USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 808 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 72 TYR OH : rot 166:sc= 0.94 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -118:sc= 1.19 (180deg=-0.0161) USER MOD Set 2.1: A 20 HIS : no HE2:sc= 1.03 K(o=0.26,f=-8!) USER MOD Set 2.2: A 31 ASN : amide:sc= -0.183 K(o=0.26,f=-12!) USER MOD Set 2.3: A 34 ASN : amide:sc= -0.583 K(o=0.26,f=-3) USER MOD Single : A 13 SER OG : rot -80:sc= -0.99 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0331 (180deg=-0.309) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 12:sc= 0.842 USER MOD Single : A 28 GLN : amide:sc= -0.649 K(o=-0.65,f=0) USER MOD Single : A 30 MET CE :methyl -114:sc= -1.89 (180deg=-2.33!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.0142 (180deg=-0.091) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.576 (180deg=-0.726) USER MOD Single : A 39 CYS SG : rot -19:sc= -0.474 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0468 (180deg=-0.302) USER MOD Single : A 42 CYS SG : rot 82:sc= -7.24! USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0555 (180deg=-0.353) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -73:sc= 0.433 USER MOD Single : A 51 THR OG1 : rot -30:sc= 1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -82:sc= 0.745 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.03) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc=-0.00823 (180deg=-0.148) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.75 K(o=-1.7,f=-0.89) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.25 (180deg=-0.866!) USER MOD Single : A 84 THR OG1 : rot -6:sc= 0.847 USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= 1.93 (180deg=0.881) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -0.0179 (180deg=-0.268) USER MOD Single : A 90 LYS NZ :NH3+ 144:sc= 2.19 (180deg=0.127) USER MOD Single : A 91 SER OG : rot 180:sc= -0.104 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 81:sc= -2.95! USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= 2.68 (180deg=-0.351!) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.103 0.029 2.396 1.00 0.00 N ATOM 78 CA ILE A 7 13.672 -1.157 3.048 1.00 0.00 C ATOM 79 C ILE A 7 14.056 -2.238 2.033 1.00 0.00 C ATOM 80 O ILE A 7 14.603 -3.277 2.410 1.00 0.00 O ATOM 81 CB ILE A 7 12.686 -1.777 4.071 1.00 0.00 C ATOM 82 CG1 ILE A 7 11.380 -2.213 3.378 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.398 -0.795 5.201 1.00 0.00 C ATOM 84 CD1 ILE A 7 10.388 -2.891 4.303 1.00 0.00 C ATOM 0 HA ILE A 7 14.567 -0.812 3.565 1.00 0.00 H new ATOM 0 HB ILE A 7 13.152 -2.664 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.907 -1.337 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.623 -2.893 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.704 -1.248 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.328 -0.546 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.956 0.113 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.496 -3.167 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.841 -3.787 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.113 -2.207 5.106 1.00 0.00 H new ATOM 96 N ALA A 8 13.742 -1.992 0.756 1.00 0.00 N ATOM 97 CA ALA A 8 13.971 -2.958 -0.331 1.00 0.00 C ATOM 98 C ALA A 8 12.943 -4.102 -0.292 1.00 0.00 C ATOM 99 O ALA A 8 12.330 -4.444 -1.308 1.00 0.00 O ATOM 100 CB ALA A 8 15.398 -3.497 -0.293 1.00 0.00 C ATOM 0 H ALA A 8 13.321 -1.117 0.444 1.00 0.00 H new ATOM 0 HA ALA A 8 13.838 -2.430 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.540 -4.208 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.102 -2.672 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.573 -3.996 0.660 1.00 0.00 H new ATOM 106 N GLY A 9 12.751 -4.688 0.892 1.00 0.00 N ATOM 107 CA GLY A 9 11.727 -5.711 1.078 1.00 0.00 C ATOM 108 C GLY A 9 10.324 -5.229 0.709 1.00 0.00 C ATOM 109 O GLY A 9 9.440 -6.035 0.409 1.00 0.00 O ATOM 0 H GLY A 9 13.290 -4.471 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.977 -6.581 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.731 -6.036 2.118 1.00 0.00 H new ATOM 113 N LEU A 10 10.114 -3.912 0.734 1.00 0.00 N ATOM 114 CA LEU A 10 8.831 -3.328 0.327 1.00 0.00 C ATOM 115 C LEU A 10 8.682 -3.363 -1.199 1.00 0.00 C ATOM 116 O LEU A 10 7.617 -3.694 -1.716 1.00 0.00 O ATOM 117 CB LEU A 10 8.700 -1.885 0.836 1.00 0.00 C ATOM 118 CG LEU A 10 7.354 -1.203 0.528 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.201 -1.939 1.211 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.385 0.264 0.946 1.00 0.00 C ATOM 0 H LEU A 10 10.812 -3.230 1.030 1.00 0.00 H new ATOM 0 HA LEU A 10 8.035 -3.925 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.853 -1.882 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.500 -1.288 0.399 1.00 0.00 H new ATOM 0 HG LEU A 10 7.190 -1.247 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.261 -1.438 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.163 -2.968 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.356 -1.937 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.425 0.727 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.578 0.333 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.175 0.781 0.401 1.00 0.00 H new ATOM 132 N GLU A 11 9.757 -3.020 -1.914 1.00 0.00 N ATOM 133 CA GLU A 11 9.775 -3.105 -3.382 1.00 0.00 C ATOM 134 C GLU A 11 9.507 -4.553 -3.836 1.00 0.00 C ATOM 135 O GLU A 11 8.749 -4.800 -4.780 1.00 0.00 O ATOM 136 CB GLU A 11 11.130 -2.615 -3.929 1.00 0.00 C ATOM 137 CG GLU A 11 11.513 -1.203 -3.475 1.00 0.00 C ATOM 138 CD GLU A 11 12.818 -0.700 -4.092 1.00 0.00 C ATOM 139 OE1 GLU A 11 13.899 -0.955 -3.519 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.766 -0.037 -5.154 1.00 0.00 O ATOM 0 H GLU A 11 10.627 -2.681 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 11 8.987 -2.464 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.909 -3.310 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.100 -2.640 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.708 -0.515 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.605 -1.191 -2.389 1.00 0.00 H new ATOM 147 N GLU A 12 10.132 -5.503 -3.139 1.00 0.00 N ATOM 148 CA GLU A 12 9.897 -6.934 -3.369 1.00 0.00 C ATOM 149 C GLU A 12 8.428 -7.306 -3.098 1.00 0.00 C ATOM 150 O GLU A 12 7.741 -7.867 -3.958 1.00 0.00 O ATOM 151 CB GLU A 12 10.814 -7.764 -2.460 1.00 0.00 C ATOM 152 CG GLU A 12 10.651 -9.273 -2.621 1.00 0.00 C ATOM 153 CD GLU A 12 11.485 -10.060 -1.621 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.726 -10.068 -1.753 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.906 -10.669 -0.694 1.00 0.00 O ATOM 0 H GLU A 12 10.811 -5.307 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 12 10.119 -7.151 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.850 -7.497 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.617 -7.497 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.600 -9.537 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.937 -9.560 -3.633 1.00 0.00 H new ATOM 162 N SER A 13 7.955 -6.986 -1.891 1.00 0.00 N ATOM 163 CA SER A 13 6.571 -7.280 -1.488 1.00 0.00 C ATOM 164 C SER A 13 5.560 -6.616 -2.430 1.00 0.00 C ATOM 165 O SER A 13 4.494 -7.173 -2.708 1.00 0.00 O ATOM 166 CB SER A 13 6.319 -6.802 -0.053 1.00 0.00 C ATOM 167 OG SER A 13 5.056 -7.244 0.429 1.00 0.00 O ATOM 0 H SER A 13 8.509 -6.522 -1.171 1.00 0.00 H new ATOM 0 HA SER A 13 6.437 -8.360 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.109 -7.174 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.362 -5.713 -0.018 1.00 0.00 H new ATOM 0 HG SER A 13 4.350 -6.660 0.081 1.00 0.00 H new ATOM 173 N PHE A 14 5.904 -5.425 -2.916 1.00 0.00 N ATOM 174 CA PHE A 14 5.057 -4.700 -3.862 1.00 0.00 C ATOM 175 C PHE A 14 4.835 -5.521 -5.135 1.00 0.00 C ATOM 176 O PHE A 14 3.713 -5.632 -5.613 1.00 0.00 O ATOM 177 CB PHE A 14 5.676 -3.339 -4.219 1.00 0.00 C ATOM 178 CG PHE A 14 4.843 -2.535 -5.191 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.796 -1.743 -4.738 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.098 -2.579 -6.555 1.00 0.00 C ATOM 181 CE1 PHE A 14 3.027 -1.014 -5.625 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.330 -1.853 -7.442 1.00 0.00 C ATOM 183 CZ PHE A 14 3.293 -1.070 -6.977 1.00 0.00 C ATOM 0 H PHE A 14 6.767 -4.940 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 14 4.093 -4.531 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.814 -2.760 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.666 -3.500 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.580 -1.696 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.908 -3.189 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.217 -0.400 -5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.540 -1.897 -8.500 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.691 -0.502 -7.671 1.00 0.00 H new ATOM 193 N ARG A 15 5.912 -6.087 -5.678 1.00 0.00 N ATOM 194 CA ARG A 15 5.817 -6.954 -6.860 1.00 0.00 C ATOM 195 C ARG A 15 4.936 -8.181 -6.590 1.00 0.00 C ATOM 196 O ARG A 15 4.079 -8.524 -7.403 1.00 0.00 O ATOM 197 CB ARG A 15 7.210 -7.406 -7.315 1.00 0.00 C ATOM 198 CG ARG A 15 8.017 -6.311 -7.999 1.00 0.00 C ATOM 199 CD ARG A 15 9.454 -6.747 -8.261 1.00 0.00 C ATOM 200 NE ARG A 15 10.219 -5.715 -8.955 1.00 0.00 N ATOM 201 CZ ARG A 15 11.522 -5.683 -9.017 1.00 0.00 C ATOM 202 NH1 ARG A 15 12.236 -6.590 -8.424 1.00 0.00 N ATOM 203 NH2 ARG A 15 12.106 -4.733 -9.671 1.00 0.00 N ATOM 0 H ARG A 15 6.860 -5.963 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 15 5.354 -6.369 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.765 -7.767 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.103 -8.248 -7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.541 -6.044 -8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.016 -5.416 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.940 -6.984 -7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.453 -7.660 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 15 9.701 -4.971 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.779 -7.338 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.254 -6.555 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.549 -4.015 -10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.124 -4.701 -9.724 1.00 0.00 H new ATOM 217 N LYS A 16 5.147 -8.826 -5.443 1.00 0.00 N ATOM 218 CA LYS A 16 4.370 -10.014 -5.060 1.00 0.00 C ATOM 219 C LYS A 16 2.857 -9.738 -5.083 1.00 0.00 C ATOM 220 O LYS A 16 2.063 -10.598 -5.467 1.00 0.00 O ATOM 221 CB LYS A 16 4.799 -10.497 -3.670 1.00 0.00 C ATOM 222 CG LYS A 16 6.256 -10.947 -3.608 1.00 0.00 C ATOM 223 CD LYS A 16 6.657 -11.390 -2.203 1.00 0.00 C ATOM 224 CE LYS A 16 8.082 -11.932 -2.166 1.00 0.00 C ATOM 225 NZ LYS A 16 8.250 -13.128 -3.035 1.00 0.00 N ATOM 0 H LYS A 16 5.850 -8.548 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 16 4.574 -10.795 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.644 -9.693 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.158 -11.325 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.412 -11.770 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.902 -10.130 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.571 -10.547 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.967 -12.158 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.774 -11.153 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.344 -12.190 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.139 -13.611 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.452 -13.778 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.277 -12.832 -4.032 1.00 0.00 H new ATOM 239 N PHE A 17 2.464 -8.537 -4.664 1.00 0.00 N ATOM 240 CA PHE A 17 1.062 -8.113 -4.749 1.00 0.00 C ATOM 241 C PHE A 17 0.718 -7.568 -6.149 1.00 0.00 C ATOM 242 O PHE A 17 -0.371 -7.800 -6.656 1.00 0.00 O ATOM 243 CB PHE A 17 0.742 -7.056 -3.678 1.00 0.00 C ATOM 244 CG PHE A 17 0.378 -7.633 -2.332 1.00 0.00 C ATOM 245 CD1 PHE A 17 -0.896 -8.140 -2.108 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.296 -7.660 -1.291 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.247 -8.660 -0.878 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.951 -8.183 -0.058 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.324 -8.682 0.148 1.00 0.00 C ATOM 0 H PHE A 17 3.092 -7.840 -4.263 1.00 0.00 H new ATOM 0 HA PHE A 17 0.447 -8.995 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.606 -6.402 -3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.082 -6.435 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.622 -8.127 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.291 -7.268 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.242 -9.049 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.675 -8.202 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.596 -9.088 1.111 1.00 0.00 H new ATOM 259 N ALA A 18 1.663 -6.868 -6.771 1.00 0.00 N ATOM 260 CA ALA A 18 1.434 -6.219 -8.072 1.00 0.00 C ATOM 261 C ALA A 18 1.102 -7.232 -9.178 1.00 0.00 C ATOM 262 O ALA A 18 0.106 -7.093 -9.890 1.00 0.00 O ATOM 263 CB ALA A 18 2.654 -5.395 -8.469 1.00 0.00 C ATOM 0 H ALA A 18 2.602 -6.732 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 18 0.570 -5.565 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.474 -4.919 -9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.837 -4.629 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.525 -6.047 -8.543 1.00 0.00 H new ATOM 269 N ILE A 19 1.943 -8.253 -9.311 1.00 0.00 N ATOM 270 CA ILE A 19 1.769 -9.271 -10.353 1.00 0.00 C ATOM 271 C ILE A 19 0.753 -10.351 -9.928 1.00 0.00 C ATOM 272 O ILE A 19 0.527 -11.330 -10.645 1.00 0.00 O ATOM 273 CB ILE A 19 3.127 -9.923 -10.723 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.682 -10.752 -9.547 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.132 -8.838 -11.137 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.984 -11.465 -9.861 1.00 0.00 C ATOM 0 H ILE A 19 2.755 -8.401 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 19 1.373 -8.767 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 19 2.968 -10.599 -11.563 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.836 -10.094 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.937 -11.490 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.083 -9.303 -11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.747 -8.296 -12.000 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.280 -8.144 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.311 -12.027 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.832 -12.149 -10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.745 -10.732 -10.127 1.00 0.00 H new ATOM 288 N HIS A 20 0.135 -10.156 -8.762 1.00 0.00 N ATOM 289 CA HIS A 20 -0.895 -11.069 -8.251 1.00 0.00 C ATOM 290 C HIS A 20 -2.137 -11.057 -9.157 1.00 0.00 C ATOM 291 O HIS A 20 -2.898 -10.090 -9.168 1.00 0.00 O ATOM 292 CB HIS A 20 -1.271 -10.672 -6.816 1.00 0.00 C ATOM 293 CG HIS A 20 -2.380 -11.486 -6.214 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.631 -10.971 -5.957 1.00 0.00 N ATOM 295 CD2 HIS A 20 -2.416 -12.774 -5.794 1.00 0.00 C ATOM 296 CE1 HIS A 20 -4.385 -11.899 -5.404 1.00 0.00 C ATOM 297 NE2 HIS A 20 -3.675 -13.003 -5.296 1.00 0.00 N ATOM 0 H HIS A 20 0.331 -9.366 -8.147 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.494 -12.083 -8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.387 -10.762 -6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.563 -9.622 -6.808 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.928 -10.017 -6.163 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.606 -13.487 -5.842 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.412 -11.775 -5.092 1.00 0.00 H new ATOM 306 N GLY A 21 -2.328 -12.131 -9.915 1.00 0.00 N ATOM 307 CA GLY A 21 -3.442 -12.206 -10.859 1.00 0.00 C ATOM 308 C GLY A 21 -2.986 -12.283 -12.316 1.00 0.00 C ATOM 309 O GLY A 21 -3.778 -12.600 -13.206 1.00 0.00 O ATOM 0 H GLY A 21 -1.731 -12.958 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.049 -13.081 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.080 -11.332 -10.729 1.00 0.00 H new ATOM 313 N ASP A 22 -1.714 -11.974 -12.565 1.00 0.00 N ATOM 314 CA ASP A 22 -1.138 -12.086 -13.911 1.00 0.00 C ATOM 315 C ASP A 22 0.388 -12.292 -13.832 1.00 0.00 C ATOM 316 O ASP A 22 1.112 -11.426 -13.342 1.00 0.00 O ATOM 317 CB ASP A 22 -1.462 -10.838 -14.744 1.00 0.00 C ATOM 318 CG ASP A 22 -1.237 -11.074 -16.228 1.00 0.00 C ATOM 319 OD1 ASP A 22 -0.088 -10.929 -16.698 1.00 0.00 O ATOM 320 OD2 ASP A 22 -2.212 -11.422 -16.930 1.00 0.00 O ATOM 0 H ASP A 22 -1.060 -11.644 -11.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.582 -12.954 -14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.499 -10.548 -14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.841 -10.007 -14.410 1.00 0.00 H new ATOM 325 N PRO A 23 0.901 -13.436 -14.334 1.00 0.00 N ATOM 326 CA PRO A 23 2.328 -13.788 -14.204 1.00 0.00 C ATOM 327 C PRO A 23 3.275 -12.854 -14.975 1.00 0.00 C ATOM 328 O PRO A 23 4.486 -12.861 -14.743 1.00 0.00 O ATOM 329 CB PRO A 23 2.394 -15.219 -14.763 1.00 0.00 C ATOM 330 CG PRO A 23 1.219 -15.325 -15.678 1.00 0.00 C ATOM 331 CD PRO A 23 0.140 -14.475 -15.058 1.00 0.00 C ATOM 0 HA PRO A 23 2.662 -13.696 -13.171 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.328 -15.392 -15.297 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.341 -15.959 -13.964 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.469 -14.972 -16.678 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.893 -16.360 -15.778 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.515 -14.041 -15.814 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.491 -15.054 -14.384 1.00 0.00 H new ATOM 339 N LYS A 24 2.726 -12.055 -15.882 1.00 0.00 N ATOM 340 CA LYS A 24 3.524 -11.105 -16.661 1.00 0.00 C ATOM 341 C LYS A 24 3.411 -9.688 -16.080 1.00 0.00 C ATOM 342 O LYS A 24 4.420 -9.047 -15.783 1.00 0.00 O ATOM 343 CB LYS A 24 3.054 -11.113 -18.119 1.00 0.00 C ATOM 344 CG LYS A 24 3.205 -12.467 -18.806 1.00 0.00 C ATOM 345 CD LYS A 24 2.505 -12.491 -20.160 1.00 0.00 C ATOM 346 CE LYS A 24 0.997 -12.300 -20.019 1.00 0.00 C ATOM 347 NZ LYS A 24 0.312 -12.256 -21.338 1.00 0.00 N ATOM 0 H LYS A 24 1.730 -12.043 -16.099 1.00 0.00 H new ATOM 0 HA LYS A 24 4.570 -11.409 -16.614 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.007 -10.812 -18.155 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.620 -10.367 -18.678 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.263 -12.692 -18.939 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.791 -13.248 -18.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.914 -11.705 -20.795 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.707 -13.440 -20.657 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.583 -13.114 -19.423 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.798 -11.375 -19.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.710 -12.125 -21.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.687 -11.464 -21.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.479 -13.148 -21.846 1.00 0.00 H new ATOM 361 N ALA A 25 2.165 -9.232 -15.908 1.00 0.00 N ATOM 362 CA ALA A 25 1.853 -7.865 -15.445 1.00 0.00 C ATOM 363 C ALA A 25 2.876 -6.813 -15.940 1.00 0.00 C ATOM 364 O ALA A 25 2.993 -6.571 -17.142 1.00 0.00 O ATOM 365 CB ALA A 25 1.713 -7.846 -13.925 1.00 0.00 C ATOM 0 H ALA A 25 1.337 -9.800 -16.086 1.00 0.00 H new ATOM 0 HA ALA A 25 0.899 -7.579 -15.888 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.483 -6.833 -13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.908 -8.518 -13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.648 -8.173 -13.469 1.00 0.00 H new ATOM 371 N SER A 26 3.618 -6.198 -15.011 1.00 0.00 N ATOM 372 CA SER A 26 4.682 -5.232 -15.349 1.00 0.00 C ATOM 373 C SER A 26 5.693 -5.113 -14.197 1.00 0.00 C ATOM 374 O SER A 26 6.893 -5.311 -14.390 1.00 0.00 O ATOM 375 CB SER A 26 4.101 -3.844 -15.677 1.00 0.00 C ATOM 376 OG SER A 26 3.350 -3.847 -16.883 1.00 0.00 O ATOM 0 H SER A 26 3.503 -6.351 -14.009 1.00 0.00 H new ATOM 0 HA SER A 26 5.192 -5.608 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.464 -3.515 -14.856 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.914 -3.122 -15.759 1.00 0.00 H new ATOM 0 HG SER A 26 3.187 -4.771 -17.164 1.00 0.00 H new ATOM 382 N GLY A 27 5.205 -4.773 -12.999 1.00 0.00 N ATOM 383 CA GLY A 27 6.066 -4.782 -11.811 1.00 0.00 C ATOM 384 C GLY A 27 6.173 -3.437 -11.089 1.00 0.00 C ATOM 385 O GLY A 27 6.984 -3.290 -10.175 1.00 0.00 O ATOM 0 H GLY A 27 4.239 -4.494 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.687 -5.526 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.066 -5.101 -12.106 1.00 0.00 H new ATOM 389 N GLN A 28 5.373 -2.453 -11.498 1.00 0.00 N ATOM 390 CA GLN A 28 5.368 -1.128 -10.843 1.00 0.00 C ATOM 391 C GLN A 28 3.936 -0.606 -10.636 1.00 0.00 C ATOM 392 O GLN A 28 3.734 0.534 -10.215 1.00 0.00 O ATOM 393 CB GLN A 28 6.174 -0.116 -11.677 1.00 0.00 C ATOM 394 CG GLN A 28 7.646 -0.483 -11.847 1.00 0.00 C ATOM 395 CD GLN A 28 8.417 0.500 -12.718 1.00 0.00 C ATOM 396 OE1 GLN A 28 9.351 0.121 -13.420 1.00 0.00 O ATOM 397 NE2 GLN A 28 8.057 1.769 -12.667 1.00 0.00 N ATOM 0 H GLN A 28 4.719 -2.539 -12.276 1.00 0.00 H new ATOM 0 HA GLN A 28 5.833 -1.244 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.716 -0.027 -12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.107 0.864 -11.204 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.116 -0.533 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.716 -1.478 -12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.277 2.054 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.559 2.464 -13.220 1.00 0.00 H new ATOM 406 N GLU A 29 2.949 -1.456 -10.921 1.00 0.00 N ATOM 407 CA GLU A 29 1.530 -1.077 -10.871 1.00 0.00 C ATOM 408 C GLU A 29 0.740 -1.974 -9.904 1.00 0.00 C ATOM 409 O GLU A 29 1.047 -3.153 -9.749 1.00 0.00 O ATOM 410 CB GLU A 29 0.901 -1.178 -12.274 1.00 0.00 C ATOM 411 CG GLU A 29 1.507 -0.240 -13.323 1.00 0.00 C ATOM 412 CD GLU A 29 2.938 -0.591 -13.726 1.00 0.00 C ATOM 413 OE1 GLU A 29 3.347 -1.765 -13.578 1.00 0.00 O ATOM 414 OE2 GLU A 29 3.656 0.311 -14.213 1.00 0.00 O ATOM 0 H GLU A 29 3.107 -2.426 -11.193 1.00 0.00 H new ATOM 0 HA GLU A 29 1.481 -0.049 -10.513 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.999 -2.205 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.166 -0.969 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.877 -0.253 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.490 0.779 -12.936 1.00 0.00 H new ATOM 421 N MET A 30 -0.289 -1.410 -9.274 1.00 0.00 N ATOM 422 CA MET A 30 -1.147 -2.162 -8.348 1.00 0.00 C ATOM 423 C MET A 30 -2.630 -1.810 -8.562 1.00 0.00 C ATOM 424 O MET A 30 -2.993 -0.635 -8.627 1.00 0.00 O ATOM 425 CB MET A 30 -0.762 -1.860 -6.893 1.00 0.00 C ATOM 426 CG MET A 30 -1.451 -2.765 -5.875 1.00 0.00 C ATOM 427 SD MET A 30 -0.691 -4.395 -5.781 1.00 0.00 S ATOM 428 CE MET A 30 0.954 -3.954 -5.223 1.00 0.00 C ATOM 0 H MET A 30 -0.553 -0.431 -9.386 1.00 0.00 H new ATOM 0 HA MET A 30 -1.001 -3.223 -8.550 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.318 -1.961 -6.784 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.009 -0.822 -6.669 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.417 -2.294 -4.893 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.503 -2.872 -6.141 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.678 -4.188 -6.003 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.990 -2.887 -5.003 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.196 -4.518 -4.322 1.00 0.00 H new ATOM 438 N ASN A 31 -3.482 -2.828 -8.666 1.00 0.00 N ATOM 439 CA ASN A 31 -4.928 -2.614 -8.835 1.00 0.00 C ATOM 440 C ASN A 31 -5.660 -2.590 -7.479 1.00 0.00 C ATOM 441 O ASN A 31 -5.122 -3.039 -6.463 1.00 0.00 O ATOM 442 CB ASN A 31 -5.526 -3.701 -9.748 1.00 0.00 C ATOM 443 CG ASN A 31 -5.168 -5.107 -9.308 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.037 -5.387 -8.128 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.004 -6.005 -10.255 1.00 0.00 N ATOM 0 H ASN A 31 -3.203 -3.809 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.067 -1.640 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.611 -3.597 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.175 -3.545 -10.768 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.761 -6.965 -10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.120 -5.741 -11.233 1.00 0.00 H new ATOM 452 N GLY A 32 -6.891 -2.069 -7.473 1.00 0.00 N ATOM 453 CA GLY A 32 -7.691 -2.029 -6.247 1.00 0.00 C ATOM 454 C GLY A 32 -7.874 -3.402 -5.606 1.00 0.00 C ATOM 455 O GLY A 32 -8.029 -3.519 -4.388 1.00 0.00 O ATOM 0 H GLY A 32 -7.350 -1.674 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.213 -1.361 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.670 -1.607 -6.473 1.00 0.00 H new ATOM 459 N LYS A 33 -7.859 -4.442 -6.438 1.00 0.00 N ATOM 460 CA LYS A 33 -7.956 -5.827 -5.969 1.00 0.00 C ATOM 461 C LYS A 33 -6.832 -6.177 -4.977 1.00 0.00 C ATOM 462 O LYS A 33 -7.088 -6.508 -3.813 1.00 0.00 O ATOM 463 CB LYS A 33 -7.918 -6.783 -7.167 1.00 0.00 C ATOM 464 CG LYS A 33 -9.141 -6.676 -8.076 1.00 0.00 C ATOM 465 CD LYS A 33 -9.073 -7.643 -9.254 1.00 0.00 C ATOM 466 CE LYS A 33 -8.958 -9.096 -8.799 1.00 0.00 C ATOM 467 NZ LYS A 33 -10.091 -9.503 -7.921 1.00 0.00 N ATOM 0 H LYS A 33 -7.780 -4.352 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.904 -5.936 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.022 -6.581 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.836 -7.807 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.041 -6.877 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.224 -5.656 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.964 -7.526 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.217 -7.391 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.926 -9.747 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.018 -9.234 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.045 -10.527 -7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.028 -8.995 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.992 -9.271 -8.386 1.00 0.00 H new ATOM 481 N ASN A 34 -5.588 -6.093 -5.440 1.00 0.00 N ATOM 482 CA ASN A 34 -4.423 -6.418 -4.607 1.00 0.00 C ATOM 483 C ASN A 34 -4.230 -5.386 -3.490 1.00 0.00 C ATOM 484 O ASN A 34 -3.786 -5.727 -2.402 1.00 0.00 O ATOM 485 CB ASN A 34 -3.157 -6.483 -5.462 1.00 0.00 C ATOM 486 CG ASN A 34 -3.340 -7.338 -6.697 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.122 -8.284 -6.710 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.610 -7.018 -7.739 1.00 0.00 N ATOM 0 H ASN A 34 -5.355 -5.802 -6.390 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.606 -7.392 -4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.871 -5.474 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.338 -6.883 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.681 -7.563 -8.598 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.971 -6.224 -7.690 1.00 0.00 H new ATOM 495 N TRP A 35 -4.553 -4.127 -3.784 1.00 0.00 N ATOM 496 CA TRP A 35 -4.459 -3.036 -2.801 1.00 0.00 C ATOM 497 C TRP A 35 -5.359 -3.295 -1.577 1.00 0.00 C ATOM 498 O TRP A 35 -4.917 -3.186 -0.428 1.00 0.00 O ATOM 499 CB TRP A 35 -4.825 -1.701 -3.475 1.00 0.00 C ATOM 500 CG TRP A 35 -5.032 -0.560 -2.522 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.218 0.044 -2.226 1.00 0.00 C ATOM 502 CD2 TRP A 35 -4.035 0.106 -1.739 1.00 0.00 C ATOM 503 NE1 TRP A 35 -6.021 1.055 -1.321 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.689 1.113 -1.004 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.651 -0.041 -1.595 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -4.013 1.957 -0.132 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.982 0.799 -0.726 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.662 1.789 -0.008 1.00 0.00 C ATOM 0 H TRP A 35 -4.885 -3.831 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.432 -2.987 -2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.034 -1.434 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.735 -1.840 -4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.174 -0.234 -2.644 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.747 1.664 -0.945 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.116 -0.796 -2.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.536 2.718 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.915 0.690 -0.599 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.108 2.434 0.658 1.00 0.00 H new ATOM 519 N ALA A 36 -6.623 -3.637 -1.826 1.00 0.00 N ATOM 520 CA ALA A 36 -7.556 -3.970 -0.745 1.00 0.00 C ATOM 521 C ALA A 36 -7.055 -5.170 0.072 1.00 0.00 C ATOM 522 O ALA A 36 -7.099 -5.163 1.301 1.00 0.00 O ATOM 523 CB ALA A 36 -8.943 -4.252 -1.311 1.00 0.00 C ATOM 0 H ALA A 36 -7.025 -3.691 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.617 -3.112 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.625 -4.498 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.308 -3.369 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.889 -5.091 -2.005 1.00 0.00 H new ATOM 529 N LYS A 37 -6.567 -6.195 -0.622 1.00 0.00 N ATOM 530 CA LYS A 37 -6.010 -7.377 0.039 1.00 0.00 C ATOM 531 C LYS A 37 -4.725 -7.027 0.800 1.00 0.00 C ATOM 532 O LYS A 37 -4.493 -7.523 1.892 1.00 0.00 O ATOM 533 CB LYS A 37 -5.718 -8.476 -0.994 1.00 0.00 C ATOM 534 CG LYS A 37 -5.325 -9.824 -0.388 1.00 0.00 C ATOM 535 CD LYS A 37 -6.496 -10.492 0.328 1.00 0.00 C ATOM 536 CE LYS A 37 -6.115 -11.859 0.890 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.175 -11.757 2.044 1.00 0.00 N ATOM 0 H LYS A 37 -6.545 -6.233 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.748 -7.742 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.601 -8.615 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.915 -8.138 -1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.958 -10.482 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.505 -9.680 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.840 -9.849 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.329 -10.604 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.017 -12.384 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.656 -12.458 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.305 -12.577 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.196 -11.740 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.368 -10.883 2.573 1.00 0.00 H new ATOM 551 N LEU A 38 -3.907 -6.159 0.214 1.00 0.00 N ATOM 552 CA LEU A 38 -2.624 -5.755 0.803 1.00 0.00 C ATOM 553 C LEU A 38 -2.833 -5.184 2.213 1.00 0.00 C ATOM 554 O LEU A 38 -2.243 -5.656 3.190 1.00 0.00 O ATOM 555 CB LEU A 38 -1.945 -4.718 -0.121 1.00 0.00 C ATOM 556 CG LEU A 38 -0.441 -4.453 0.111 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.162 -3.719 -1.084 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.199 -3.652 1.392 1.00 0.00 C ATOM 0 H LEU A 38 -4.109 -5.713 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.976 -6.627 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.076 -5.045 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.476 -3.772 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 38 0.048 -5.421 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.222 -3.540 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.044 -4.326 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.349 -2.766 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.871 -3.486 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.710 -2.692 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.585 -4.207 2.247 1.00 0.00 H new ATOM 570 N CYS A 39 -3.694 -4.178 2.313 1.00 0.00 N ATOM 571 CA CYS A 39 -3.983 -3.537 3.596 1.00 0.00 C ATOM 572 C CYS A 39 -4.710 -4.490 4.559 1.00 0.00 C ATOM 573 O CYS A 39 -4.404 -4.527 5.752 1.00 0.00 O ATOM 574 CB CYS A 39 -4.823 -2.274 3.385 1.00 0.00 C ATOM 575 SG CYS A 39 -6.404 -2.579 2.569 1.00 0.00 S ATOM 0 H CYS A 39 -4.206 -3.786 1.522 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.028 -3.267 4.046 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.008 -1.806 4.352 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.249 -1.562 2.791 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.364 -3.728 1.962 1.00 0.00 H new ATOM 581 N LYS A 40 -5.662 -5.271 4.042 1.00 0.00 N ATOM 582 CA LYS A 40 -6.456 -6.175 4.887 1.00 0.00 C ATOM 583 C LYS A 40 -5.655 -7.433 5.288 1.00 0.00 C ATOM 584 O LYS A 40 -5.984 -8.111 6.263 1.00 0.00 O ATOM 585 CB LYS A 40 -7.748 -6.569 4.162 1.00 0.00 C ATOM 586 CG LYS A 40 -8.755 -7.292 5.051 1.00 0.00 C ATOM 587 CD LYS A 40 -10.077 -7.540 4.332 1.00 0.00 C ATOM 588 CE LYS A 40 -11.100 -8.196 5.250 1.00 0.00 C ATOM 589 NZ LYS A 40 -11.414 -7.349 6.433 1.00 0.00 N ATOM 0 H LYS A 40 -5.903 -5.298 3.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.707 -5.643 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.214 -5.671 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.498 -7.209 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.335 -8.244 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.936 -6.701 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.473 -6.595 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.906 -8.176 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.015 -8.392 4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.719 -9.161 5.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.289 -7.688 6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.632 -7.404 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.540 -6.362 6.130 1.00 0.00 H new ATOM 603 N ASP A 41 -4.607 -7.738 4.524 1.00 0.00 N ATOM 604 CA ASP A 41 -3.727 -8.878 4.815 1.00 0.00 C ATOM 605 C ASP A 41 -2.718 -8.511 5.909 1.00 0.00 C ATOM 606 O ASP A 41 -2.438 -9.300 6.813 1.00 0.00 O ATOM 607 CB ASP A 41 -2.981 -9.301 3.539 1.00 0.00 C ATOM 608 CG ASP A 41 -2.261 -10.630 3.679 1.00 0.00 C ATOM 609 OD1 ASP A 41 -1.091 -10.636 4.112 1.00 0.00 O ATOM 610 OD2 ASP A 41 -2.871 -11.668 3.345 1.00 0.00 O ATOM 0 H ASP A 41 -4.342 -7.210 3.693 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.338 -9.709 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.692 -9.365 2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.257 -8.529 3.276 1.00 0.00 H new ATOM 615 N CYS A 42 -2.176 -7.300 5.817 1.00 0.00 N ATOM 616 CA CYS A 42 -1.176 -6.816 6.778 1.00 0.00 C ATOM 617 C CYS A 42 -1.831 -6.102 7.966 1.00 0.00 C ATOM 618 O CYS A 42 -1.161 -5.744 8.933 1.00 0.00 O ATOM 619 CB CYS A 42 -0.195 -5.873 6.073 1.00 0.00 C ATOM 620 SG CYS A 42 0.509 -6.559 4.554 1.00 0.00 S ATOM 0 H CYS A 42 -2.411 -6.629 5.085 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.638 -7.680 7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.707 -4.940 5.837 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.615 -5.626 6.759 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.331 -6.399 3.575 1.00 0.00 H new ATOM 626 N LYS A 43 -3.149 -5.908 7.876 1.00 0.00 N ATOM 627 CA LYS A 43 -3.928 -5.205 8.907 1.00 0.00 C ATOM 628 C LYS A 43 -3.456 -3.754 9.074 1.00 0.00 C ATOM 629 O LYS A 43 -3.076 -3.319 10.163 1.00 0.00 O ATOM 630 CB LYS A 43 -3.900 -5.949 10.255 1.00 0.00 C ATOM 631 CG LYS A 43 -4.568 -7.324 10.216 1.00 0.00 C ATOM 632 CD LYS A 43 -3.553 -8.459 10.078 1.00 0.00 C ATOM 633 CE LYS A 43 -2.628 -8.538 11.292 1.00 0.00 C ATOM 634 NZ LYS A 43 -3.388 -8.663 12.564 1.00 0.00 N ATOM 0 H LYS A 43 -3.709 -6.232 7.088 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.963 -5.186 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.864 -6.068 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.396 -5.336 11.008 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.150 -7.469 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.268 -7.362 9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.079 -9.406 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.959 -8.309 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.960 -9.392 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.002 -7.646 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.737 -8.916 13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.848 -7.757 12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.111 -9.404 12.465 1.00 0.00 H new ATOM 648 N VAL A 44 -3.465 -3.023 7.964 1.00 0.00 N ATOM 649 CA VAL A 44 -3.175 -1.591 7.969 1.00 0.00 C ATOM 650 C VAL A 44 -4.475 -0.779 8.105 1.00 0.00 C ATOM 651 O VAL A 44 -4.514 0.261 8.764 1.00 0.00 O ATOM 652 CB VAL A 44 -2.433 -1.170 6.677 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.091 0.317 6.711 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.173 -2.018 6.479 1.00 0.00 C ATOM 0 H VAL A 44 -3.672 -3.402 7.040 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.531 -1.385 8.824 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.095 -1.343 5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.570 0.592 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.008 0.899 6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.450 0.523 7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.665 -1.707 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.505 -1.882 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.451 -3.069 6.400 1.00 0.00 H new ATOM 664 N ALA A 45 -5.541 -1.266 7.473 1.00 0.00 N ATOM 665 CA ALA A 45 -6.855 -0.620 7.556 1.00 0.00 C ATOM 666 C ALA A 45 -7.818 -1.435 8.434 1.00 0.00 C ATOM 667 O ALA A 45 -8.683 -2.156 7.934 1.00 0.00 O ATOM 668 CB ALA A 45 -7.434 -0.413 6.163 1.00 0.00 C ATOM 0 H ALA A 45 -5.523 -2.107 6.896 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.725 0.356 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.409 0.067 6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.764 0.220 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.544 -1.378 5.668 1.00 0.00 H new ATOM 674 N ASP A 46 -7.655 -1.306 9.747 1.00 0.00 N ATOM 675 CA ASP A 46 -8.418 -2.109 10.711 1.00 0.00 C ATOM 676 C ASP A 46 -8.591 -1.388 12.062 1.00 0.00 C ATOM 677 O ASP A 46 -9.154 -1.949 13.002 1.00 0.00 O ATOM 678 CB ASP A 46 -7.703 -3.449 10.927 1.00 0.00 C ATOM 679 CG ASP A 46 -6.312 -3.271 11.519 1.00 0.00 C ATOM 680 OD1 ASP A 46 -5.604 -2.330 11.108 1.00 0.00 O ATOM 681 OD2 ASP A 46 -5.931 -4.057 12.413 1.00 0.00 O ATOM 0 H ASP A 46 -7.000 -0.652 10.174 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.414 -2.270 10.299 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.301 -4.075 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.626 -3.975 9.976 1.00 0.00 H new ATOM 686 N GLY A 47 -8.121 -0.141 12.158 1.00 0.00 N ATOM 687 CA GLY A 47 -8.205 0.602 13.412 1.00 0.00 C ATOM 688 C GLY A 47 -9.582 1.211 13.669 1.00 0.00 C ATOM 689 O GLY A 47 -9.689 2.384 14.024 1.00 0.00 O ATOM 0 H GLY A 47 -7.684 0.368 11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.951 -0.064 14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.460 1.398 13.404 1.00 0.00 H new ATOM 693 N LYS A 48 -10.634 0.406 13.481 1.00 0.00 N ATOM 694 CA LYS A 48 -12.021 0.822 13.735 1.00 0.00 C ATOM 695 C LYS A 48 -12.397 2.160 13.063 1.00 0.00 C ATOM 696 O LYS A 48 -13.360 2.807 13.469 1.00 0.00 O ATOM 697 CB LYS A 48 -12.261 0.917 15.247 1.00 0.00 C ATOM 698 CG LYS A 48 -12.004 -0.387 15.999 1.00 0.00 C ATOM 699 CD LYS A 48 -12.267 -0.230 17.493 1.00 0.00 C ATOM 700 CE LYS A 48 -13.707 0.185 17.764 1.00 0.00 C ATOM 701 NZ LYS A 48 -13.954 0.421 19.210 1.00 0.00 N ATOM 0 H LYS A 48 -10.549 -0.554 13.148 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.662 0.061 13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.618 1.695 15.659 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.291 1.229 15.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.643 -1.173 15.596 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.973 -0.703 15.841 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.056 -1.171 18.002 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.588 0.515 17.907 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.935 1.092 17.204 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.382 -0.590 17.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.945 0.701 19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.762 -0.452 19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.328 1.179 19.550 1.00 0.00 H new ATOM 715 N SER A 49 -11.667 2.565 12.023 1.00 0.00 N ATOM 716 CA SER A 49 -11.919 3.862 11.381 1.00 0.00 C ATOM 717 C SER A 49 -11.630 3.787 9.890 1.00 0.00 C ATOM 718 O SER A 49 -12.519 3.967 9.060 1.00 0.00 O ATOM 719 CB SER A 49 -11.049 4.952 12.025 1.00 0.00 C ATOM 720 OG SER A 49 -9.671 4.605 11.968 1.00 0.00 O ATOM 0 H SER A 49 -10.907 2.025 11.610 1.00 0.00 H new ATOM 0 HA SER A 49 -12.970 4.114 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.210 5.901 11.513 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.349 5.095 13.063 1.00 0.00 H new ATOM 0 HG SER A 49 -9.488 3.885 12.607 1.00 0.00 H new ATOM 726 N VAL A 50 -10.372 3.532 9.572 1.00 0.00 N ATOM 727 CA VAL A 50 -9.932 3.298 8.196 1.00 0.00 C ATOM 728 C VAL A 50 -10.829 2.279 7.452 1.00 0.00 C ATOM 729 O VAL A 50 -11.736 2.664 6.715 1.00 0.00 O ATOM 730 CB VAL A 50 -8.449 2.831 8.161 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.506 4.018 7.963 1.00 0.00 C ATOM 732 CG2 VAL A 50 -8.071 2.065 9.433 1.00 0.00 C ATOM 0 H VAL A 50 -9.620 3.480 10.259 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.020 4.251 7.674 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.343 2.155 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.475 3.664 7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.739 4.514 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.631 4.723 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.028 1.754 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.209 2.710 10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.707 1.185 9.530 1.00 0.00 H new ATOM 742 N THR A 51 -10.559 0.987 7.651 1.00 0.00 N ATOM 743 CA THR A 51 -11.358 -0.113 7.064 1.00 0.00 C ATOM 744 C THR A 51 -11.405 -0.050 5.525 1.00 0.00 C ATOM 745 O THR A 51 -10.745 0.786 4.903 1.00 0.00 O ATOM 746 CB THR A 51 -12.817 -0.156 7.605 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.624 0.872 7.001 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.847 -0.005 9.126 1.00 0.00 C ATOM 0 H THR A 51 -9.780 0.664 8.224 1.00 0.00 H new ATOM 0 HA THR A 51 -10.843 -1.023 7.371 1.00 0.00 H new ATOM 0 HB THR A 51 -13.231 -1.129 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.059 1.638 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.879 -0.039 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.283 -0.818 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.401 0.949 9.406 1.00 0.00 H new ATOM 756 N GLY A 52 -12.190 -0.943 4.916 1.00 0.00 N ATOM 757 CA GLY A 52 -12.321 -0.973 3.459 1.00 0.00 C ATOM 758 C GLY A 52 -12.790 0.354 2.868 1.00 0.00 C ATOM 759 O GLY A 52 -12.457 0.692 1.730 1.00 0.00 O ATOM 0 H GLY A 52 -12.740 -1.649 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.359 -1.239 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.026 -1.756 3.180 1.00 0.00 H new ATOM 763 N THR A 53 -13.568 1.110 3.644 1.00 0.00 N ATOM 764 CA THR A 53 -14.051 2.427 3.212 1.00 0.00 C ATOM 765 C THR A 53 -12.888 3.364 2.871 1.00 0.00 C ATOM 766 O THR A 53 -12.778 3.845 1.738 1.00 0.00 O ATOM 767 CB THR A 53 -14.939 3.091 4.292 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.110 2.289 4.517 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.360 4.502 3.883 1.00 0.00 C ATOM 0 H THR A 53 -13.879 0.835 4.576 1.00 0.00 H new ATOM 0 HA THR A 53 -14.650 2.260 2.317 1.00 0.00 H new ATOM 0 HB THR A 53 -14.354 3.163 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.669 2.711 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.982 4.937 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.473 5.119 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.925 4.458 2.952 1.00 0.00 H new ATOM 777 N ASP A 54 -12.013 3.609 3.846 1.00 0.00 N ATOM 778 CA ASP A 54 -10.857 4.483 3.642 1.00 0.00 C ATOM 779 C ASP A 54 -9.908 3.900 2.582 1.00 0.00 C ATOM 780 O ASP A 54 -9.358 4.634 1.761 1.00 0.00 O ATOM 781 CB ASP A 54 -10.117 4.697 4.966 1.00 0.00 C ATOM 782 CG ASP A 54 -9.048 5.767 4.867 1.00 0.00 C ATOM 783 OD1 ASP A 54 -9.389 6.967 4.954 1.00 0.00 O ATOM 784 OD2 ASP A 54 -7.862 5.418 4.702 1.00 0.00 O ATOM 0 H ASP A 54 -12.082 3.215 4.784 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.215 5.447 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.834 4.975 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.659 3.758 5.279 1.00 0.00 H new ATOM 789 N VAL A 55 -9.729 2.577 2.600 1.00 0.00 N ATOM 790 CA VAL A 55 -8.928 1.885 1.574 1.00 0.00 C ATOM 791 C VAL A 55 -9.313 2.315 0.145 1.00 0.00 C ATOM 792 O VAL A 55 -8.443 2.514 -0.713 1.00 0.00 O ATOM 793 CB VAL A 55 -9.072 0.345 1.687 1.00 0.00 C ATOM 794 CG1 VAL A 55 -8.362 -0.370 0.536 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.535 -0.140 3.025 1.00 0.00 C ATOM 0 H VAL A 55 -10.125 1.960 3.310 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.893 2.171 1.759 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.133 0.104 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.483 -1.448 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.795 -0.052 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.301 -0.121 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.643 -1.223 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.481 0.125 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.095 0.329 3.834 1.00 0.00 H new ATOM 805 N ASP A 56 -10.617 2.467 -0.108 1.00 0.00 N ATOM 806 CA ASP A 56 -11.098 2.874 -1.430 1.00 0.00 C ATOM 807 C ASP A 56 -10.825 4.364 -1.668 1.00 0.00 C ATOM 808 O ASP A 56 -10.468 4.776 -2.775 1.00 0.00 O ATOM 809 CB ASP A 56 -12.597 2.580 -1.560 1.00 0.00 C ATOM 810 CG ASP A 56 -13.123 2.833 -2.964 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.997 1.932 -3.823 1.00 0.00 O ATOM 812 OD2 ASP A 56 -13.674 3.926 -3.216 1.00 0.00 O ATOM 0 H ASP A 56 -11.353 2.315 0.581 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.560 2.301 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.785 1.541 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.148 3.200 -0.852 1.00 0.00 H new ATOM 817 N ILE A 57 -10.987 5.166 -0.616 1.00 0.00 N ATOM 818 CA ILE A 57 -10.728 6.608 -0.695 1.00 0.00 C ATOM 819 C ILE A 57 -9.255 6.888 -1.035 1.00 0.00 C ATOM 820 O ILE A 57 -8.951 7.717 -1.890 1.00 0.00 O ATOM 821 CB ILE A 57 -11.088 7.316 0.634 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.483 6.866 1.108 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.015 8.842 0.474 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.016 7.636 2.299 1.00 0.00 C ATOM 0 H ILE A 57 -11.296 4.844 0.301 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.360 7.003 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.361 7.032 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.185 6.968 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.443 5.807 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.272 9.320 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.004 9.130 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.717 9.161 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.002 7.255 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.338 7.514 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.092 8.693 2.044 1.00 0.00 H new ATOM 836 N VAL A 58 -8.350 6.183 -0.360 1.00 0.00 N ATOM 837 CA VAL A 58 -6.911 6.330 -0.590 1.00 0.00 C ATOM 838 C VAL A 58 -6.514 5.920 -2.017 1.00 0.00 C ATOM 839 O VAL A 58 -5.822 6.662 -2.718 1.00 0.00 O ATOM 840 CB VAL A 58 -6.094 5.490 0.422 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.598 5.596 0.134 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.405 5.921 1.853 1.00 0.00 C ATOM 0 H VAL A 58 -8.589 5.498 0.357 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.683 7.387 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.384 4.445 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.045 4.998 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.394 5.229 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.286 6.638 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.821 5.319 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.149 6.973 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.467 5.779 2.053 1.00 0.00 H new ATOM 852 N PHE A 59 -6.965 4.740 -2.445 1.00 0.00 N ATOM 853 CA PHE A 59 -6.641 4.237 -3.784 1.00 0.00 C ATOM 854 C PHE A 59 -7.113 5.217 -4.864 1.00 0.00 C ATOM 855 O PHE A 59 -6.361 5.581 -5.766 1.00 0.00 O ATOM 856 CB PHE A 59 -7.281 2.861 -4.008 1.00 0.00 C ATOM 857 CG PHE A 59 -6.921 2.231 -5.335 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.725 1.543 -5.490 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.777 2.325 -6.423 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.393 0.965 -6.701 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.447 1.750 -7.636 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.255 1.069 -7.776 1.00 0.00 C ATOM 0 H PHE A 59 -7.552 4.117 -1.890 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.558 4.139 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.974 2.192 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.365 2.960 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.046 1.458 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.713 2.854 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.460 0.432 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.122 1.834 -8.475 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.997 0.619 -8.723 1.00 0.00 H new ATOM 872 N SER A 60 -8.361 5.657 -4.746 1.00 0.00 N ATOM 873 CA SER A 60 -8.950 6.602 -5.705 1.00 0.00 C ATOM 874 C SER A 60 -8.286 7.983 -5.601 1.00 0.00 C ATOM 875 O SER A 60 -8.197 8.718 -6.586 1.00 0.00 O ATOM 876 CB SER A 60 -10.459 6.732 -5.465 1.00 0.00 C ATOM 877 OG SER A 60 -10.731 7.260 -4.177 1.00 0.00 O ATOM 0 H SER A 60 -8.991 5.377 -3.995 1.00 0.00 H new ATOM 0 HA SER A 60 -8.777 6.212 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.896 7.379 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.931 5.755 -5.567 1.00 0.00 H new ATOM 0 HG SER A 60 -10.691 6.540 -3.513 1.00 0.00 H new ATOM 883 N LYS A 61 -7.822 8.322 -4.401 1.00 0.00 N ATOM 884 CA LYS A 61 -7.122 9.588 -4.152 1.00 0.00 C ATOM 885 C LYS A 61 -5.792 9.660 -4.922 1.00 0.00 C ATOM 886 O LYS A 61 -5.486 10.670 -5.562 1.00 0.00 O ATOM 887 CB LYS A 61 -6.865 9.750 -2.645 1.00 0.00 C ATOM 888 CG LYS A 61 -6.225 11.079 -2.249 1.00 0.00 C ATOM 889 CD LYS A 61 -5.934 11.149 -0.752 1.00 0.00 C ATOM 890 CE LYS A 61 -5.313 12.485 -0.360 1.00 0.00 C ATOM 891 NZ LYS A 61 -4.986 12.551 1.088 1.00 0.00 N ATOM 0 H LYS A 61 -7.918 7.732 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.756 10.400 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.812 9.645 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.221 8.937 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.298 11.215 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.888 11.898 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.859 11.000 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.260 10.339 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.406 12.647 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.002 13.291 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.334 13.342 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.859 12.696 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.536 11.661 1.383 1.00 0.00 H new ATOM 905 N VAL A 62 -5.006 8.585 -4.858 1.00 0.00 N ATOM 906 CA VAL A 62 -3.700 8.538 -5.531 1.00 0.00 C ATOM 907 C VAL A 62 -3.803 8.028 -6.982 1.00 0.00 C ATOM 908 O VAL A 62 -2.859 8.164 -7.762 1.00 0.00 O ATOM 909 CB VAL A 62 -2.689 7.660 -4.746 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.429 8.247 -3.357 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.179 6.212 -4.643 1.00 0.00 C ATOM 0 H VAL A 62 -5.247 7.735 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.339 9.566 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.748 7.655 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.718 7.617 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.019 9.252 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.365 8.291 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.451 5.620 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.137 6.188 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.298 5.796 -5.643 1.00 0.00 H new ATOM 921 N LYS A 63 -4.946 7.444 -7.342 1.00 0.00 N ATOM 922 CA LYS A 63 -5.163 6.938 -8.705 1.00 0.00 C ATOM 923 C LYS A 63 -5.409 8.083 -9.700 1.00 0.00 C ATOM 924 O LYS A 63 -6.123 9.043 -9.398 1.00 0.00 O ATOM 925 CB LYS A 63 -6.356 5.965 -8.731 1.00 0.00 C ATOM 926 CG LYS A 63 -6.636 5.354 -10.105 1.00 0.00 C ATOM 927 CD LYS A 63 -7.822 4.386 -10.071 1.00 0.00 C ATOM 928 CE LYS A 63 -9.124 5.081 -9.684 1.00 0.00 C ATOM 929 NZ LYS A 63 -10.268 4.132 -9.629 1.00 0.00 N ATOM 0 H LYS A 63 -5.737 7.308 -6.713 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.257 6.412 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.170 5.161 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.248 6.492 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.838 6.150 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.748 4.828 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.938 3.922 -11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.615 3.585 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.004 5.561 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.342 5.870 -10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.132 4.645 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.400 3.693 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.073 3.393 -8.923 1.00 0.00 H new ATOM 943 N GLY A 64 -4.820 7.971 -10.887 1.00 0.00 N ATOM 944 CA GLY A 64 -5.047 8.958 -11.939 1.00 0.00 C ATOM 945 C GLY A 64 -6.485 8.945 -12.466 1.00 0.00 C ATOM 946 O GLY A 64 -7.246 8.015 -12.193 1.00 0.00 O ATOM 0 H GLY A 64 -4.187 7.214 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.815 9.951 -11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.361 8.767 -12.764 1.00 0.00 H new ATOM 950 N LYS A 65 -6.855 9.973 -13.226 1.00 0.00 N ATOM 951 CA LYS A 65 -8.219 10.099 -13.763 1.00 0.00 C ATOM 952 C LYS A 65 -8.551 8.973 -14.758 1.00 0.00 C ATOM 953 O LYS A 65 -9.601 8.339 -14.665 1.00 0.00 O ATOM 954 CB LYS A 65 -8.391 11.470 -14.435 1.00 0.00 C ATOM 955 CG LYS A 65 -8.115 12.651 -13.508 1.00 0.00 C ATOM 956 CD LYS A 65 -9.035 12.648 -12.287 1.00 0.00 C ATOM 957 CE LYS A 65 -8.748 13.824 -11.360 1.00 0.00 C ATOM 958 NZ LYS A 65 -7.372 13.768 -10.793 1.00 0.00 N ATOM 0 H LYS A 65 -6.231 10.736 -13.488 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.915 10.012 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.722 11.530 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.408 11.551 -14.818 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.076 12.619 -13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.246 13.582 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.074 12.688 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.909 11.714 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.876 14.757 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.474 13.830 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.286 14.460 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.187 12.813 -10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.681 13.991 -11.537 1.00 0.00 H new ATOM 972 N SER A 66 -7.648 8.725 -15.699 1.00 0.00 N ATOM 973 CA SER A 66 -7.844 7.671 -16.708 1.00 0.00 C ATOM 974 C SER A 66 -7.080 6.389 -16.342 1.00 0.00 C ATOM 975 O SER A 66 -7.074 5.420 -17.100 1.00 0.00 O ATOM 976 CB SER A 66 -7.393 8.165 -18.089 1.00 0.00 C ATOM 977 OG SER A 66 -8.161 9.283 -18.512 1.00 0.00 O ATOM 0 H SER A 66 -6.770 9.235 -15.791 1.00 0.00 H new ATOM 0 HA SER A 66 -8.908 7.437 -16.735 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.338 8.438 -18.054 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.490 7.358 -18.816 1.00 0.00 H new ATOM 0 HG SER A 66 -7.851 9.578 -19.394 1.00 0.00 H new ATOM 983 N ALA A 67 -6.443 6.390 -15.174 1.00 0.00 N ATOM 984 CA ALA A 67 -5.652 5.243 -14.721 1.00 0.00 C ATOM 985 C ALA A 67 -6.538 4.138 -14.126 1.00 0.00 C ATOM 986 O ALA A 67 -7.453 4.410 -13.350 1.00 0.00 O ATOM 987 CB ALA A 67 -4.606 5.690 -13.700 1.00 0.00 C ATOM 0 H ALA A 67 -6.458 7.173 -14.521 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.147 4.827 -15.593 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.026 4.827 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.941 6.422 -14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.105 6.139 -12.841 1.00 0.00 H new ATOM 993 N ARG A 68 -6.265 2.890 -14.504 1.00 0.00 N ATOM 994 CA ARG A 68 -6.973 1.732 -13.942 1.00 0.00 C ATOM 995 C ARG A 68 -6.291 1.247 -12.650 1.00 0.00 C ATOM 996 O ARG A 68 -6.896 0.545 -11.836 1.00 0.00 O ATOM 997 CB ARG A 68 -7.020 0.574 -14.959 1.00 0.00 C ATOM 998 CG ARG A 68 -8.024 0.746 -16.104 1.00 0.00 C ATOM 999 CD ARG A 68 -7.672 1.894 -17.049 1.00 0.00 C ATOM 1000 NE ARG A 68 -8.478 1.844 -18.271 1.00 0.00 N ATOM 1001 CZ ARG A 68 -9.024 2.879 -18.852 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -8.857 4.072 -18.379 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -9.730 2.714 -19.920 1.00 0.00 N ATOM 0 H ARG A 68 -5.557 2.651 -15.199 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.990 2.048 -13.711 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.025 0.448 -15.386 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.257 -0.346 -14.425 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.077 -0.182 -16.674 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.015 0.920 -15.686 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.833 2.846 -16.544 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.614 1.845 -17.306 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.624 0.931 -18.701 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.293 4.214 -17.541 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.290 4.870 -18.844 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.859 1.779 -20.306 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.158 3.519 -20.377 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.024 1.625 -12.479 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.209 1.178 -11.339 1.00 0.00 C ATOM 1019 C VAL A 69 -3.373 2.332 -10.753 1.00 0.00 C ATOM 1020 O VAL A 69 -3.363 3.443 -11.289 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.248 0.034 -11.762 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.026 -1.203 -12.212 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.296 0.508 -12.865 1.00 0.00 C ATOM 0 H VAL A 69 -4.532 2.246 -13.121 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.902 0.818 -10.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.654 -0.244 -10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.327 -1.987 -12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.650 -1.559 -11.392 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.657 -0.946 -13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.631 -0.308 -13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.874 0.822 -13.734 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.705 1.348 -12.499 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.683 2.062 -9.645 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.737 3.024 -9.066 1.00 0.00 C ATOM 1035 C ILE A 70 -0.293 2.516 -9.203 1.00 0.00 C ATOM 1036 O ILE A 70 -0.037 1.315 -9.114 1.00 0.00 O ATOM 1037 CB ILE A 70 -2.042 3.304 -7.570 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.897 2.022 -6.728 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.443 3.896 -7.417 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -2.129 2.228 -5.243 1.00 0.00 C ATOM 0 H ILE A 70 -2.759 1.186 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.851 3.955 -9.621 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.316 4.029 -7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.603 1.277 -7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.897 1.614 -6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.644 4.088 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.506 4.831 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.180 3.192 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.009 1.279 -4.721 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.407 2.948 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.139 2.605 -5.081 1.00 0.00 H new ATOM 1052 N ASN A 71 0.648 3.427 -9.435 1.00 0.00 N ATOM 1053 CA ASN A 71 2.061 3.052 -9.589 1.00 0.00 C ATOM 1054 C ASN A 71 2.829 3.159 -8.258 1.00 0.00 C ATOM 1055 O ASN A 71 2.436 3.905 -7.360 1.00 0.00 O ATOM 1056 CB ASN A 71 2.720 3.909 -10.678 1.00 0.00 C ATOM 1057 CG ASN A 71 2.540 5.391 -10.438 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.532 5.977 -10.819 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.524 6.015 -9.826 1.00 0.00 N ATOM 0 H ASN A 71 0.465 4.427 -9.521 1.00 0.00 H new ATOM 0 HA ASN A 71 2.100 2.007 -9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.784 3.678 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.296 3.647 -11.648 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.463 7.019 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.347 5.495 -9.523 1.00 0.00 H new ATOM 1066 N TYR A 72 3.932 2.414 -8.157 1.00 0.00 N ATOM 1067 CA TYR A 72 4.706 2.288 -6.910 1.00 0.00 C ATOM 1068 C TYR A 72 5.027 3.643 -6.244 1.00 0.00 C ATOM 1069 O TYR A 72 4.983 3.766 -5.019 1.00 0.00 O ATOM 1070 CB TYR A 72 6.003 1.510 -7.180 1.00 0.00 C ATOM 1071 CG TYR A 72 6.933 1.440 -5.982 1.00 0.00 C ATOM 1072 CD1 TYR A 72 6.545 0.804 -4.805 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.190 2.030 -6.023 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.386 0.755 -3.710 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.032 1.988 -4.931 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.628 1.351 -3.778 1.00 0.00 C ATOM 1077 OH TYR A 72 9.469 1.330 -2.686 1.00 0.00 O ATOM 0 H TYR A 72 4.318 1.879 -8.935 1.00 0.00 H new ATOM 0 HA TYR A 72 4.078 1.743 -6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.750 0.497 -7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.530 1.978 -8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.571 0.342 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.513 2.530 -6.924 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.073 0.253 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.005 2.453 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 72 10.373 1.586 -2.964 1.00 0.00 H new ATOM 1087 N GLU A 73 5.360 4.650 -7.043 1.00 0.00 N ATOM 1088 CA GLU A 73 5.649 5.991 -6.511 1.00 0.00 C ATOM 1089 C GLU A 73 4.432 6.586 -5.777 1.00 0.00 C ATOM 1090 O GLU A 73 4.568 7.176 -4.702 1.00 0.00 O ATOM 1091 CB GLU A 73 6.104 6.912 -7.647 1.00 0.00 C ATOM 1092 CG GLU A 73 7.402 6.450 -8.298 1.00 0.00 C ATOM 1093 CD GLU A 73 7.732 7.210 -9.568 1.00 0.00 C ATOM 1094 OE1 GLU A 73 7.208 6.832 -10.637 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.520 8.180 -9.502 1.00 0.00 O ATOM 0 H GLU A 73 5.438 4.572 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 73 6.453 5.902 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.321 6.962 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.237 7.922 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.220 6.568 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.329 5.387 -8.526 1.00 0.00 H new ATOM 1102 N GLU A 74 3.242 6.408 -6.351 1.00 0.00 N ATOM 1103 CA GLU A 74 1.999 6.855 -5.710 1.00 0.00 C ATOM 1104 C GLU A 74 1.644 5.941 -4.528 1.00 0.00 C ATOM 1105 O GLU A 74 1.017 6.367 -3.558 1.00 0.00 O ATOM 1106 CB GLU A 74 0.853 6.890 -6.737 1.00 0.00 C ATOM 1107 CG GLU A 74 1.139 7.769 -7.955 1.00 0.00 C ATOM 1108 CD GLU A 74 1.496 9.204 -7.589 1.00 0.00 C ATOM 1109 OE1 GLU A 74 2.681 9.479 -7.304 1.00 0.00 O ATOM 1110 OE2 GLU A 74 0.596 10.069 -7.586 1.00 0.00 O ATOM 0 H GLU A 74 3.110 5.959 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 74 2.148 7.864 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.650 5.874 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.051 7.250 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.958 7.332 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.264 7.774 -8.605 1.00 0.00 H new ATOM 1117 N PHE A 75 2.076 4.684 -4.615 1.00 0.00 N ATOM 1118 CA PHE A 75 1.913 3.717 -3.526 1.00 0.00 C ATOM 1119 C PHE A 75 2.603 4.213 -2.240 1.00 0.00 C ATOM 1120 O PHE A 75 2.095 4.013 -1.139 1.00 0.00 O ATOM 1121 CB PHE A 75 2.475 2.357 -3.969 1.00 0.00 C ATOM 1122 CG PHE A 75 2.435 1.279 -2.915 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.233 0.695 -2.540 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.605 0.842 -2.308 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.201 -0.298 -1.580 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.575 -0.153 -1.350 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.372 -0.723 -0.986 1.00 0.00 C ATOM 0 H PHE A 75 2.547 4.307 -5.437 1.00 0.00 H new ATOM 0 HA PHE A 75 0.852 3.606 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.915 2.015 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.508 2.494 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.313 1.020 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.549 1.285 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.259 -0.742 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.492 -0.485 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.347 -1.501 -0.237 1.00 0.00 H new ATOM 1137 N LYS A 76 3.751 4.878 -2.390 1.00 0.00 N ATOM 1138 CA LYS A 76 4.443 5.484 -1.243 1.00 0.00 C ATOM 1139 C LYS A 76 3.566 6.553 -0.566 1.00 0.00 C ATOM 1140 O LYS A 76 3.482 6.606 0.663 1.00 0.00 O ATOM 1141 CB LYS A 76 5.790 6.089 -1.672 1.00 0.00 C ATOM 1142 CG LYS A 76 6.863 5.054 -2.013 1.00 0.00 C ATOM 1143 CD LYS A 76 8.199 5.722 -2.333 1.00 0.00 C ATOM 1144 CE LYS A 76 9.286 4.709 -2.687 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.674 3.852 -1.531 1.00 0.00 N ATOM 0 H LYS A 76 4.220 5.012 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 76 4.635 4.693 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.628 6.728 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.160 6.728 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.989 4.368 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.538 4.459 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.066 6.414 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.522 6.312 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.935 4.076 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.166 5.239 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.677 4.007 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.091 4.098 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.525 2.852 -1.775 1.00 0.00 H new ATOM 1159 N LYS A 77 2.906 7.400 -1.366 1.00 0.00 N ATOM 1160 CA LYS A 77 1.969 8.393 -0.819 1.00 0.00 C ATOM 1161 C LYS A 77 0.777 7.707 -0.142 1.00 0.00 C ATOM 1162 O LYS A 77 0.288 8.161 0.893 1.00 0.00 O ATOM 1163 CB LYS A 77 1.462 9.360 -1.904 1.00 0.00 C ATOM 1164 CG LYS A 77 2.504 10.367 -2.393 1.00 0.00 C ATOM 1165 CD LYS A 77 1.846 11.629 -2.959 1.00 0.00 C ATOM 1166 CE LYS A 77 1.065 11.362 -4.245 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.958 11.254 -5.430 1.00 0.00 N ATOM 0 H LYS A 77 3.000 7.420 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 77 2.519 8.971 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.110 8.778 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.603 9.906 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.164 10.638 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.126 9.905 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.174 12.049 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.614 12.378 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.494 10.440 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.346 12.165 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.412 11.446 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.730 11.946 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.357 10.295 -5.478 1.00 0.00 H new ATOM 1181 N ALA A 78 0.314 6.610 -0.736 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.765 5.810 -0.152 1.00 0.00 C ATOM 1183 C ALA A 78 -0.357 5.238 1.219 1.00 0.00 C ATOM 1184 O ALA A 78 -1.151 5.224 2.160 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.159 4.690 -1.107 1.00 0.00 C ATOM 0 H ALA A 78 0.668 6.252 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.626 6.459 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.962 4.100 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.500 5.119 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.297 4.049 -1.291 1.00 0.00 H new ATOM 1191 N LEU A 79 0.890 4.774 1.322 1.00 0.00 N ATOM 1192 CA LEU A 79 1.435 4.291 2.599 1.00 0.00 C ATOM 1193 C LEU A 79 1.515 5.423 3.628 1.00 0.00 C ATOM 1194 O LEU A 79 1.157 5.240 4.786 1.00 0.00 O ATOM 1195 CB LEU A 79 2.827 3.679 2.405 1.00 0.00 C ATOM 1196 CG LEU A 79 2.877 2.407 1.546 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.311 1.907 1.421 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.971 1.320 2.127 1.00 0.00 C ATOM 0 H LEU A 79 1.543 4.721 0.540 1.00 0.00 H new ATOM 0 HA LEU A 79 0.757 3.523 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.474 4.429 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.244 3.451 3.386 1.00 0.00 H new ATOM 0 HG LEU A 79 2.509 2.652 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.330 1.005 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.925 2.676 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.705 1.682 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.024 0.429 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.300 1.074 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.943 1.681 2.158 1.00 0.00 H new ATOM 1210 N GLU A 80 1.996 6.588 3.197 1.00 0.00 N ATOM 1211 CA GLU A 80 2.053 7.776 4.061 1.00 0.00 C ATOM 1212 C GLU A 80 0.654 8.113 4.610 1.00 0.00 C ATOM 1213 O GLU A 80 0.480 8.361 5.806 1.00 0.00 O ATOM 1214 CB GLU A 80 2.620 8.967 3.269 1.00 0.00 C ATOM 1215 CG GLU A 80 2.818 10.236 4.096 1.00 0.00 C ATOM 1216 CD GLU A 80 3.289 11.419 3.256 1.00 0.00 C ATOM 1217 OE1 GLU A 80 2.538 11.854 2.356 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.411 11.923 3.490 1.00 0.00 O ATOM 0 H GLU A 80 2.354 6.739 2.254 1.00 0.00 H new ATOM 0 HA GLU A 80 2.709 7.567 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.577 8.677 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.949 9.189 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.880 10.495 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.547 10.042 4.883 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.335 8.093 3.720 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.743 8.309 4.080 1.00 0.00 C ATOM 1227 C GLU A 81 -2.207 7.323 5.174 1.00 0.00 C ATOM 1228 O GLU A 81 -2.637 7.727 6.259 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.602 8.141 2.814 1.00 0.00 C ATOM 1230 CG GLU A 81 -4.104 8.340 3.015 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.508 9.790 3.242 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -3.839 10.694 2.704 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -5.512 10.029 3.947 1.00 0.00 O ATOM 0 H GLU A 81 -0.187 7.926 2.725 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.855 9.315 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.255 8.850 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.435 7.142 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.632 7.958 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.429 7.745 3.868 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.107 6.026 4.886 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.548 4.990 5.826 1.00 0.00 C ATOM 1242 C LEU A 82 -1.745 5.020 7.136 1.00 0.00 C ATOM 1243 O LEU A 82 -2.317 4.936 8.217 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.443 3.602 5.179 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.378 3.361 3.982 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.172 1.956 3.416 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.835 3.570 4.385 1.00 0.00 C ATOM 0 H LEU A 82 -1.726 5.665 4.011 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.589 5.198 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.415 3.449 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.651 2.849 5.939 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.133 4.084 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.842 1.803 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.139 1.844 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.388 1.217 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.480 3.395 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.096 2.873 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.972 4.592 4.738 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.423 5.146 7.032 1.00 0.00 N ATOM 1260 CA ALA A 83 0.458 5.171 8.210 1.00 0.00 C ATOM 1261 C ALA A 83 0.109 6.326 9.161 1.00 0.00 C ATOM 1262 O ALA A 83 0.048 6.143 10.378 1.00 0.00 O ATOM 1263 CB ALA A 83 1.919 5.265 7.781 1.00 0.00 C ATOM 0 H ALA A 83 0.068 5.233 6.142 1.00 0.00 H new ATOM 0 HA ALA A 83 0.304 4.238 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.557 5.282 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.174 4.402 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.071 6.178 7.205 1.00 0.00 H new ATOM 1269 N THR A 84 -0.125 7.512 8.600 1.00 0.00 N ATOM 1270 CA THR A 84 -0.469 8.695 9.402 1.00 0.00 C ATOM 1271 C THR A 84 -1.812 8.532 10.126 1.00 0.00 C ATOM 1272 O THR A 84 -1.979 9.021 11.244 1.00 0.00 O ATOM 1273 CB THR A 84 -0.518 9.983 8.543 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.393 9.799 7.424 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.875 10.377 8.055 1.00 0.00 C ATOM 0 H THR A 84 -0.084 7.683 7.595 1.00 0.00 H new ATOM 0 HA THR A 84 0.325 8.789 10.143 1.00 0.00 H new ATOM 0 HB THR A 84 -0.900 10.789 9.170 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.699 8.868 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.807 11.285 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.524 10.556 8.912 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.289 9.571 7.449 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.765 7.858 9.485 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.088 7.624 10.088 1.00 0.00 C ATOM 1285 C LYS A 85 -4.155 6.317 10.906 1.00 0.00 C ATOM 1286 O LYS A 85 -5.039 6.152 11.746 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.159 7.618 8.994 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.233 8.928 8.214 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.272 8.875 7.099 1.00 0.00 C ATOM 1290 CE LYS A 85 -5.996 7.737 6.126 1.00 0.00 C ATOM 1291 NZ LYS A 85 -6.870 7.808 4.931 1.00 0.00 N ATOM 0 H LYS A 85 -2.652 7.463 8.551 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.271 8.439 10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.956 6.802 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.130 7.418 9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.476 9.742 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.255 9.151 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.265 8.751 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.276 9.822 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.952 7.771 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.148 6.783 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.892 6.880 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.833 8.072 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.499 8.521 4.271 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.234 5.387 10.655 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.193 4.115 11.394 1.00 0.00 C ATOM 1307 C ARG A 86 -2.461 4.283 12.724 1.00 0.00 C ATOM 1308 O ARG A 86 -2.959 3.911 13.789 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.491 3.035 10.561 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.553 1.631 11.167 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.974 1.240 11.578 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.071 -0.166 11.967 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.938 -0.616 13.184 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.619 0.182 14.160 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.114 -1.873 13.418 1.00 0.00 N ATOM 0 H ARG A 86 -2.505 5.485 9.948 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.221 3.809 11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.940 3.009 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.446 3.316 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.174 0.908 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.899 1.584 12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.295 1.868 12.409 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.656 1.434 10.750 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.257 -0.847 11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.469 1.175 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.519 -0.185 15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.355 -2.505 12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.012 -2.234 14.366 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.253 4.808 12.631 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.447 5.133 13.808 1.00 0.00 C ATOM 1331 C PHE A 87 -0.643 6.606 14.193 1.00 0.00 C ATOM 1332 O PHE A 87 -0.328 7.505 13.413 1.00 0.00 O ATOM 1333 CB PHE A 87 1.034 4.854 13.523 1.00 0.00 C ATOM 1334 CG PHE A 87 1.315 3.433 13.095 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.444 2.424 14.039 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.444 3.104 11.749 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.696 1.120 13.653 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.694 1.803 11.360 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.820 0.809 12.312 1.00 0.00 C ATOM 0 H PHE A 87 -0.798 5.023 11.744 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.770 4.508 14.640 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.379 5.533 12.743 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.615 5.076 14.418 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.346 2.660 15.088 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.347 3.876 11.000 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.796 0.345 14.399 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.791 1.562 10.312 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.015 -0.209 12.009 1.00 0.00 H new ATOM 1349 N LYS A 88 -1.168 6.855 15.390 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.452 8.224 15.839 1.00 0.00 C ATOM 1351 C LYS A 88 -0.188 8.907 16.392 1.00 0.00 C ATOM 1352 O LYS A 88 0.282 9.906 15.836 1.00 0.00 O ATOM 1353 CB LYS A 88 -2.590 8.209 16.878 1.00 0.00 C ATOM 1354 CG LYS A 88 -3.024 9.590 17.369 1.00 0.00 C ATOM 1355 CD LYS A 88 -4.343 9.518 18.140 1.00 0.00 C ATOM 1356 CE LYS A 88 -4.710 10.857 18.769 1.00 0.00 C ATOM 1357 NZ LYS A 88 -3.728 11.258 19.810 1.00 0.00 N ATOM 0 H LYS A 88 -1.407 6.132 16.068 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.778 8.812 14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.453 7.705 16.444 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.273 7.616 17.736 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.249 10.011 18.009 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.134 10.262 16.518 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.140 9.203 17.466 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.266 8.760 18.920 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.755 11.623 17.995 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.704 10.792 19.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.128 12.025 20.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.514 10.442 20.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.854 11.588 19.354 1.00 0.00 H new ATOM 1371 N GLY A 89 0.371 8.359 17.472 1.00 0.00 N ATOM 1372 CA GLY A 89 1.616 8.896 18.027 1.00 0.00 C ATOM 1373 C GLY A 89 2.853 8.382 17.291 1.00 0.00 C ATOM 1374 O GLY A 89 3.366 7.308 17.603 1.00 0.00 O ATOM 0 H GLY A 89 -0.010 7.557 17.974 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.593 9.985 17.976 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.686 8.627 19.081 1.00 0.00 H new ATOM 1378 N LYS A 90 3.334 9.149 16.309 1.00 0.00 N ATOM 1379 CA LYS A 90 4.450 8.704 15.456 1.00 0.00 C ATOM 1380 C LYS A 90 5.211 9.865 14.783 1.00 0.00 C ATOM 1381 O LYS A 90 4.799 11.025 14.844 1.00 0.00 O ATOM 1382 CB LYS A 90 3.921 7.735 14.376 1.00 0.00 C ATOM 1383 CG LYS A 90 2.608 8.173 13.702 1.00 0.00 C ATOM 1384 CD LYS A 90 2.729 9.503 12.952 1.00 0.00 C ATOM 1385 CE LYS A 90 1.424 9.899 12.265 1.00 0.00 C ATOM 1386 NZ LYS A 90 0.293 10.036 13.227 1.00 0.00 N ATOM 0 H LYS A 90 2.974 10.076 16.082 1.00 0.00 H new ATOM 0 HA LYS A 90 5.163 8.202 16.110 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.685 7.617 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.771 6.755 14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.289 7.398 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.830 8.260 14.460 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.022 10.287 13.651 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.521 9.427 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.566 10.843 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.170 9.150 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.325 10.817 12.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.253 9.151 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.667 10.236 14.177 1.00 0.00 H new ATOM 1400 N SER A 91 6.331 9.524 14.142 1.00 0.00 N ATOM 1401 CA SER A 91 7.061 10.458 13.260 1.00 0.00 C ATOM 1402 C SER A 91 6.935 10.011 11.793 1.00 0.00 C ATOM 1403 O SER A 91 6.308 8.990 11.510 1.00 0.00 O ATOM 1404 CB SER A 91 8.544 10.535 13.654 1.00 0.00 C ATOM 1405 OG SER A 91 9.256 11.438 12.819 1.00 0.00 O ATOM 0 H SER A 91 6.761 8.602 14.214 1.00 0.00 H new ATOM 0 HA SER A 91 6.619 11.448 13.373 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.630 10.853 14.693 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.992 9.544 13.586 1.00 0.00 H new ATOM 0 HG SER A 91 10.196 11.467 13.095 1.00 0.00 H new ATOM 1411 N LYS A 92 7.533 10.760 10.864 1.00 0.00 N ATOM 1412 CA LYS A 92 7.444 10.425 9.432 1.00 0.00 C ATOM 1413 C LYS A 92 8.028 9.031 9.132 1.00 0.00 C ATOM 1414 O LYS A 92 7.289 8.064 8.927 1.00 0.00 O ATOM 1415 CB LYS A 92 8.171 11.471 8.568 1.00 0.00 C ATOM 1416 CG LYS A 92 8.092 11.175 7.065 1.00 0.00 C ATOM 1417 CD LYS A 92 9.100 11.983 6.246 1.00 0.00 C ATOM 1418 CE LYS A 92 8.855 13.483 6.334 1.00 0.00 C ATOM 1419 NZ LYS A 92 9.781 14.234 5.449 1.00 0.00 N ATOM 0 H LYS A 92 8.080 11.596 11.070 1.00 0.00 H new ATOM 0 HA LYS A 92 6.383 10.422 9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.741 12.454 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.218 11.516 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.266 10.112 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.085 11.392 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.108 11.762 6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.049 11.671 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.824 13.702 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.984 13.815 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.590 15.253 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.763 14.042 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.640 13.933 4.463 1.00 0.00 H new ATOM 1433 N GLU A 93 9.360 8.937 9.112 1.00 0.00 N ATOM 1434 CA GLU A 93 10.043 7.685 8.770 1.00 0.00 C ATOM 1435 C GLU A 93 9.690 6.554 9.749 1.00 0.00 C ATOM 1436 O GLU A 93 9.552 5.407 9.345 1.00 0.00 O ATOM 1437 CB GLU A 93 11.569 7.883 8.710 1.00 0.00 C ATOM 1438 CG GLU A 93 12.036 8.870 7.633 1.00 0.00 C ATOM 1439 CD GLU A 93 12.287 10.277 8.163 1.00 0.00 C ATOM 1440 OE1 GLU A 93 11.466 10.778 8.964 1.00 0.00 O ATOM 1441 OE2 GLU A 93 13.317 10.877 7.794 1.00 0.00 O ATOM 0 H GLU A 93 9.987 9.712 9.328 1.00 0.00 H new ATOM 0 HA GLU A 93 9.691 7.392 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.917 8.233 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.042 6.917 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.952 8.493 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.285 8.916 6.844 1.00 0.00 H new ATOM 1448 N GLU A 94 9.521 6.883 11.029 1.00 0.00 N ATOM 1449 CA GLU A 94 9.134 5.879 12.033 1.00 0.00 C ATOM 1450 C GLU A 94 7.819 5.172 11.650 1.00 0.00 C ATOM 1451 O GLU A 94 7.725 3.941 11.697 1.00 0.00 O ATOM 1452 CB GLU A 94 8.999 6.523 13.421 1.00 0.00 C ATOM 1453 CG GLU A 94 8.422 5.583 14.477 1.00 0.00 C ATOM 1454 CD GLU A 94 8.473 6.159 15.885 1.00 0.00 C ATOM 1455 OE1 GLU A 94 8.079 7.330 16.071 1.00 0.00 O ATOM 1456 OE2 GLU A 94 8.905 5.439 16.813 1.00 0.00 O ATOM 0 H GLU A 94 9.643 7.826 11.398 1.00 0.00 H new ATOM 0 HA GLU A 94 9.925 5.129 12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.980 6.867 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.362 7.404 13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.387 5.353 14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.972 4.642 14.456 1.00 0.00 H new ATOM 1463 N ALA A 95 6.811 5.956 11.266 1.00 0.00 N ATOM 1464 CA ALA A 95 5.516 5.404 10.851 1.00 0.00 C ATOM 1465 C ALA A 95 5.622 4.691 9.499 1.00 0.00 C ATOM 1466 O ALA A 95 5.035 3.625 9.298 1.00 0.00 O ATOM 1467 CB ALA A 95 4.465 6.507 10.785 1.00 0.00 C ATOM 0 H ALA A 95 6.864 6.974 11.233 1.00 0.00 H new ATOM 0 HA ALA A 95 5.212 4.669 11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.510 6.082 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.357 6.966 11.768 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.776 7.263 10.064 1.00 0.00 H new ATOM 1473 N PHE A 96 6.385 5.281 8.577 1.00 0.00 N ATOM 1474 CA PHE A 96 6.555 4.716 7.235 1.00 0.00 C ATOM 1475 C PHE A 96 7.249 3.339 7.301 1.00 0.00 C ATOM 1476 O PHE A 96 6.801 2.379 6.675 1.00 0.00 O ATOM 1477 CB PHE A 96 7.348 5.685 6.343 1.00 0.00 C ATOM 1478 CG PHE A 96 7.062 5.521 4.868 1.00 0.00 C ATOM 1479 CD1 PHE A 96 7.807 4.643 4.091 1.00 0.00 C ATOM 1480 CD2 PHE A 96 6.042 6.249 4.260 1.00 0.00 C ATOM 1481 CE1 PHE A 96 7.544 4.494 2.742 1.00 0.00 C ATOM 1482 CE2 PHE A 96 5.779 6.102 2.910 1.00 0.00 C ATOM 1483 CZ PHE A 96 6.531 5.225 2.151 1.00 0.00 C ATOM 0 H PHE A 96 6.895 6.150 8.734 1.00 0.00 H new ATOM 0 HA PHE A 96 5.568 4.572 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.117 6.709 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.414 5.536 6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.601 4.070 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.451 6.935 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.130 3.806 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.986 6.672 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.327 5.111 1.097 1.00 0.00 H new ATOM 1493 N ASP A 97 8.342 3.249 8.067 1.00 0.00 N ATOM 1494 CA ASP A 97 8.998 1.963 8.335 1.00 0.00 C ATOM 1495 C ASP A 97 8.013 0.959 8.955 1.00 0.00 C ATOM 1496 O ASP A 97 7.900 -0.172 8.488 1.00 0.00 O ATOM 1497 CB ASP A 97 10.207 2.150 9.269 1.00 0.00 C ATOM 1498 CG ASP A 97 11.461 2.591 8.531 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.640 3.804 8.309 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.288 1.716 8.184 1.00 0.00 O ATOM 0 H ASP A 97 8.791 4.050 8.512 1.00 0.00 H new ATOM 0 HA ASP A 97 9.346 1.566 7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.961 2.890 10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.407 1.213 9.788 1.00 0.00 H new ATOM 1505 N ALA A 98 7.296 1.389 9.995 1.00 0.00 N ATOM 1506 CA ALA A 98 6.329 0.528 10.687 1.00 0.00 C ATOM 1507 C ALA A 98 5.307 -0.094 9.718 1.00 0.00 C ATOM 1508 O ALA A 98 5.147 -1.315 9.674 1.00 0.00 O ATOM 1509 CB ALA A 98 5.609 1.317 11.772 1.00 0.00 C ATOM 0 H ALA A 98 7.366 2.331 10.379 1.00 0.00 H new ATOM 0 HA ALA A 98 6.888 -0.291 11.141 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.894 0.669 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.336 1.690 12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.081 2.157 11.321 1.00 0.00 H new ATOM 1515 N ILE A 99 4.626 0.748 8.935 1.00 0.00 N ATOM 1516 CA ILE A 99 3.615 0.263 7.982 1.00 0.00 C ATOM 1517 C ILE A 99 4.242 -0.658 6.915 1.00 0.00 C ATOM 1518 O ILE A 99 3.614 -1.615 6.455 1.00 0.00 O ATOM 1519 CB ILE A 99 2.862 1.440 7.298 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.678 0.920 6.460 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.808 2.270 6.429 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.853 2.021 5.826 1.00 0.00 C ATOM 0 H ILE A 99 4.752 1.760 8.939 1.00 0.00 H new ATOM 0 HA ILE A 99 2.892 -0.317 8.556 1.00 0.00 H new ATOM 0 HB ILE A 99 2.471 2.085 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.059 0.265 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.032 0.314 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.254 3.085 5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.605 2.680 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.240 1.637 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.038 1.580 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.442 2.663 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.484 2.613 5.164 1.00 0.00 H new ATOM 1534 N CYS A 100 5.492 -0.376 6.540 1.00 0.00 N ATOM 1535 CA CYS A 100 6.227 -1.229 5.594 1.00 0.00 C ATOM 1536 C CYS A 100 6.558 -2.592 6.221 1.00 0.00 C ATOM 1537 O CYS A 100 6.499 -3.629 5.553 1.00 0.00 O ATOM 1538 CB CYS A 100 7.522 -0.539 5.139 1.00 0.00 C ATOM 1539 SG CYS A 100 7.268 0.970 4.173 1.00 0.00 S ATOM 0 H CYS A 100 6.017 0.432 6.874 1.00 0.00 H new ATOM 0 HA CYS A 100 5.586 -1.392 4.728 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.118 -0.296 6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.104 -1.243 4.544 1.00 0.00 H new ATOM 0 HG CYS A 100 7.023 1.963 4.976 1.00 0.00 H new ATOM 1545 N GLN A 101 6.897 -2.579 7.512 1.00 0.00 N ATOM 1546 CA GLN A 101 7.220 -3.807 8.254 1.00 0.00 C ATOM 1547 C GLN A 101 5.988 -4.708 8.425 1.00 0.00 C ATOM 1548 O GLN A 101 6.112 -5.934 8.485 1.00 0.00 O ATOM 1549 CB GLN A 101 7.805 -3.459 9.631 1.00 0.00 C ATOM 1550 CG GLN A 101 9.182 -2.807 9.569 1.00 0.00 C ATOM 1551 CD GLN A 101 9.668 -2.333 10.930 1.00 0.00 C ATOM 1552 OE1 GLN A 101 9.435 -1.196 11.326 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.337 -3.197 11.664 1.00 0.00 N ATOM 0 H GLN A 101 6.956 -1.728 8.071 1.00 0.00 H new ATOM 0 HA GLN A 101 7.961 -4.356 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.119 -2.788 10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.871 -4.369 10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 101 9.899 -3.519 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.148 -1.959 8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.516 -4.136 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.676 -2.927 12.587 1.00 0.00 H new ATOM 1562 N LEU A 102 4.805 -4.097 8.514 1.00 0.00 N ATOM 1563 CA LEU A 102 3.548 -4.850 8.605 1.00 0.00 C ATOM 1564 C LEU A 102 3.347 -5.725 7.362 1.00 0.00 C ATOM 1565 O LEU A 102 2.822 -6.837 7.441 1.00 0.00 O ATOM 1566 CB LEU A 102 2.353 -3.895 8.767 1.00 0.00 C ATOM 1567 CG LEU A 102 2.354 -3.036 10.042 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.141 -2.107 10.061 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.378 -3.916 11.290 1.00 0.00 C ATOM 0 H LEU A 102 4.689 -3.084 8.525 1.00 0.00 H new ATOM 0 HA LEU A 102 3.607 -5.494 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.323 -3.231 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.436 -4.484 8.748 1.00 0.00 H new ATOM 0 HG LEU A 102 3.257 -2.425 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.157 -1.506 10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.172 -1.450 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.227 -2.701 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.378 -3.286 12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.497 -4.557 11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.276 -4.534 11.283 1.00 0.00 H new ATOM 1581 N VAL A 103 3.780 -5.212 6.212 1.00 0.00 N ATOM 1582 CA VAL A 103 3.683 -5.948 4.952 1.00 0.00 C ATOM 1583 C VAL A 103 4.922 -6.840 4.743 1.00 0.00 C ATOM 1584 O VAL A 103 4.867 -8.050 4.968 1.00 0.00 O ATOM 1585 CB VAL A 103 3.527 -4.981 3.749 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.204 -5.750 2.471 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.461 -3.922 4.034 1.00 0.00 C ATOM 0 H VAL A 103 4.202 -4.288 6.126 1.00 0.00 H new ATOM 0 HA VAL A 103 2.796 -6.579 5.009 1.00 0.00 H new ATOM 0 HB VAL A 103 4.478 -4.469 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.099 -5.050 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.010 -6.451 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.271 -6.299 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.371 -3.256 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.504 -4.410 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.748 -3.344 4.913 1.00 0.00 H new ATOM 1597 N ALA A 104 6.034 -6.219 4.321 1.00 0.00 N ATOM 1598 CA ALA A 104 7.327 -6.905 4.107 1.00 0.00 C ATOM 1599 C ALA A 104 7.207 -8.296 3.435 1.00 0.00 C ATOM 1600 O ALA A 104 8.080 -9.150 3.605 1.00 0.00 O ATOM 1601 CB ALA A 104 8.074 -7.010 5.436 1.00 0.00 C ATOM 0 H ALA A 104 6.066 -5.220 4.116 1.00 0.00 H new ATOM 0 HA ALA A 104 7.889 -6.294 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.027 -7.515 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.254 -6.011 5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.474 -7.579 6.146 1.00 0.00 H new ATOM 1607 N GLY A 105 6.148 -8.505 2.651 1.00 0.00 N ATOM 1608 CA GLY A 105 5.951 -9.783 1.964 1.00 0.00 C ATOM 1609 C GLY A 105 5.811 -10.976 2.909 1.00 0.00 C ATOM 1610 O GLY A 105 6.415 -12.025 2.689 1.00 0.00 O ATOM 0 H GLY A 105 5.419 -7.813 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.058 -9.717 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.793 -9.959 1.294 1.00 0.00 H new ATOM 1614 N LYS A 106 5.005 -10.823 3.957 1.00 0.00 N ATOM 1615 CA LYS A 106 4.839 -11.884 4.962 1.00 0.00 C ATOM 1616 C LYS A 106 4.053 -13.094 4.426 1.00 0.00 C ATOM 1617 O LYS A 106 4.402 -14.242 4.704 1.00 0.00 O ATOM 1618 CB LYS A 106 4.166 -11.332 6.230 1.00 0.00 C ATOM 1619 CG LYS A 106 2.778 -10.735 6.001 1.00 0.00 C ATOM 1620 CD LYS A 106 2.117 -10.348 7.322 1.00 0.00 C ATOM 1621 CE LYS A 106 0.691 -9.838 7.131 1.00 0.00 C ATOM 1622 NZ LYS A 106 -0.214 -10.883 6.586 1.00 0.00 N ATOM 0 H LYS A 106 4.457 -9.982 4.137 1.00 0.00 H new ATOM 0 HA LYS A 106 5.840 -12.237 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.086 -12.135 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.810 -10.567 6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.859 -9.856 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.152 -11.456 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.105 -11.212 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.713 -9.578 7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.302 -9.486 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.701 -8.982 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.200 -10.642 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.101 -10.936 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.024 -11.803 7.008 1.00 0.00 H new ATOM 1636 N GLU A 107 3.001 -12.833 3.654 1.00 0.00 N ATOM 1637 CA GLU A 107 2.144 -13.909 3.117 1.00 0.00 C ATOM 1638 C GLU A 107 1.182 -13.399 2.022 1.00 0.00 C ATOM 1639 O GLU A 107 -0.014 -13.695 2.046 1.00 0.00 O ATOM 1640 CB GLU A 107 1.340 -14.533 4.263 1.00 0.00 C ATOM 1641 CG GLU A 107 0.356 -13.564 4.904 1.00 0.00 C ATOM 1642 CD GLU A 107 -0.290 -14.110 6.167 1.00 0.00 C ATOM 1643 OE1 GLU A 107 -1.103 -15.054 6.071 1.00 0.00 O ATOM 1644 OE2 GLU A 107 0.007 -13.590 7.266 1.00 0.00 O ATOM 0 H GLU A 107 2.715 -11.892 3.382 1.00 0.00 H new ATOM 0 HA GLU A 107 2.793 -14.654 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.794 -15.398 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.029 -14.898 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.874 -12.635 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.423 -13.318 4.183 1.00 0.00 H new ATOM 1651 N PRO A 108 1.707 -12.675 1.014 1.00 0.00 N ATOM 1652 CA PRO A 108 0.886 -12.029 -0.033 1.00 0.00 C ATOM 1653 C PRO A 108 -0.252 -12.920 -0.562 1.00 0.00 C ATOM 1654 O PRO A 108 -0.014 -14.016 -1.079 1.00 0.00 O ATOM 1655 CB PRO A 108 1.920 -11.728 -1.119 1.00 0.00 C ATOM 1656 CG PRO A 108 3.159 -11.458 -0.340 1.00 0.00 C ATOM 1657 CD PRO A 108 3.147 -12.457 0.784 1.00 0.00 C ATOM 0 HA PRO A 108 0.358 -11.150 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.047 -12.570 -1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.630 -10.870 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 108 4.047 -11.575 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.169 -10.437 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.657 -13.380 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.644 -12.071 1.674 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.487 -12.426 -0.417 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.702 -13.203 -0.712 1.00 0.00 C ATOM 1667 C ALA A 109 -2.893 -14.328 0.320 1.00 0.00 C ATOM 1668 O ALA A 109 -3.822 -14.279 1.138 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.682 -13.758 -2.140 1.00 0.00 C ATOM 0 H ALA A 109 -1.675 -11.477 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.555 -12.528 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.594 -14.326 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.620 -12.933 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.818 -14.410 -2.265 1.00 0.00 H new