319 -1.907 8.372 1.00 0.00 H new ATOM 818 N TYR A 54 4.741 0.041 10.545 1.00 0.00 N ATOM 819 CA TYR A 54 3.716 0.294 9.539 1.00 0.00 C ATOM 820 C TYR A 54 2.670 1.274 10.061 1.00 0.00 C ATOM 821 O TYR A 54 2.029 1.029 11.084 1.00 0.00 O ATOM 822 CB TYR A 54 3.042 -1.016 9.126 1.00 0.00 C ATOM 823 CG TYR A 54 4.012 -2.067 8.635 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.545 -2.004 7.353 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.395 -3.123 9.453 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.430 -2.963 6.900 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.281 -4.085 9.008 1.00 0.00 C ATOM 828 CZ TYR A 54 5.796 -4.001 7.731 1.00 0.00 C ATOM 829 OH TYR A 54 6.678 -4.958 7.285 1.00 0.00 O ATOM 0 H TYR A 54 4.439 -0.558 11.313 1.00 0.00 H new ATOM 0 HA TYR A 54 4.200 0.736 8.668 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.488 -1.414 9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.315 -0.809 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.262 -1.192 6.700 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.993 -3.193 10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.833 -2.900 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.569 -4.899 9.657 1.00 0.00 H new ATOM 0 HH TYR A 54 6.831 -5.618 7.994 1.00 0.00 H new ATOM 839 N ILE A 55 2.503 2.385 9.351 1.00 0.00 N ATOM 840 CA ILE A 55 1.534 3.402 9.741 1.00 0.00 C ATOM 841 C ILE A 55 0.314 3.379 8.826 1.00 0.00 C ATOM 842 O ILE A 55 0.381 3.810 7.674 1.00 0.00 O ATOM 843 CB ILE A 55 2.155 4.811 9.715 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.579 4.774 10.273 1.00 0.00 C ATOM 845 CG2 ILE A 55 1.295 5.784 10.507 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.635 4.631 11.778 1.00 0.00 C ATOM 0 H ILE A 55 3.026 2.604 8.503 1.00 0.00 H new ATOM 0 HA ILE A 55 1.225 3.169 10.760 1.00 0.00 H new ATOM 0 HB ILE A 55 2.198 5.154 8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.118 3.943 9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.098 5.688 9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.747 6.775 10.479 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.298 5.828 10.069 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.223 5.447 11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.675 4.612 12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.125 5.475 12.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.145 3.703 12.074 1.00 0.00 H new ATOM 858 N PHE A 56 -0.800 2.874 9.346 1.00 0.00 N ATOM 859 CA PHE A 56 -2.036 2.796 8.576 1.00 0.00 C ATOM 860 C PHE A 56 -2.965 3.956 8.919 1.00 0.00 C ATOM 861 O PHE A 56 -3.355 4.131 10.073 1.00 0.00 O ATOM 862 CB PHE A 56 -2.743 1.465 8.841 1.00 0.00 C ATOM 863 CG PHE A 56 -2.056 0.286 8.215 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.017 -0.355 8.869 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.449 -0.182 6.971 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.382 -1.441 8.296 1.00 0.00 C ATOM 867 CE2 PHE A 56 -1.819 -1.268 6.393 1.00 0.00 C ATOM 868 CZ PHE A 56 -0.784 -1.897 7.056 1.00 0.00 C ATOM 0 H PHE A 56 -0.872 2.513 10.297 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.781 2.860 7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.810 1.307 9.917 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.764 1.523 8.463 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.699 -0.002 9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.257 0.308 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.427 -1.932 8.817 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.136 -1.624 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.289 -2.745 6.605 1.00 0.00 H new ATOM 878 N GLU A 57 -3.314 4.746 7.909 1.00 0.00 N ATOM 879 CA GLU A 57 -4.196 5.891 8.104 1.00 0.00 C ATOM 880 C GLU A 57 -5.398 5.818 7.166 1.00 0.00 C ATOM 881 O GLU A 57 -5.390 5.074 6.185 1.00 0.00 O ATOM 882 CB GLU A 57 -3.433 7.197 7.872 1.00 0.00 C ATOM 883 CG GLU A 57 -2.551 7.602 9.041 1.00 0.00 C ATOM 884 CD GLU A 57 -2.285 9.095 9.081 1.00 0.00 C ATOM 885 OE1 GLU A 57 -3.262 9.872 9.099 1.00 0.00 O ATOM 886 OE2 GLU A 57 -1.099 9.485 9.094 1.00 0.00 O ATOM 0 H GLU A 57 -3.000 4.614 6.948 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.557 5.868 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.815 7.093 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.148 7.995 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.026 7.296 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.602 7.069 8.977 1.00 0.00 H new ATOM 893 N HIS A 58 -6.430 6.596 7.476 1.00 0.00 N ATOM 894 CA HIS A 58 -7.640 6.620 6.662 1.00 0.00 C ATOM 895 C HIS A 58 -8.113 8.052 6.434 1.00 0.00 C ATOM 896 O HIS A 58 -8.331 8.804 7.385 1.00 0.00 O ATOM 897 CB HIS A 58 -8.747 5.805 7.331 1.00 0.00 C ATOM 898 CG HIS A 58 -9.919 5.539 6.438 1.00 0.00 C ATOM 899 ND1 HIS A 58 -10.449 4.280 6.245 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.666 6.379 5.683 1.00 0.00 C ATOM 901 CE1 HIS A 58 -11.469 4.357 5.410 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.622 5.620 5.054 1.00 0.00 N ATOM 0 H HIS A 58 -6.453 7.218 8.284 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.406 6.175 5.695 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.334 4.854 7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -9.091 6.335 8.219 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -10.106 3.423 6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.534 7.447 5.592 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.075 3.528 5.075 1.00 0.00 H new ATOM 911 N LYS A 59 -8.270 8.425 5.168 1.00 0.00 N ATOM 912 CA LYS A 59 -8.718 9.766 4.815 1.00 0.00 C ATOM 913 C LYS A 59 -9.856 9.711 3.801 1.00 0.00 C ATOM 914 O LYS A 59 -9.629 9.784 2.594 1.00 0.00 O ATOM 915 CB LYS A 59 -7.554 10.581 4.247 1.00 0.00 C ATOM 916 CG LYS A 59 -7.918 12.021 3.927 1.00 0.00 C ATOM 917 CD LYS A 59 -6.680 12.889 3.778 1.00 0.00 C ATOM 918 CE LYS A 59 -6.052 13.202 5.127 1.00 0.00 C ATOM 919 NZ LYS A 59 -6.976 13.975 6.003 1.00 0.00 N ATOM 0 H LYS A 59 -8.093 7.816 4.369 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.085 10.249 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.733 10.573 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.191 10.097 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.500 12.054 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.551 12.422 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.952 12.380 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.945 13.819 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.774 12.272 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.134 13.770 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.485 14.815 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.807 14.273 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.282 13.378 6.797 1.00 0.00 H new ATOM 933 N GLY A 60 -11.081 9.582 4.300 1.00 0.00 N ATOM 934 CA GLY A 60 -12.236 9.520 3.423 1.00 0.00 C ATOM 935 C GLY A 60 -11.955 8.753 2.147 1.00 0.00 C ATOM 936 O GLY A 60 -11.497 9.326 1.158 1.00 0.00 O ATOM 0 H GLY A 60 -11.295 9.519 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.065 9.049 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.553 10.532 3.172 1.00 0.00 H new ATOM 940 N CYS A 61 -12.228 7.453 2.168 1.00 0.00 N ATOM 941 CA CYS A 61 -11.999 6.605 1.003 1.00 0.00 C ATOM 942 C CYS A 61 -10.539 6.663 0.567 1.00 0.00 C ATOM 943 O CYS A 61 -10.241 6.750 -0.624 1.00 0.00 O ATOM 944 CB CYS A 61 -12.907 7.032 -0.151 1.00 0.00 C ATOM 945 SG CYS A 61 -14.536 7.620 0.368 1.00 0.00 S ATOM 0 H CYS A 61 -12.608 6.963 2.978 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.235 5.578 1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.411 7.821 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.036 6.188 -0.828 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.228 7.960 -0.679 1.00 0.00 H new ATOM 951 N GLN A 62 -9.634 6.616 1.539 1.00 0.00 N ATOM 952 CA GLN A 62 -8.205 6.666 1.255 1.00 0.00 C ATOM 953 C GLN A 62 -7.413 5.901 2.310 1.00 0.00 C ATOM 954 O GLN A 62 -7.600 6.105 3.510 1.00 0.00 O ATOM 955 CB GLN A 62 -7.726 8.118 1.194 1.00 0.00 C ATOM 956 CG GLN A 62 -6.302 8.267 0.683 1.00 0.00 C ATOM 957 CD GLN A 62 -5.684 9.599 1.060 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.464 9.718 1.183 1.00 0.00 O ATOM 959 NE2 GLN A 62 -6.524 10.611 1.246 1.00 0.00 N ATOM 0 H GLN A 62 -9.865 6.543 2.530 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.036 6.194 0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.396 8.686 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.794 8.557 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.689 7.460 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.296 8.162 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.528 10.468 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.165 11.531 1.501 1.00 0.00 H new ATOM 968 N ARG A 63 -6.529 5.019 1.855 1.00 0.00 N ATOM 969 CA ARG A 63 -5.710 4.222 2.760 1.00 0.00 C ATOM 970 C ARG A 63 -4.225 4.482 2.521 1.00 0.00 C ATOM 971 O ARG A 63 -3.679 4.106 1.484 1.00 0.00 O ATOM 972 CB ARG A 63 -6.013 2.734 2.580 1.00 0.00 C ATOM 973 CG ARG A 63 -7.393 2.330 3.072 1.00 0.00 C ATOM 974 CD ARG A 63 -7.391 2.047 4.567 1.00 0.00 C ATOM 975 NE ARG A 63 -6.535 0.915 4.909 1.00 0.00 N ATOM 976 CZ ARG A 63 -6.610 0.258 6.061 1.00 0.00 C ATOM 977 NH1 ARG A 63 -7.498 0.619 6.976 1.00 0.00 N ATOM 978 NH2 ARG A 63 -5.796 -0.763 6.298 1.00 0.00 N ATOM 0 H ARG A 63 -6.362 4.838 0.865 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.953 4.514 3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.924 2.479 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.262 2.152 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.106 3.125 2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.727 1.443 2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.051 2.933 5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.409 1.845 4.899 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.841 0.612 4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.126 1.403 6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.554 0.113 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.112 -1.044 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.854 -1.267 7.183 1.00 0.00 H new ATOM 992 N ILE A 64 -3.580 5.127 3.487 1.00 0.00 N ATOM 993 CA ILE A 64 -2.159 5.436 3.381 1.00 0.00 C ATOM 994 C ILE A 64 -1.322 4.458 4.198 1.00 0.00 C ATOM 995 O ILE A 64 -1.806 3.861 5.160 1.00 0.00 O ATOM 996 CB ILE A 64 -1.859 6.871 3.853 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.911 7.841 3.311 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.465 7.293 3.412 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.116 7.990 4.213 1.00 0.00 C ATOM 0 H ILE A 64 -4.018 5.446 4.351 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.893 5.346 2.328 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.898 6.894 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.452 8.819 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.241 7.496 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.268 8.309 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.273 6.616 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.401 7.256 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.820 8.692 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.599 7.021 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.798 8.364 5.186 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.061 4.300 3.810 1.00 0.00 N ATOM 1012 CA LEU A 65 0.847 3.396 4.507 1.00 0.00 C ATOM 1013 C LEU A 65 2.275 3.931 4.482 1.00 0.00 C ATOM 1014 O LEU A 65 2.804 4.267 3.422 1.00 0.00 O ATOM 1015 CB LEU A 65 0.800 2.005 3.873 1.00 0.00 C ATOM 1016 CG LEU A 65 1.442 0.877 4.680 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.943 0.833 4.436 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.146 1.047 6.163 1.00 0.00 C ATOM 0 H LEU A 65 0.356 4.786 3.016 1.00 0.00 H new ATOM 0 HA LEU A 65 0.524 3.326 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.243 1.746 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.291 2.054 2.901 1.00 0.00 H new ATOM 0 HG LEU A 65 1.013 -0.069 4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.383 0.024 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.135 0.663 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.389 1.781 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.611 0.235 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.547 2.000 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.068 1.027 6.323 1.00 0.00 H new ATOM 1030 N PHE A 66 2.895 4.005 5.655 1.00 0.00 N ATOM 1031 CA PHE A 66 4.263 4.498 5.767 1.00 0.00 C ATOM 1032 C PHE A 66 5.157 3.469 6.452 1.00 0.00 C ATOM 1033 O PHE A 66 4.921 3.094 7.601 1.00 0.00 O ATOM 1034 CB PHE A 66 4.291 5.815 6.546 1.00 0.00 C ATOM 1035 CG PHE A 66 3.549 6.930 5.866 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.187 7.740 4.940 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.214 7.168 6.152 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.507 8.767 4.314 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.529 8.193 5.528 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.176 8.993 4.607 1.00 0.00 C ATOM 0 H PHE A 66 2.472 3.730 6.541 1.00 0.00 H new ATOM 0 HA PHE A 66 4.644 4.672 4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.861 5.653 7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.327 6.117 6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.227 7.567 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.703 6.545 6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.016 9.393 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.489 8.368 5.760 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.642 9.794 4.117 1.00 0.00 H new ATOM 1050 N ILE A 67 6.183 3.017 5.739 1.00 0.00 N ATOM 1051 CA ILE A 67 7.112 2.033 6.278 1.00 0.00 C ATOM 1052 C ILE A 67 8.412 2.692 6.726 1.00 0.00 C ATOM 1053 O ILE A 67 9.128 3.286 5.921 1.00 0.00 O ATOM 1054 CB ILE A 67 7.435 0.938 5.244 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.145 0.290 4.736 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.356 -0.110 5.852 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.329 -0.503 3.461 1.00 0.00 C ATOM 0 H ILE A 67 6.392 3.317 4.787 1.00 0.00 H new ATOM 0 HA ILE A 67 6.623 1.576 7.139 1.00 0.00 H new ATOM 0 HB ILE A 67 7.947 1.397 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.749 -0.368 5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.400 1.067 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.575 -0.877 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.285 0.363 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.868 -0.568 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.374 -0.934 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.695 0.155 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.050 -1.302 3.631 1.00 0.00 H new ATOM 1069 N ASN A 68 8.712 2.580 8.016 1.00 0.00 N ATOM 1070 CA ASN A 68 9.927 3.164 8.572 1.00 0.00 C ATOM 1071 C ASN A 68 11.069 2.152 8.567 1.00 0.00 C ATOM 1072 O ASN A 68 10.853 0.959 8.361 1.00 0.00 O ATOM 1073 CB ASN A 68 9.675 3.658 9.998 1.00 0.00 C ATOM 1074 CG ASN A 68 8.686 4.807 10.045 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.068 5.974 9.955 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.407 4.481 10.188 1.00 0.00 N ATOM 0 H ASN A 68 8.130 2.090 8.696 1.00 0.00 H new ATOM 0 HA ASN A 68 10.212 4.010 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.299 2.834 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.619 3.976 10.442 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.696 5.211 10.227 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.135 3.500 10.259 1.00 0.00 H new ATOM 1083 N ASN A 69 12.285 2.638 8.796 1.00 0.00 N ATOM 1084 CA ASN A 69 13.461 1.776 8.818 1.00 0.00 C ATOM 1085 C ASN A 69 13.661 1.094 7.468 1.00 0.00 C ATOM 1086 O ASN A 69 13.999 -0.088 7.403 1.00 0.00 O ATOM 1087 CB ASN A 69 13.326 0.722 9.919 1.00 0.00 C ATOM 1088 CG ASN A 69 13.664 1.273 11.291 1.00 0.00 C ATOM 1089 OD1 ASN A 69 14.477 2.188 11.422 1.00 0.00 O ATOM 1090 ND2 ASN A 69 13.039 0.717 12.323 1.00 0.00 N ATOM 0 H ASN A 69 12.481 3.624 8.969 1.00 0.00 H new ATOM 0 HA ASN A 69 14.332 2.398 9.024 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.306 0.337 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.983 -0.119 9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.226 1.047 13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.372 -0.039 12.168 1.00 0.00 H new ATOM 1097 N CYS A 70 13.451 1.847 6.395 1.00 0.00 N ATOM 1098 CA CYS A 70 13.608 1.316 5.045 1.00 0.00 C ATOM 1099 C CYS A 70 15.061 0.937 4.776 1.00 0.00 C ATOM 1100 O CYS A 70 15.894 1.797 4.493 1.00 0.00 O ATOM 1101 CB CYS A 70 13.136 2.342 4.013 1.00 0.00 C ATOM 1102 SG CYS A 70 11.361 2.681 4.068 1.00 0.00 S ATOM 0 H CYS A 70 13.172 2.827 6.433 1.00 0.00 H new ATOM 0 HA CYS A 70 12.996 0.418 4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.678 3.275 4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.396 1.985 3.016 1.00 0.00 H new ATOM 0 HG CYS A 70 10.978 2.787 5.306 1.00 0.00 H new ATOM 1108 N GLN A 71 15.356 -0.356 4.869 1.00 0.00 N ATOM 1109 CA GLN A 71 16.709 -0.848 4.638 1.00 0.00 C ATOM 1110 C GLN A 71 16.831 -1.474 3.252 1.00 0.00 C ATOM 1111 O GLN A 71 15.853 -1.978 2.700 1.00 0.00 O ATOM 1112 CB GLN A 71 17.092 -1.871 5.708 1.00 0.00 C ATOM 1113 CG GLN A 71 18.580 -1.902 6.016 1.00 0.00 C ATOM 1114 CD GLN A 71 18.970 -0.928 7.110 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.105 0.344 6.751 1.00 0.00 O flip ATOM 1116 NE2 GLN A 71 19.149 -1.314 8.265 1.00 0.00 N flip ATOM 0 H GLN A 71 14.677 -1.081 5.102 1.00 0.00 H new ATOM 0 HA GLN A 71 17.392 -0.000 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.545 -1.648 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.777 -2.862 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.864 -2.911 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.140 -1.668 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.034 -2.301 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.412 -0.647 8.991 1.00 0.00 H new ATOM 1125 N MET A 72 18.037 -1.438 2.696 1.00 0.00 N ATOM 1126 CA MET A 72 18.287 -2.004 1.375 1.00 0.00 C ATOM 1127 C MET A 72 17.642 -3.379 1.242 1.00 0.00 C ATOM 1128 O MET A 72 17.111 -3.729 0.187 1.00 0.00 O ATOM 1129 CB MET A 72 19.791 -2.106 1.116 1.00 0.00 C ATOM 1130 CG MET A 72 20.167 -1.957 -0.349 1.00 0.00 C ATOM 1131 SD MET A 72 19.342 -3.166 -1.403 1.00 0.00 S ATOM 1132 CE MET A 72 18.373 -2.090 -2.457 1.00 0.00 C ATOM 0 H MET A 72 18.857 -1.023 3.139 1.00 0.00 H new ATOM 0 HA MET A 72 17.843 -1.340 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 72 20.304 -1.337 1.694 1.00 0.00 H new ATOM 0 HB3 MET A 72 20.149 -3.070 1.478 1.00 0.00 H new ATOM 0 HG2 MET A 72 19.911 -0.952 -0.686 1.00 0.00 H new ATOM 0 HG3 MET A 72 21.246 -2.064 -0.456 1.00 0.00 H new ATOM 0 HE1 MET A 72 17.818 -2.690 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 72 17.674 -1.517 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 72 19.036 -1.407 -2.988 1.00 0.00 H new ATOM 1142 N THR A 73 17.691 -4.158 2.318 1.00 0.00 N ATOM 1143 CA THR A 73 17.113 -5.496 2.321 1.00 0.00 C ATOM 1144 C THR A 73 15.591 -5.437 2.259 1.00 0.00 C ATOM 1145 O THR A 73 14.958 -6.217 1.546 1.00 0.00 O ATOM 1146 CB THR A 73 17.534 -6.288 3.573 1.00 0.00 C ATOM 1147 OG1 THR A 73 17.164 -5.569 4.755 1.00 0.00 O ATOM 1148 CG2 THR A 73 19.035 -6.539 3.575 1.00 0.00 C ATOM 0 H THR A 73 18.126 -3.885 3.199 1.00 0.00 H new ATOM 0 HA THR A 73 17.491 -6.005 1.435 1.00 0.00 H new ATOM 0 HB THR A 73 17.021 -7.249 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.434 -6.080 5.547 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.309 -7.100 4.469 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.309 -7.112 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 73 19.563 -5.586 3.569 1.00 0.00 H new ATOM 1156 N ASP A 74 15.008 -4.509 3.010 1.00 0.00 N ATOM 1157 CA ASP A 74 13.559 -4.348 3.039 1.00 0.00 C ATOM 1158 C ASP A 74 12.996 -4.243 1.625 1.00 0.00 C ATOM 1159 O ASP A 74 11.959 -4.829 1.314 1.00 0.00 O ATOM 1160 CB ASP A 74 13.179 -3.105 3.846 1.00 0.00 C ATOM 1161 CG ASP A 74 13.324 -3.319 5.340 1.00 0.00 C ATOM 1162 OD1 ASP A 74 14.402 -3.780 5.772 1.00 0.00 O ATOM 1163 OD2 ASP A 74 12.361 -3.024 6.077 1.00 0.00 O ATOM 0 H ASP A 74 15.517 -3.857 3.607 1.00 0.00 H new ATOM 0 HA ASP A 74 13.129 -5.228 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.808 -2.269 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.149 -2.829 3.620 1.00 0.00 H new ATOM 1168 N ASP A 75 13.685 -3.492 0.773 1.00 0.00 N ATOM 1169 CA ASP A 75 13.253 -3.310 -0.608 1.00 0.00 C ATOM 1170 C ASP A 75 12.593 -4.577 -1.143 1.00 0.00 C ATOM 1171 O ASP A 75 13.272 -5.496 -1.602 1.00 0.00 O ATOM 1172 CB ASP A 75 14.443 -2.928 -1.490 1.00 0.00 C ATOM 1173 CG ASP A 75 14.285 -3.415 -2.917 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.133 -3.491 -3.394 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.313 -3.721 -3.557 1.00 0.00 O ATOM 0 H ASP A 75 14.545 -2.999 1.014 1.00 0.00 H new ATOM 0 HA ASP A 75 12.520 -2.504 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.559 -1.844 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.356 -3.346 -1.065 1.00 0.00 H new ATOM 1180 N SER A 76 11.267 -4.619 -1.079 1.00 0.00 N ATOM 1181 CA SER A 76 10.515 -5.776 -1.552 1.00 0.00 C ATOM 1182 C SER A 76 9.325 -5.340 -2.401 1.00 0.00 C ATOM 1183 O SER A 76 9.024 -4.151 -2.503 1.00 0.00 O ATOM 1184 CB SER A 76 10.031 -6.615 -0.368 1.00 0.00 C ATOM 1185 OG SER A 76 9.578 -7.888 -0.796 1.00 0.00 O ATOM 0 H SER A 76 10.690 -3.866 -0.704 1.00 0.00 H new ATOM 0 HA SER A 76 11.178 -6.381 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.841 -6.737 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.224 -6.093 0.146 1.00 0.00 H new ATOM 0 HG SER A 76 10.000 -8.585 -0.252 1.00 0.00 H new ATOM 1191 N GLU A 77 8.652 -6.312 -3.009 1.00 0.00 N ATOM 1192 CA GLU A 77 7.495 -6.029 -3.851 1.00 0.00 C ATOM 1193 C GLU A 77 6.224 -5.929 -3.013 1.00 0.00 C ATOM 1194 O GLU A 77 5.988 -6.748 -2.123 1.00 0.00 O ATOM 1195 CB GLU A 77 7.333 -7.116 -4.916 1.00 0.00 C ATOM 1196 CG GLU A 77 6.644 -8.370 -4.405 1.00 0.00 C ATOM 1197 CD GLU A 77 7.086 -9.620 -5.141 1.00 0.00 C ATOM 1198 OE1 GLU A 77 7.337 -9.531 -6.362 1.00 0.00 O ATOM 1199 OE2 GLU A 77 7.182 -10.685 -4.498 1.00 0.00 O ATOM 0 H GLU A 77 8.888 -7.302 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 77 7.662 -5.071 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.761 -6.712 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.316 -7.384 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.852 -8.487 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.565 -8.255 -4.508 1.00 0.00 H new ATOM 1206 N TYR A 78 5.410 -4.921 -3.303 1.00 0.00 N ATOM 1207 CA TYR A 78 4.164 -4.711 -2.574 1.00 0.00 C ATOM 1208 C TYR A 78 2.972 -4.693 -3.527 1.00 0.00 C ATOM 1209 O TYR A 78 3.113 -4.378 -4.709 1.00 0.00 O ATOM 1210 CB TYR A 78 4.222 -3.401 -1.788 1.00 0.00 C ATOM 1211 CG TYR A 78 5.385 -3.324 -0.825 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.648 -2.941 -1.259 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.221 -3.636 0.519 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.714 -2.870 -0.382 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.280 -3.566 1.403 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.524 -3.183 0.948 1.00 0.00 C ATOM 1217 OH TYR A 78 8.582 -3.114 1.825 1.00 0.00 O ATOM 0 H TYR A 78 5.590 -4.236 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 78 4.037 -5.539 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.286 -2.569 -2.489 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.292 -3.279 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.799 -2.695 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.249 -3.938 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.690 -2.571 -0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.134 -3.810 2.445 1.00 0.00 H new ATOM 0 HH TYR A 78 8.280 -3.365 2.723 1.00 0.00 H new ATOM 1227 N TYR A 79 1.800 -5.033 -3.004 1.00 0.00 N ATOM 1228 CA TYR A 79 0.583 -5.058 -3.806 1.00 0.00 C ATOM 1229 C TYR A 79 -0.656 -4.972 -2.921 1.00 0.00 C ATOM 1230 O TYR A 79 -0.750 -5.649 -1.896 1.00 0.00 O ATOM 1231 CB TYR A 79 0.531 -6.331 -4.653 1.00 0.00 C ATOM 1232 CG TYR A 79 0.305 -7.587 -3.843 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.353 -8.202 -3.170 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.958 -8.159 -3.750 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.151 -9.351 -2.430 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.170 -9.307 -3.011 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.113 -9.899 -2.353 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.318 -11.043 -1.616 1.00 0.00 O ATOM 0 H TYR A 79 1.667 -5.295 -2.027 1.00 0.00 H new ATOM 0 HA TYR A 79 0.596 -4.190 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.267 -6.235 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.465 -6.428 -5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.343 -7.774 -3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.788 -7.698 -4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.978 -9.818 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.158 -9.738 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.586 -10.801 -0.705 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.607 -4.134 -3.323 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.842 -3.960 -2.568 1.00 0.00 C ATOM 1250 C VAL A 80 -4.046 -4.453 -3.363 1.00 0.00 C ATOM 1251 O VAL A 80 -4.130 -4.249 -4.575 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.062 -2.484 -2.186 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.321 -1.644 -3.426 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.210 -2.357 -1.196 1.00 0.00 C ATOM 0 H VAL A 80 -1.545 -3.565 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.744 -4.553 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.156 -2.111 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.474 -0.605 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.464 -1.711 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.211 -2.013 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.352 -1.308 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.123 -2.747 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.978 -2.925 -0.295 1.00 0.00 H new ATOM 1264 N THR A 81 -4.978 -5.102 -2.673 1.00 0.00 N ATOM 1265 CA THR A 81 -6.179 -5.625 -3.314 1.00 0.00 C ATOM 1266 C THR A 81 -7.430 -4.931 -2.788 1.00 0.00 C ATOM 1267 O THR A 81 -7.509 -4.584 -1.610 1.00 0.00 O ATOM 1268 CB THR A 81 -6.317 -7.143 -3.094 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.560 -7.418 -1.710 1.00 0.00 O ATOM 1270 CG2 THR A 81 -5.061 -7.872 -3.548 1.00 0.00 C ATOM 0 H THR A 81 -4.925 -5.278 -1.670 1.00 0.00 H new ATOM 0 HA THR A 81 -6.079 -5.427 -4.381 1.00 0.00 H new ATOM 0 HB THR A 81 -7.159 -7.498 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.648 -8.385 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.182 -8.943 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.895 -7.685 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.205 -7.511 -2.978 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.405 -4.732 -3.668 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.654 -4.082 -3.291 1.00 0.00 C ATOM 1280 C ALA A 82 -10.785 -4.476 -4.234 1.00 0.00 C ATOM 1281 O ALA A 82 -10.832 -4.035 -5.382 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.479 -2.570 -3.277 1.00 0.00 C ATOM 0 H ALA A 82 -8.354 -5.012 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.920 -4.416 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.420 -2.097 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.706 -2.300 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.186 -2.228 -4.270 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.696 -5.311 -3.743 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.814 -5.751 -4.556 1.00 0.00 C ATOM 1290 C GLY A 83 -12.406 -6.772 -5.599 1.00 0.00 C ATOM 1291 O GLY A 83 -11.926 -7.856 -5.263 1.00 0.00 O ATOM 0 H GLY A 83 -11.679 -5.690 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.581 -6.181 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.261 -4.889 -5.051 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.596 -6.428 -6.868 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.245 -7.323 -7.964 1.00 0.00 C ATOM 1297 C ASP A 84 -11.043 -6.789 -8.738 1.00 0.00 C ATOM 1298 O ASP A 84 -10.804 -7.182 -9.879 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.436 -7.501 -8.907 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.522 -8.374 -8.310 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.822 -8.210 -7.108 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.072 -9.221 -9.043 1.00 0.00 O ATOM 0 H ASP A 84 -12.991 -5.535 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.980 -8.291 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.852 -6.523 -9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.092 -7.943 -9.842 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.292 -5.891 -8.108 1.00 0.00 N ATOM 1308 CA GLU A 85 -9.117 -5.302 -8.739 1.00 0.00 C ATOM 1309 C GLU A 85 -7.936 -5.276 -7.772 1.00 0.00 C ATOM 1310 O GLU A 85 -8.108 -5.404 -6.560 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.426 -3.883 -9.221 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.520 -3.824 -10.275 1.00 0.00 C ATOM 1313 CD GLU A 85 -10.120 -4.503 -11.570 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -9.174 -4.019 -12.226 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -10.752 -5.519 -11.928 1.00 0.00 O ATOM 0 H GLU A 85 -10.476 -5.556 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.850 -5.919 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.723 -3.274 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.517 -3.440 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.421 -4.297 -9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.769 -2.782 -10.477 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.736 -5.111 -8.318 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.525 -5.067 -7.507 1.00 0.00 C ATOM 1324 C LYS A 86 -4.349 -4.528 -8.314 1.00 0.00 C ATOM 1325 O LYS A 86 -4.297 -4.685 -9.534 1.00 0.00 O ATOM 1326 CB LYS A 86 -5.195 -6.462 -6.972 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.305 -7.273 -7.898 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.942 -8.616 -7.288 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.961 -9.380 -8.164 1.00 0.00 C ATOM 1330 NZ LYS A 86 -2.285 -10.476 -7.416 1.00 0.00 N ATOM 0 H LYS A 86 -6.576 -5.005 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.704 -4.395 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.704 -6.364 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.124 -7.007 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.815 -7.430 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.395 -6.712 -8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.506 -8.462 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.846 -9.210 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.489 -9.798 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.212 -8.692 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.625 -10.972 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.760 -10.076 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.997 -11.147 -7.064 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.406 -3.895 -7.625 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.229 -3.333 -8.279 1.00 0.00 C ATOM 1346 C CYS A 87 -0.954 -3.737 -7.544 1.00 0.00 C ATOM 1347 O CYS A 87 -1.006 -4.237 -6.420 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.334 -1.809 -8.343 1.00 0.00 C ATOM 1349 SG CYS A 87 -1.497 -1.071 -9.765 1.00 0.00 S ATOM 0 H CYS A 87 -3.433 -3.758 -6.615 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.183 -3.729 -9.293 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -3.387 -1.529 -8.369 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.915 -1.388 -7.429 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.731 -0.101 -9.362 1.00 0.00 H new ATOM 1355 N SER A 88 0.188 -3.517 -8.186 1.00 0.00 N ATOM 1356 CA SER A 88 1.476 -3.863 -7.596 1.00 0.00 C ATOM 1357 C SER A 88 2.495 -2.751 -7.827 1.00 0.00 C ATOM 1358 O SER A 88 2.466 -2.068 -8.851 1.00 0.00 O ATOM 1359 CB SER A 88 1.995 -5.176 -8.185 1.00 0.00 C ATOM 1360 OG SER A 88 1.941 -5.156 -9.601 1.00 0.00 O ATOM 0 H SER A 88 0.248 -3.101 -9.115 1.00 0.00 H new ATOM 0 HA SER A 88 1.335 -3.986 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.022 -5.344 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.401 -6.008 -7.807 1.00 0.00 H new ATOM 0 HG SER A 88 2.280 -6.005 -9.953 1.00 0.00 H new ATOM 1366 N THR A 89 3.397 -2.575 -6.866 1.00 0.00 N ATOM 1367 CA THR A 89 4.425 -1.546 -6.962 1.00 0.00 C ATOM 1368 C THR A 89 5.764 -2.058 -6.444 1.00 0.00 C ATOM 1369 O THR A 89 5.816 -3.005 -5.660 1.00 0.00 O ATOM 1370 CB THR A 89 4.031 -0.283 -6.173 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.037 0.724 -6.327 1.00 0.00 O ATOM 1372 CG2 THR A 89 3.846 -0.602 -4.697 1.00 0.00 C ATOM 0 H THR A 89 3.436 -3.132 -6.012 1.00 0.00 H new ATOM 0 HA THR A 89 4.520 -1.291 -8.017 1.00 0.00 H new ATOM 0 HB THR A 89 3.085 0.086 -6.569 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.931 1.402 -5.628 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.568 0.305 -4.161 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.059 -1.347 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.778 -0.993 -4.290 1.00 0.00 H new ATOM 1380 N GLU A 90 6.846 -1.424 -6.886 1.00 0.00 N ATOM 1381 CA GLU A 90 8.186 -1.817 -6.466 1.00 0.00 C ATOM 1382 C GLU A 90 8.833 -0.723 -5.621 1.00 0.00 C ATOM 1383 O GLU A 90 8.727 0.463 -5.933 1.00 0.00 O ATOM 1384 CB GLU A 90 9.059 -2.117 -7.686 1.00 0.00 C ATOM 1385 CG GLU A 90 9.008 -3.570 -8.129 1.00 0.00 C ATOM 1386 CD GLU A 90 10.024 -4.435 -7.409 1.00 0.00 C ATOM 1387 OE1 GLU A 90 11.031 -3.882 -6.918 1.00 0.00 O ATOM 1388 OE2 GLU A 90 9.814 -5.664 -7.338 1.00 0.00 O ATOM 0 H GLU A 90 6.821 -0.637 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 90 8.100 -2.718 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.742 -1.482 -8.514 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.091 -1.852 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.008 -3.966 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.186 -3.625 -9.203 1.00 0.00 H new ATOM 1395 N LEU A 91 9.503 -1.132 -4.549 1.00 0.00 N ATOM 1396 CA LEU A 91 10.168 -0.188 -3.657 1.00 0.00 C ATOM 1397 C LEU A 91 11.678 -0.212 -3.867 1.00 0.00 C ATOM 1398 O LEU A 91 12.307 -1.269 -3.814 1.00 0.00 O ATOM 1399 CB LEU A 91 9.839 -0.516 -2.199 1.00 0.00 C ATOM 1400 CG LEU A 91 10.357 0.474 -1.155 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.876 0.435 -1.091 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.871 1.882 -1.468 1.00 0.00 C ATOM 0 H LEU A 91 9.600 -2.110 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 91 9.803 0.813 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.756 -0.585 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.244 -1.501 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 91 9.965 0.184 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.227 1.146 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.203 -0.569 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.288 0.700 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.249 2.573 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.234 2.182 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.781 1.900 -1.463 1.00 0.00 H new ATOM 1414 N PHE A 92 12.256 0.961 -4.103 1.00 0.00 N ATOM 1415 CA PHE A 92 13.694 1.076 -4.320 1.00 0.00 C ATOM 1416 C PHE A 92 14.339 1.942 -3.242 1.00 0.00 C ATOM 1417 O PHE A 92 14.346 3.169 -3.338 1.00 0.00 O ATOM 1418 CB PHE A 92 13.977 1.667 -5.703 1.00 0.00 C ATOM 1419 CG PHE A 92 13.686 0.719 -6.831 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.465 -0.411 -7.023 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.632 0.957 -7.699 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.199 -1.284 -8.060 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.362 0.087 -8.738 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.146 -1.035 -8.919 1.00 0.00 C ATOM 0 H PHE A 92 11.751 1.846 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 92 14.126 0.077 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.379 2.569 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.023 1.969 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.289 -0.611 -6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.015 1.832 -7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.814 -2.161 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.538 0.285 -9.408 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.937 -1.716 -9.730 1.00 0.00 H new ATOM 1434 N VAL A 93 14.880 1.294 -2.216 1.00 0.00 N ATOM 1435 CA VAL A 93 15.528 2.004 -1.119 1.00 0.00 C ATOM 1436 C VAL A 93 17.043 2.017 -1.293 1.00 0.00 C ATOM 1437 O VAL A 93 17.695 0.975 -1.220 1.00 0.00 O ATOM 1438 CB VAL A 93 15.184 1.369 0.241 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.418 -0.133 0.205 1.00 0.00 C ATOM 1440 CG2 VAL A 93 15.997 2.017 1.352 1.00 0.00 C ATOM 0 H VAL A 93 14.883 0.278 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 93 15.154 3.028 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 93 14.128 1.542 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.169 -0.563 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.788 -0.581 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.465 -0.333 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.741 1.556 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.060 1.877 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.773 3.083 1.392 1.00 0.00 H new ATOM 1450 N ARG A 94 17.596 3.203 -1.522 1.00 0.00 N ATOM 1451 CA ARG A 94 19.035 3.352 -1.707 1.00 0.00 C ATOM 1452 C ARG A 94 19.787 2.999 -0.427 1.00 0.00 C ATOM 1453 O ARG A 94 19.248 3.115 0.673 1.00 0.00 O ATOM 1454 CB ARG A 94 19.370 4.784 -2.130 1.00 0.00 C ATOM 1455 CG ARG A 94 18.607 5.251 -3.358 1.00 0.00 C ATOM 1456 CD ARG A 94 18.871 6.720 -3.652 1.00 0.00 C ATOM 1457 NE ARG A 94 20.171 6.927 -4.284 1.00 0.00 N ATOM 1458 CZ ARG A 94 21.306 7.051 -3.605 1.00 0.00 C ATOM 1459 NH1 ARG A 94 21.300 6.989 -2.280 1.00 0.00 N ATOM 1460 NH2 ARG A 94 22.450 7.237 -4.251 1.00 0.00 N ATOM 0 H ARG A 94 17.070 4.075 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 94 19.349 2.665 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 94 19.155 5.458 -1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.439 4.854 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.897 4.649 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.539 5.095 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.086 7.106 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.825 7.289 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 94 20.210 6.979 -5.302 1.00 0.00 H new ATOM 0 HH11 ARG A 94 20.422 6.846 -1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 94 22.173 7.084 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.458 7.285 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 94 23.321 7.332 -3.729 1.00 0.00 H new ATOM 1474 N SER A 95 21.034 2.566 -0.580 1.00 0.00 N ATOM 1475 CA SER A 95 21.859 2.191 0.562 1.00 0.00 C ATOM 1476 C SER A 95 23.008 3.177 0.750 1.00 0.00 C ATOM 1477 O SER A 95 23.985 3.158 0.003 1.00 0.00 O ATOM 1478 CB SER A 95 22.411 0.776 0.377 1.00 0.00 C ATOM 1479 OG SER A 95 22.663 0.160 1.628 1.00 0.00 O ATOM 0 H SER A 95 21.495 2.466 -1.484 1.00 0.00 H new ATOM 0 HA SER A 95 21.233 2.215 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.700 0.176 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.332 0.815 -0.205 1.00 0.00 H new ATOM 0 HG SER A 95 23.013 -0.744 1.483 1.00 0.00 H new ATOM 1485 N GLY A 96 22.882 4.039 1.754 1.00 0.00 N ATOM 1486 CA GLY A 96 23.916 5.022 2.023 1.00 0.00 C ATOM 1487 C GLY A 96 25.264 4.384 2.296 1.00 0.00 C ATOM 1488 O GLY A 96 25.943 3.904 1.388 1.00 0.00 O ATOM 0 H GLY A 96 22.082 4.074 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 96 24.002 5.697 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 96 23.623 5.627 2.881 1.00 0.00 H new ATOM 1492 N PRO A 97 25.671 4.376 3.574 1.00 0.00 N ATOM 1493 CA PRO A 97 26.950 3.798 3.994 1.00 0.00 C ATOM 1494 C PRO A 97 26.965 2.277 3.878 1.00 0.00 C ATOM 1495 O PRO A 97 26.483 1.573 4.765 1.00 0.00 O ATOM 1496 CB PRO A 97 27.068 4.223 5.460 1.00 0.00 C ATOM 1497 CG PRO A 97 25.662 4.426 5.909 1.00 0.00 C ATOM 1498 CD PRO A 97 24.912 4.932 4.708 1.00 0.00 C ATOM 0 HA PRO A 97 27.776 4.139 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 97 27.567 3.458 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 97 27.652 5.138 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.231 3.494 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.614 5.142 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 97 23.877 4.589 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.887 6.021 4.679 1.00 0.00 H new ATOM 1506 N SER A 98 27.521 1.778 2.779 1.00 0.00 N ATOM 1507 CA SER A 98 27.595 0.340 2.545 1.00 0.00 C ATOM 1508 C SER A 98 28.945 -0.214 2.990 1.00 0.00 C ATOM 1509 O SER A 98 29.012 -1.192 3.733 1.00 0.00 O ATOM 1510 CB SER A 98 27.367 0.030 1.064 1.00 0.00 C ATOM 1511 OG SER A 98 26.937 -1.308 0.883 1.00 0.00 O ATOM 0 H SER A 98 27.927 2.348 2.037 1.00 0.00 H new ATOM 0 HA SER A 98 26.813 -0.139 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 98 26.621 0.713 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.290 0.197 0.508 1.00 0.00 H new ATOM 0 HG SER A 98 26.797 -1.480 -0.071 1.00 0.00 H new ATOM 1517 N SER A 99 30.018 0.421 2.530 1.00 0.00 N ATOM 1518 CA SER A 99 31.368 -0.010 2.876 1.00 0.00 C ATOM 1519 C SER A 99 31.615 0.132 4.375 1.00 0.00 C ATOM 1520 O SER A 99 31.560 1.232 4.923 1.00 0.00 O ATOM 1521 CB SER A 99 32.402 0.806 2.098 1.00 0.00 C ATOM 1522 OG SER A 99 33.655 0.144 2.066 1.00 0.00 O ATOM 0 H SER A 99 29.979 1.235 1.917 1.00 0.00 H new ATOM 0 HA SER A 99 31.468 -1.061 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 99 32.048 0.971 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 99 32.517 1.787 2.559 1.00 0.00 H new ATOM 0 HG SER A 99 34.298 0.685 1.562 1.00 0.00 H new ATOM 1528 N GLY A 100 31.888 -0.991 5.033 1.00 0.00 N ATOM 1529 CA GLY A 100 32.140 -0.971 6.462 1.00 0.00 C ATOM 1530 C GLY A 100 33.602 -0.745 6.790 1.00 0.00 C ATOM 1531 O GLY A 100 34.460 -1.544 6.416 1.00 0.00 O ATOM 0 H GLY A 100 31.939 -1.914 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 100 31.542 -0.185 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 100 31.815 -1.915 6.898 1.00 0.00 H new TER 1535 GLY A 100