USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1009 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 144 HIS : no HE2:sc= -2.91! K(o=-4.5!,f=-2.7) USER MOD Set 1.2: A 148 CYS SG : rot 84:sc= -1.63! USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.62) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 35 GLN : amide:sc= -0.778 K(o=-2,f=-4.5!) USER MOD Set 3.2: A 117 GLN : amide:sc= -1.19! K(o=-2!,f=-1) USER MOD Single : A 11 CYS SG : rot 31:sc= -0.757 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= -2.62! USER MOD Single : A 64 THR OG1 : rot 90:sc= -5.47! USER MOD Single : A 65 GLN : amide:sc= -5.12! C(o=-5.1!,f=-6.7!) USER MOD Single : A 74 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.25) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -6.59! (180deg=-8.32!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -75:sc= 0.972 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 116 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-0.74) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -3.13 USER MOD Single : A 129 GLN : amide:sc= -8.15! C(o=-8.1!,f=-11!) USER MOD Single : A 132 GLN : amide:sc= -8.2! C(o=-8.2!,f=-5.6!) USER MOD Single : A 134 LYS NZ :NH3+ 159:sc= -0.0537 (180deg=-0.483) USER MOD Single : A 136 MET CE :methyl 166:sc= -1.33 (180deg=-1.93) USER MOD Single : A 137 LYS NZ :NH3+ -163:sc= -1.65 (180deg=-2.4!) USER MOD Single : A 141 GLN : amide:sc= -5.82! K(o=-5.8!,f=-1.6) USER MOD Single : A 145 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.53) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.753 -7.998 5.273 1.00 0.00 N ATOM 87 CA LEU A 8 6.488 -8.389 4.600 1.00 0.00 C ATOM 88 C LEU A 8 5.826 -7.150 3.986 1.00 0.00 C ATOM 89 O LEU A 8 5.806 -6.087 4.575 1.00 0.00 O ATOM 90 CB LEU A 8 5.530 -9.019 5.623 1.00 0.00 C ATOM 91 CG LEU A 8 6.324 -9.776 6.699 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.083 -8.785 7.567 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.360 -10.555 7.588 1.00 0.00 C ATOM 0 HA LEU A 8 6.710 -9.112 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.922 -8.243 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.845 -9.701 5.119 1.00 0.00 H new ATOM 0 HG LEU A 8 7.022 -10.457 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.645 -9.325 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.771 -8.211 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.377 -8.108 8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.923 -11.092 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.667 -9.863 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.800 -11.267 6.981 1.00 0.00 H new ATOM 105 N ARG A 9 5.274 -7.285 2.813 1.00 0.00 N ATOM 106 CA ARG A 9 4.594 -6.127 2.164 1.00 0.00 C ATOM 107 C ARG A 9 3.150 -6.070 2.670 1.00 0.00 C ATOM 108 O ARG A 9 2.488 -7.079 2.786 1.00 0.00 O ATOM 109 CB ARG A 9 4.604 -6.310 0.646 1.00 0.00 C ATOM 110 CG ARG A 9 4.223 -4.993 -0.033 1.00 0.00 C ATOM 111 CD ARG A 9 4.148 -5.200 -1.549 1.00 0.00 C ATOM 112 NE ARG A 9 5.494 -5.570 -2.070 1.00 0.00 N ATOM 113 CZ ARG A 9 5.775 -5.394 -3.330 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.888 -4.868 -4.129 1.00 0.00 N ATOM 115 NH2 ARG A 9 6.945 -5.740 -3.792 1.00 0.00 N ATOM 0 H ARG A 9 5.264 -8.150 2.273 1.00 0.00 H new ATOM 0 HA ARG A 9 5.113 -5.200 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.592 -6.629 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.903 -7.094 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.262 -4.642 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.959 -4.224 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.428 -5.984 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.797 -4.289 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 9 6.195 -5.961 -1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.974 -4.594 -3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.108 -4.730 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.640 -6.148 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.165 -5.602 -4.778 1.00 0.00 H new ATOM 129 N ALA A 10 2.656 -4.904 2.983 1.00 0.00 N ATOM 130 CA ALA A 10 1.256 -4.818 3.494 1.00 0.00 C ATOM 131 C ALA A 10 0.583 -3.548 2.985 1.00 0.00 C ATOM 132 O ALA A 10 1.234 -2.582 2.639 1.00 0.00 O ATOM 133 CB ALA A 10 1.268 -4.776 5.019 1.00 0.00 C ATOM 0 H ALA A 10 3.153 -4.016 2.909 1.00 0.00 H new ATOM 0 HA ALA A 10 0.707 -5.692 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.245 -4.713 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.738 -5.681 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.829 -3.904 5.355 1.00 0.00 H new ATOM 139 N CYS A 11 -0.719 -3.542 2.952 1.00 0.00 N ATOM 140 CA CYS A 11 -1.445 -2.331 2.486 1.00 0.00 C ATOM 141 C CYS A 11 -2.771 -2.222 3.238 1.00 0.00 C ATOM 142 O CYS A 11 -3.589 -3.123 3.213 1.00 0.00 O ATOM 143 CB CYS A 11 -1.711 -2.445 0.983 1.00 0.00 C ATOM 144 SG CYS A 11 -0.367 -1.647 0.069 1.00 0.00 S ATOM 0 H CYS A 11 -1.312 -4.325 3.228 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.844 -1.442 2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.788 -3.493 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.663 -1.975 0.735 1.00 0.00 H new ATOM 0 HG CYS A 11 0.738 -1.749 0.745 1.00 0.00 H new ATOM 150 N GLY A 12 -2.996 -1.120 3.902 1.00 0.00 N ATOM 151 CA GLY A 12 -4.271 -0.934 4.655 1.00 0.00 C ATOM 152 C GLY A 12 -4.961 0.331 4.144 1.00 0.00 C ATOM 153 O GLY A 12 -4.424 1.034 3.310 1.00 0.00 O ATOM 0 H GLY A 12 -2.347 -0.335 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.920 -1.799 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.070 -0.850 5.723 1.00 0.00 H new ATOM 157 N LEU A 13 -6.147 0.634 4.613 1.00 0.00 N ATOM 158 CA LEU A 13 -6.829 1.861 4.106 1.00 0.00 C ATOM 159 C LEU A 13 -7.183 2.816 5.244 1.00 0.00 C ATOM 160 O LEU A 13 -8.002 2.512 6.088 1.00 0.00 O ATOM 161 CB LEU A 13 -8.137 1.476 3.395 1.00 0.00 C ATOM 162 CG LEU A 13 -8.056 1.826 1.901 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.439 1.712 1.254 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.555 3.260 1.730 1.00 0.00 C ATOM 0 H LEU A 13 -6.662 0.096 5.310 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.140 2.354 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.324 0.409 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.976 2.000 3.853 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.368 1.130 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.367 1.963 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.808 0.692 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.128 2.400 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.500 3.502 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.243 3.947 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.565 3.355 2.176 1.00 0.00 H new ATOM 176 N ILE A 14 -6.633 4.001 5.233 1.00 0.00 N ATOM 177 CA ILE A 14 -7.021 4.985 6.272 1.00 0.00 C ATOM 178 C ILE A 14 -8.284 5.660 5.757 1.00 0.00 C ATOM 179 O ILE A 14 -8.270 6.412 4.805 1.00 0.00 O ATOM 180 CB ILE A 14 -5.908 6.009 6.507 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.724 5.310 7.181 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.426 7.128 7.414 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.579 6.303 7.384 1.00 0.00 C ATOM 0 H ILE A 14 -5.941 4.323 4.557 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.193 4.498 7.232 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.592 6.436 5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.033 4.897 8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.387 4.474 6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.633 7.857 7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.275 7.618 6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.739 6.707 8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.741 5.798 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.262 6.695 6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.918 7.125 8.015 1.00 0.00 H new ATOM 195 N ILE A 15 -9.385 5.332 6.350 1.00 0.00 N ATOM 196 CA ILE A 15 -10.689 5.869 5.888 1.00 0.00 C ATOM 197 C ILE A 15 -11.101 7.066 6.732 1.00 0.00 C ATOM 198 O ILE A 15 -10.956 7.069 7.936 1.00 0.00 O ATOM 199 CB ILE A 15 -11.698 4.737 6.036 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.290 3.602 5.099 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.112 5.207 5.708 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.002 2.310 5.501 1.00 0.00 C ATOM 0 H ILE A 15 -9.442 4.703 7.151 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.631 6.210 4.854 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.701 4.393 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.541 3.860 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.210 3.459 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.808 4.376 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.394 6.013 6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.146 5.569 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.705 1.506 4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.729 2.047 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.081 2.455 5.440 1.00 0.00 H new ATOM 214 N PHE A 16 -11.613 8.088 6.101 1.00 0.00 N ATOM 215 CA PHE A 16 -12.031 9.288 6.861 1.00 0.00 C ATOM 216 C PHE A 16 -13.365 9.815 6.326 1.00 0.00 C ATOM 217 O PHE A 16 -13.486 10.175 5.174 1.00 0.00 O ATOM 218 CB PHE A 16 -10.963 10.368 6.701 1.00 0.00 C ATOM 219 CG PHE A 16 -10.943 10.842 5.268 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.151 10.177 4.323 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.717 11.944 4.881 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.131 10.616 2.991 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.698 12.380 3.551 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.908 11.719 2.608 1.00 0.00 C ATOM 0 H PHE A 16 -11.758 8.139 5.093 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.151 9.026 7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.171 11.203 7.369 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.986 9.973 6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.556 9.326 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.328 12.457 5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.519 10.106 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.295 13.229 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.895 12.058 1.583 1.00 0.00 H new ATOM 234 N ARG A 17 -14.359 9.893 7.166 1.00 0.00 N ATOM 235 CA ARG A 17 -15.674 10.427 6.718 1.00 0.00 C ATOM 236 C ARG A 17 -15.612 11.954 6.777 1.00 0.00 C ATOM 237 O ARG A 17 -15.372 12.527 7.820 1.00 0.00 O ATOM 238 CB ARG A 17 -16.770 9.931 7.669 1.00 0.00 C ATOM 239 CG ARG A 17 -18.140 10.449 7.217 1.00 0.00 C ATOM 240 CD ARG A 17 -18.685 9.576 6.085 1.00 0.00 C ATOM 241 NE ARG A 17 -20.009 10.105 5.648 1.00 0.00 N ATOM 242 CZ ARG A 17 -20.078 11.245 5.017 1.00 0.00 C ATOM 243 NH1 ARG A 17 -18.984 11.901 4.739 1.00 0.00 N ATOM 244 NH2 ARG A 17 -21.236 11.726 4.657 1.00 0.00 N ATOM 0 H ARG A 17 -14.317 9.609 8.145 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.895 10.093 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.775 8.841 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.562 10.271 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.835 10.444 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.054 11.482 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.988 9.571 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.786 8.544 6.422 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.859 9.576 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.078 11.522 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.035 12.792 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -22.090 11.211 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.287 12.617 4.164 1.00 0.00 H new ATOM 258 N ARG A 18 -15.814 12.623 5.676 1.00 0.00 N ATOM 259 CA ARG A 18 -15.749 14.110 5.708 1.00 0.00 C ATOM 260 C ARG A 18 -17.153 14.694 5.892 1.00 0.00 C ATOM 261 O ARG A 18 -18.098 14.278 5.252 1.00 0.00 O ATOM 262 CB ARG A 18 -15.140 14.632 4.406 1.00 0.00 C ATOM 263 CG ARG A 18 -14.829 16.120 4.559 1.00 0.00 C ATOM 264 CD ARG A 18 -14.040 16.616 3.341 1.00 0.00 C ATOM 265 NE ARG A 18 -14.930 16.657 2.147 1.00 0.00 N ATOM 266 CZ ARG A 18 -15.588 17.745 1.859 1.00 0.00 C ATOM 267 NH1 ARG A 18 -15.522 18.782 2.650 1.00 0.00 N ATOM 268 NH2 ARG A 18 -16.329 17.795 0.785 1.00 0.00 N ATOM 0 H ARG A 18 -16.019 12.210 4.766 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.123 14.417 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.230 14.080 4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.832 14.476 3.578 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.755 16.686 4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.254 16.289 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.635 17.608 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.192 15.957 3.152 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.025 15.833 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.954 18.742 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.038 19.632 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.393 16.983 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.844 18.646 0.560 1.00 0.00 H new ATOM 434 N ILE A 29 -13.759 15.709 10.828 1.00 0.00 N ATOM 435 CA ILE A 29 -13.443 14.441 10.111 1.00 0.00 C ATOM 436 C ILE A 29 -13.302 13.279 11.092 1.00 0.00 C ATOM 437 O ILE A 29 -12.698 13.396 12.138 1.00 0.00 O ATOM 438 CB ILE A 29 -12.139 14.613 9.334 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.406 15.485 8.107 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.617 13.247 8.890 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.127 16.227 7.714 1.00 0.00 C ATOM 0 HA ILE A 29 -14.261 14.216 9.426 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.392 15.087 9.970 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.749 14.867 7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.201 16.199 8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.687 13.375 8.336 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.435 12.625 9.766 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.357 12.765 8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.321 16.848 6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.803 16.858 8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.345 15.505 7.481 1.00 0.00 H new ATOM 453 N GLU A 30 -13.847 12.151 10.737 1.00 0.00 N ATOM 454 CA GLU A 30 -13.747 10.952 11.612 1.00 0.00 C ATOM 455 C GLU A 30 -13.096 9.830 10.808 1.00 0.00 C ATOM 456 O GLU A 30 -13.147 9.824 9.596 1.00 0.00 O ATOM 457 CB GLU A 30 -15.145 10.522 12.061 1.00 0.00 C ATOM 458 CG GLU A 30 -15.794 11.657 12.855 1.00 0.00 C ATOM 459 CD GLU A 30 -17.162 11.207 13.369 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.611 10.149 12.955 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.741 11.927 14.163 1.00 0.00 O ATOM 0 H GLU A 30 -14.363 12.007 9.869 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.151 11.178 12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.757 10.273 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.082 9.624 12.675 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.155 11.941 13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.904 12.539 12.224 1.00 0.00 H new ATOM 469 N PHE A 31 -12.473 8.888 11.464 1.00 0.00 N ATOM 470 CA PHE A 31 -11.808 7.784 10.713 1.00 0.00 C ATOM 471 C PHE A 31 -12.438 6.437 11.071 1.00 0.00 C ATOM 472 O PHE A 31 -12.959 6.249 12.153 1.00 0.00 O ATOM 473 CB PHE A 31 -10.318 7.748 11.077 1.00 0.00 C ATOM 474 CG PHE A 31 -9.654 9.048 10.681 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.229 9.246 9.362 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.451 10.053 11.638 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.606 10.447 8.998 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.828 11.253 11.271 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.406 11.448 9.953 1.00 0.00 C ATOM 0 H PHE A 31 -12.396 8.835 12.480 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.932 7.964 9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.201 7.583 12.148 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.832 6.914 10.571 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.381 8.472 8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.775 9.902 12.657 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.280 10.599 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.674 12.028 12.007 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.925 12.373 9.672 1.00 0.00 H new ATOM 489 N LEU A 32 -12.368 5.485 10.174 1.00 0.00 N ATOM 490 CA LEU A 32 -12.933 4.138 10.472 1.00 0.00 C ATOM 491 C LEU A 32 -11.882 3.339 11.234 1.00 0.00 C ATOM 492 O LEU A 32 -10.744 3.244 10.823 1.00 0.00 O ATOM 493 CB LEU A 32 -13.277 3.402 9.170 1.00 0.00 C ATOM 494 CG LEU A 32 -13.693 1.960 9.491 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.887 1.962 10.444 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.080 1.240 8.198 1.00 0.00 C ATOM 0 H LEU A 32 -11.945 5.584 9.251 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.843 4.246 11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.085 3.918 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.416 3.403 8.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.856 1.445 9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.176 0.935 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.614 2.471 11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.724 2.482 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.375 0.216 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.913 1.761 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.228 1.229 7.519 1.00 0.00 H new ATOM 508 N LEU A 33 -12.248 2.773 12.343 1.00 0.00 N ATOM 509 CA LEU A 33 -11.263 1.987 13.136 1.00 0.00 C ATOM 510 C LEU A 33 -11.860 0.629 13.496 1.00 0.00 C ATOM 511 O LEU A 33 -12.988 0.535 13.935 1.00 0.00 O ATOM 512 CB LEU A 33 -10.920 2.755 14.411 1.00 0.00 C ATOM 513 CG LEU A 33 -9.707 3.651 14.151 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.568 4.662 15.288 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.439 2.793 14.073 1.00 0.00 C ATOM 0 H LEU A 33 -13.187 2.819 12.738 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.358 1.833 12.548 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.771 3.358 14.726 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.705 2.059 15.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.844 4.179 13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.704 5.301 15.103 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.468 5.275 15.342 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.433 4.133 16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.577 3.434 13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.301 2.262 15.015 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.537 2.072 13.261 1.00 0.00 H new ATOM 527 N LEU A 34 -11.115 -0.422 13.310 1.00 0.00 N ATOM 528 CA LEU A 34 -11.640 -1.776 13.635 1.00 0.00 C ATOM 529 C LEU A 34 -10.995 -2.279 14.928 1.00 0.00 C ATOM 530 O LEU A 34 -9.827 -2.055 15.184 1.00 0.00 O ATOM 531 CB LEU A 34 -11.326 -2.725 12.479 1.00 0.00 C ATOM 532 CG LEU A 34 -11.849 -2.102 11.181 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.549 -3.024 9.998 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.358 -1.903 11.294 1.00 0.00 C ATOM 0 H LEU A 34 -10.162 -0.402 12.946 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.720 -1.732 13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.252 -2.896 12.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.793 -3.695 12.648 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.357 -1.143 11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.925 -2.572 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.472 -3.171 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.036 -3.987 10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.737 -1.460 10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.841 -2.866 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.576 -1.241 12.132 1.00 0.00 H new ATOM 546 N GLN A 35 -11.758 -2.944 15.749 1.00 0.00 N ATOM 547 CA GLN A 35 -11.212 -3.453 17.040 1.00 0.00 C ATOM 548 C GLN A 35 -10.831 -4.923 16.891 1.00 0.00 C ATOM 549 O GLN A 35 -11.634 -5.741 16.492 1.00 0.00 O ATOM 550 CB GLN A 35 -12.283 -3.322 18.124 1.00 0.00 C ATOM 551 CG GLN A 35 -11.682 -3.660 19.487 1.00 0.00 C ATOM 552 CD GLN A 35 -12.751 -3.473 20.568 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.834 -3.001 20.288 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.494 -3.831 21.795 1.00 0.00 N ATOM 0 H GLN A 35 -12.741 -3.158 15.582 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.330 -2.874 17.315 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.682 -2.308 18.133 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.116 -3.990 17.908 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.318 -4.687 19.493 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.826 -3.017 19.690 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.584 -4.228 22.031 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.203 -3.715 22.519 1.00 0.00 H new ATOM 641 N HIS A 42 -6.295 -3.604 20.293 1.00 0.00 N ATOM 642 CA HIS A 42 -5.827 -2.318 19.709 1.00 0.00 C ATOM 643 C HIS A 42 -6.701 -1.974 18.504 1.00 0.00 C ATOM 644 O HIS A 42 -7.269 -2.843 17.872 1.00 0.00 O ATOM 645 CB HIS A 42 -4.370 -2.460 19.262 1.00 0.00 C ATOM 646 CG HIS A 42 -4.210 -3.720 18.458 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.973 -4.952 19.051 1.00 0.00 N ATOM 648 CD2 HIS A 42 -4.251 -3.956 17.106 1.00 0.00 C ATOM 649 CE1 HIS A 42 -3.881 -5.865 18.067 1.00 0.00 C ATOM 650 NE2 HIS A 42 -4.041 -5.310 16.867 1.00 0.00 N ATOM 0 HA HIS A 42 -5.898 -1.526 20.454 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.076 -1.596 18.666 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.713 -2.485 20.131 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.420 -3.207 16.347 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.700 -6.917 18.230 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.015 -5.780 15.962 1.00 0.00 H new ATOM 659 N TRP A 43 -6.822 -0.718 18.183 1.00 0.00 N ATOM 660 CA TRP A 43 -7.673 -0.336 17.021 1.00 0.00 C ATOM 661 C TRP A 43 -6.789 -0.005 15.825 1.00 0.00 C ATOM 662 O TRP A 43 -5.825 0.728 15.933 1.00 0.00 O ATOM 663 CB TRP A 43 -8.502 0.895 17.381 1.00 0.00 C ATOM 664 CG TRP A 43 -9.359 0.588 18.564 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.914 0.482 19.835 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.795 0.344 18.610 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.985 0.190 20.659 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.166 0.092 19.952 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.801 0.320 17.627 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.487 -0.177 20.306 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.131 0.048 17.982 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.473 -0.199 19.319 1.00 0.00 C ATOM 0 H TRP A 43 -6.372 0.057 18.670 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.332 -1.167 16.771 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.846 1.737 17.602 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.123 1.189 16.535 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.890 0.605 20.155 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.911 0.062 21.668 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.549 0.512 16.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.746 -0.367 21.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.896 0.029 17.220 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.499 -0.406 19.585 1.00 0.00 H new ATOM 683 N THR A 44 -7.113 -0.530 14.679 1.00 0.00 N ATOM 684 CA THR A 44 -6.296 -0.234 13.475 1.00 0.00 C ATOM 685 C THR A 44 -7.174 -0.371 12.233 1.00 0.00 C ATOM 686 O THR A 44 -8.107 -1.148 12.206 1.00 0.00 O ATOM 687 CB THR A 44 -5.125 -1.216 13.387 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.569 -2.515 13.748 1.00 0.00 O ATOM 689 CG2 THR A 44 -4.015 -0.775 14.338 1.00 0.00 C ATOM 0 H THR A 44 -7.908 -1.151 14.525 1.00 0.00 H new ATOM 0 HA THR A 44 -5.903 0.781 13.540 1.00 0.00 H new ATOM 0 HB THR A 44 -4.742 -1.233 12.367 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.820 -3.144 13.690 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.182 -1.475 14.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.673 0.222 14.061 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.396 -0.757 15.359 1.00 0.00 H new ATOM 697 N PRO A 45 -6.867 0.373 11.209 1.00 0.00 N ATOM 698 CA PRO A 45 -7.636 0.340 9.933 1.00 0.00 C ATOM 699 C PRO A 45 -7.485 -1.010 9.219 1.00 0.00 C ATOM 700 O PRO A 45 -6.587 -1.772 9.510 1.00 0.00 O ATOM 701 CB PRO A 45 -7.019 1.469 9.103 1.00 0.00 C ATOM 702 CG PRO A 45 -5.658 1.682 9.677 1.00 0.00 C ATOM 703 CD PRO A 45 -5.760 1.335 11.158 1.00 0.00 C ATOM 0 HA PRO A 45 -8.707 0.466 10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.963 1.197 8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.619 2.377 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.923 1.050 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.336 2.714 9.541 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.833 0.901 11.533 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.967 2.217 11.764 1.00 0.00 H new ATOM 711 N PRO A 46 -8.359 -1.307 8.297 1.00 0.00 N ATOM 712 CA PRO A 46 -8.325 -2.591 7.541 1.00 0.00 C ATOM 713 C PRO A 46 -6.914 -2.939 7.051 1.00 0.00 C ATOM 714 O PRO A 46 -6.465 -2.455 6.033 1.00 0.00 O ATOM 715 CB PRO A 46 -9.257 -2.339 6.354 1.00 0.00 C ATOM 716 CG PRO A 46 -10.202 -1.273 6.807 1.00 0.00 C ATOM 717 CD PRO A 46 -9.479 -0.450 7.876 1.00 0.00 C ATOM 0 HA PRO A 46 -8.629 -3.434 8.161 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.696 -2.019 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.793 -3.247 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.498 -0.641 5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.113 -1.714 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.125 0.500 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.138 -0.217 8.712 1.00 0.00 H new ATOM 725 N LYS A 47 -6.215 -3.776 7.772 1.00 0.00 N ATOM 726 CA LYS A 47 -4.835 -4.158 7.347 1.00 0.00 C ATOM 727 C LYS A 47 -4.869 -5.503 6.626 1.00 0.00 C ATOM 728 O LYS A 47 -5.454 -6.457 7.097 1.00 0.00 O ATOM 729 CB LYS A 47 -3.925 -4.277 8.570 1.00 0.00 C ATOM 730 CG LYS A 47 -3.744 -2.902 9.219 1.00 0.00 C ATOM 731 CD LYS A 47 -2.569 -2.950 10.201 1.00 0.00 C ATOM 732 CE LYS A 47 -2.911 -3.871 11.371 1.00 0.00 C ATOM 733 NZ LYS A 47 -2.072 -5.102 11.298 1.00 0.00 N ATOM 0 H LYS A 47 -6.539 -4.211 8.636 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.451 -3.389 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.356 -4.974 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.956 -4.681 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.561 -2.148 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.656 -2.612 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.673 -3.308 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.348 -1.948 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.738 -3.356 12.316 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.968 -4.136 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.305 -5.729 12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.258 -5.597 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.067 -4.840 11.346 1.00 0.00 H new ATOM 747 N GLY A 48 -4.235 -5.586 5.492 1.00 0.00 N ATOM 748 CA GLY A 48 -4.213 -6.871 4.738 1.00 0.00 C ATOM 749 C GLY A 48 -2.832 -7.052 4.107 1.00 0.00 C ATOM 750 O GLY A 48 -2.011 -6.158 4.130 1.00 0.00 O ATOM 0 H GLY A 48 -3.729 -4.817 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.434 -7.704 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.983 -6.868 3.966 1.00 0.00 H new ATOM 754 N HIS A 49 -2.569 -8.197 3.542 1.00 0.00 N ATOM 755 CA HIS A 49 -1.239 -8.425 2.913 1.00 0.00 C ATOM 756 C HIS A 49 -1.403 -8.423 1.390 1.00 0.00 C ATOM 757 O HIS A 49 -2.309 -9.031 0.856 1.00 0.00 O ATOM 758 CB HIS A 49 -0.681 -9.774 3.374 1.00 0.00 C ATOM 759 CG HIS A 49 -0.489 -9.762 4.868 1.00 0.00 C ATOM 760 ND1 HIS A 49 -0.340 -10.930 5.606 1.00 0.00 N ATOM 761 CD2 HIS A 49 -0.409 -8.734 5.776 1.00 0.00 C ATOM 762 CE1 HIS A 49 -0.183 -10.578 6.894 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.218 -9.255 7.051 1.00 0.00 N ATOM 0 H HIS A 49 -3.216 -8.983 3.489 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.548 -7.635 3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.363 -10.576 3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.268 -9.974 2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.483 -7.684 5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.045 -11.281 7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.124 -8.734 7.923 1.00 0.00 H new ATOM 772 N VAL A 50 -0.538 -7.740 0.685 1.00 0.00 N ATOM 773 CA VAL A 50 -0.658 -7.698 -0.801 1.00 0.00 C ATOM 774 C VAL A 50 0.034 -8.915 -1.412 1.00 0.00 C ATOM 775 O VAL A 50 1.106 -9.310 -0.999 1.00 0.00 O ATOM 776 CB VAL A 50 -0.019 -6.415 -1.344 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.814 -5.749 -0.255 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.876 -6.746 -2.544 1.00 0.00 C ATOM 0 H VAL A 50 0.243 -7.212 1.074 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.714 -7.712 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.808 -5.733 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.265 -4.838 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.174 -5.501 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.599 -6.431 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.327 -5.830 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.661 -7.435 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.277 -7.209 -3.328 1.00 0.00 H new ATOM 788 N GLU A 51 -0.581 -9.500 -2.399 1.00 0.00 N ATOM 789 CA GLU A 51 0.008 -10.688 -3.070 1.00 0.00 C ATOM 790 C GLU A 51 1.180 -10.229 -3.953 1.00 0.00 C ATOM 791 O GLU A 51 1.572 -9.080 -3.910 1.00 0.00 O ATOM 792 CB GLU A 51 -1.086 -11.342 -3.922 1.00 0.00 C ATOM 793 CG GLU A 51 -1.285 -12.810 -3.518 1.00 0.00 C ATOM 794 CD GLU A 51 -2.391 -12.901 -2.469 1.00 0.00 C ATOM 795 OE1 GLU A 51 -3.314 -13.672 -2.676 1.00 0.00 O ATOM 796 OE2 GLU A 51 -2.297 -12.199 -1.475 1.00 0.00 O ATOM 0 H GLU A 51 -1.481 -9.200 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 51 0.381 -11.408 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.022 -10.797 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.816 -11.283 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.547 -13.407 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.356 -13.218 -3.120 1.00 0.00 H new ATOM 804 N PRO A 52 1.744 -11.113 -4.740 1.00 0.00 N ATOM 805 CA PRO A 52 2.894 -10.778 -5.629 1.00 0.00 C ATOM 806 C PRO A 52 2.454 -9.994 -6.867 1.00 0.00 C ATOM 807 O PRO A 52 2.763 -8.828 -7.016 1.00 0.00 O ATOM 808 CB PRO A 52 3.441 -12.148 -6.029 1.00 0.00 C ATOM 809 CG PRO A 52 2.277 -13.075 -5.948 1.00 0.00 C ATOM 810 CD PRO A 52 1.354 -12.527 -4.869 1.00 0.00 C ATOM 0 HA PRO A 52 3.627 -10.142 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.857 -12.127 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.242 -12.463 -5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.761 -13.132 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.604 -14.085 -5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.307 -12.626 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.481 -13.062 -3.928 1.00 0.00 H new ATOM 818 N GLY A 53 1.724 -10.615 -7.749 1.00 0.00 N ATOM 819 CA GLY A 53 1.255 -9.894 -8.961 1.00 0.00 C ATOM 820 C GLY A 53 0.037 -9.051 -8.590 1.00 0.00 C ATOM 821 O GLY A 53 -0.686 -8.576 -9.440 1.00 0.00 O ATOM 0 H GLY A 53 1.432 -11.590 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.049 -9.258 -9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.998 -10.604 -9.747 1.00 0.00 H new ATOM 825 N GLU A 54 -0.200 -8.876 -7.315 1.00 0.00 N ATOM 826 CA GLU A 54 -1.376 -8.075 -6.866 1.00 0.00 C ATOM 827 C GLU A 54 -1.010 -6.595 -6.799 1.00 0.00 C ATOM 828 O GLU A 54 0.122 -6.236 -6.544 1.00 0.00 O ATOM 829 CB GLU A 54 -1.804 -8.527 -5.472 1.00 0.00 C ATOM 830 CG GLU A 54 -3.099 -7.814 -5.092 1.00 0.00 C ATOM 831 CD GLU A 54 -3.481 -8.152 -3.651 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.531 -7.703 -3.220 1.00 0.00 O ATOM 833 OE2 GLU A 54 -2.718 -8.848 -3.003 1.00 0.00 O ATOM 0 H GLU A 54 0.374 -9.256 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.188 -8.224 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.950 -9.607 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.023 -8.300 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.975 -6.736 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.900 -8.113 -5.768 1.00 0.00 H new ATOM 841 N ASP A 55 -1.965 -5.732 -7.008 1.00 0.00 N ATOM 842 CA ASP A 55 -1.667 -4.277 -6.939 1.00 0.00 C ATOM 843 C ASP A 55 -1.512 -3.851 -5.485 1.00 0.00 C ATOM 844 O ASP A 55 -1.933 -4.528 -4.567 1.00 0.00 O ATOM 845 CB ASP A 55 -2.799 -3.464 -7.559 1.00 0.00 C ATOM 846 CG ASP A 55 -2.336 -2.015 -7.727 1.00 0.00 C ATOM 847 OD1 ASP A 55 -3.116 -1.215 -8.220 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.212 -1.726 -7.355 1.00 0.00 O ATOM 0 H ASP A 55 -2.933 -5.971 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.744 -4.095 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.079 -3.884 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.684 -3.505 -6.924 1.00 0.00 H new ATOM 854 N ASP A 56 -0.906 -2.723 -5.283 1.00 0.00 N ATOM 855 CA ASP A 56 -0.702 -2.213 -3.903 1.00 0.00 C ATOM 856 C ASP A 56 -2.010 -1.639 -3.343 1.00 0.00 C ATOM 857 O ASP A 56 -2.518 -2.106 -2.341 1.00 0.00 O ATOM 858 CB ASP A 56 0.360 -1.112 -3.941 1.00 0.00 C ATOM 859 CG ASP A 56 -0.157 0.076 -4.756 1.00 0.00 C ATOM 860 OD1 ASP A 56 0.292 1.181 -4.506 1.00 0.00 O ATOM 861 OD2 ASP A 56 -0.992 -0.139 -5.621 1.00 0.00 O ATOM 0 H ASP A 56 -0.538 -2.124 -6.022 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.379 -3.032 -3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.602 -0.792 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.280 -1.496 -4.383 1.00 0.00 H new ATOM 867 N LEU A 57 -2.558 -0.628 -3.968 1.00 0.00 N ATOM 868 CA LEU A 57 -3.822 -0.027 -3.448 1.00 0.00 C ATOM 869 C LEU A 57 -4.939 -1.067 -3.449 1.00 0.00 C ATOM 870 O LEU A 57 -5.687 -1.189 -2.499 1.00 0.00 O ATOM 871 CB LEU A 57 -4.230 1.160 -4.329 1.00 0.00 C ATOM 872 CG LEU A 57 -5.547 1.756 -3.816 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.385 2.224 -2.369 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.939 2.950 -4.687 1.00 0.00 C ATOM 0 H LEU A 57 -2.186 -0.194 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.655 0.316 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.448 1.919 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.345 0.835 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.322 0.991 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.326 2.645 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.108 1.377 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.605 2.984 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.875 3.374 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.156 3.707 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.066 2.622 -5.719 1.00 0.00 H new ATOM 886 N GLU A 58 -5.056 -1.824 -4.502 1.00 0.00 N ATOM 887 CA GLU A 58 -6.129 -2.850 -4.560 1.00 0.00 C ATOM 888 C GLU A 58 -6.050 -3.718 -3.306 1.00 0.00 C ATOM 889 O GLU A 58 -7.055 -4.062 -2.716 1.00 0.00 O ATOM 890 CB GLU A 58 -5.922 -3.720 -5.798 1.00 0.00 C ATOM 891 CG GLU A 58 -6.221 -2.902 -7.062 1.00 0.00 C ATOM 892 CD GLU A 58 -5.412 -1.600 -7.066 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.820 -0.681 -7.758 1.00 0.00 O ATOM 894 OE2 GLU A 58 -4.404 -1.541 -6.385 1.00 0.00 O ATOM 0 H GLU A 58 -4.455 -1.776 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.106 -2.369 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.897 -4.090 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.575 -4.592 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.979 -3.490 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.286 -2.675 -7.111 1.00 0.00 H new ATOM 902 N THR A 59 -4.867 -4.053 -2.873 1.00 0.00 N ATOM 903 CA THR A 59 -4.753 -4.870 -1.638 1.00 0.00 C ATOM 904 C THR A 59 -5.435 -4.105 -0.508 1.00 0.00 C ATOM 905 O THR A 59 -6.156 -4.670 0.289 1.00 0.00 O ATOM 906 CB THR A 59 -3.280 -5.115 -1.310 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.697 -5.862 -2.367 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.163 -5.895 0.004 1.00 0.00 C ATOM 0 H THR A 59 -3.984 -3.799 -3.316 1.00 0.00 H new ATOM 0 HA THR A 59 -5.232 -5.840 -1.773 1.00 0.00 H new ATOM 0 HB THR A 59 -2.761 -4.163 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.481 -5.262 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.111 -6.067 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.621 -5.321 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.674 -6.853 -0.095 1.00 0.00 H new ATOM 916 N ALA A 60 -5.243 -2.813 -0.456 1.00 0.00 N ATOM 917 CA ALA A 60 -5.918 -2.011 0.599 1.00 0.00 C ATOM 918 C ALA A 60 -7.419 -2.019 0.309 1.00 0.00 C ATOM 919 O ALA A 60 -8.238 -2.185 1.192 1.00 0.00 O ATOM 920 CB ALA A 60 -5.390 -0.573 0.561 1.00 0.00 C ATOM 0 H ALA A 60 -4.651 -2.283 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.722 -2.432 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.884 0.016 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.314 -0.576 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.596 -0.136 -0.416 1.00 0.00 H new ATOM 926 N LEU A 61 -7.776 -1.862 -0.937 1.00 0.00 N ATOM 927 CA LEU A 61 -9.219 -1.882 -1.321 1.00 0.00 C ATOM 928 C LEU A 61 -9.821 -3.226 -0.928 1.00 0.00 C ATOM 929 O LEU A 61 -10.860 -3.305 -0.302 1.00 0.00 O ATOM 930 CB LEU A 61 -9.316 -1.743 -2.838 1.00 0.00 C ATOM 931 CG LEU A 61 -8.661 -0.442 -3.275 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.682 -0.364 -4.803 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.436 0.739 -2.688 1.00 0.00 C ATOM 0 H LEU A 61 -7.127 -1.720 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.749 -1.071 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.827 -2.588 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.361 -1.758 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.631 -0.407 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.214 0.566 -5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.133 -1.210 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.713 -0.393 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.968 1.673 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.466 0.712 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.428 0.675 -1.600 1.00 0.00 H new ATOM 945 N ARG A 62 -9.170 -4.285 -1.314 1.00 0.00 N ATOM 946 CA ARG A 62 -9.680 -5.644 -0.999 1.00 0.00 C ATOM 947 C ARG A 62 -9.796 -5.838 0.518 1.00 0.00 C ATOM 948 O ARG A 62 -10.763 -6.384 1.003 1.00 0.00 O ATOM 949 CB ARG A 62 -8.716 -6.683 -1.573 1.00 0.00 C ATOM 950 CG ARG A 62 -9.305 -8.083 -1.384 1.00 0.00 C ATOM 951 CD ARG A 62 -8.361 -9.125 -1.985 1.00 0.00 C ATOM 952 NE ARG A 62 -7.126 -9.208 -1.157 1.00 0.00 N ATOM 953 CZ ARG A 62 -6.029 -9.695 -1.666 1.00 0.00 C ATOM 954 NH1 ARG A 62 -6.024 -10.146 -2.893 1.00 0.00 N ATOM 955 NH2 ARG A 62 -4.940 -9.742 -0.949 1.00 0.00 N ATOM 0 H ARG A 62 -8.296 -4.266 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.669 -5.764 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.543 -6.489 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.749 -6.613 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.456 -8.284 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.282 -8.145 -1.863 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.852 -10.097 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.108 -8.854 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.138 -8.883 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.878 -10.117 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.167 -10.527 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.946 -9.397 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.082 -10.123 -1.348 1.00 0.00 H new ATOM 969 N ALA A 63 -8.822 -5.406 1.273 1.00 0.00 N ATOM 970 CA ALA A 63 -8.891 -5.583 2.757 1.00 0.00 C ATOM 971 C ALA A 63 -9.921 -4.625 3.358 1.00 0.00 C ATOM 972 O ALA A 63 -10.549 -4.919 4.359 1.00 0.00 O ATOM 973 CB ALA A 63 -7.520 -5.302 3.374 1.00 0.00 C ATOM 0 H ALA A 63 -7.983 -4.939 0.930 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.189 -6.609 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.574 -5.432 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.786 -5.995 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.221 -4.279 3.146 1.00 0.00 H new ATOM 979 N THR A 64 -10.088 -3.478 2.768 1.00 0.00 N ATOM 980 CA THR A 64 -11.059 -2.487 3.306 1.00 0.00 C ATOM 981 C THR A 64 -12.459 -3.106 3.381 1.00 0.00 C ATOM 982 O THR A 64 -13.140 -2.989 4.380 1.00 0.00 O ATOM 983 CB THR A 64 -11.084 -1.276 2.372 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.767 -0.765 2.239 1.00 0.00 O ATOM 985 CG2 THR A 64 -12.001 -0.189 2.930 1.00 0.00 C ATOM 0 H THR A 64 -9.590 -3.181 1.929 1.00 0.00 H new ATOM 0 HA THR A 64 -10.758 -2.185 4.309 1.00 0.00 H new ATOM 0 HB THR A 64 -11.464 -1.585 1.398 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.321 -1.203 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.007 0.665 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.013 -0.582 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.638 0.126 3.908 1.00 0.00 H new ATOM 993 N GLN A 65 -12.900 -3.750 2.338 1.00 0.00 N ATOM 994 CA GLN A 65 -14.262 -4.359 2.369 1.00 0.00 C ATOM 995 C GLN A 65 -14.234 -5.699 3.112 1.00 0.00 C ATOM 996 O GLN A 65 -15.162 -6.046 3.820 1.00 0.00 O ATOM 997 CB GLN A 65 -14.777 -4.541 0.932 1.00 0.00 C ATOM 998 CG GLN A 65 -15.004 -6.026 0.617 1.00 0.00 C ATOM 999 CD GLN A 65 -16.223 -6.540 1.385 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.132 -7.504 2.117 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.372 -5.937 1.242 1.00 0.00 N ATOM 0 H GLN A 65 -12.382 -3.882 1.469 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.940 -3.694 2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.709 -3.991 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.059 -4.121 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.155 -6.161 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.121 -6.604 0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.450 -5.127 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -18.192 -6.276 1.745 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.186 -6.463 2.957 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.122 -7.775 3.658 1.00 0.00 C ATOM 1012 C GLU A 66 -13.117 -7.564 5.173 1.00 0.00 C ATOM 1013 O GLU A 66 -13.731 -8.309 5.912 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.849 -8.517 3.245 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.973 -8.975 1.790 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.730 -9.776 1.398 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -9.786 -9.779 2.167 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.746 -10.373 0.336 1.00 0.00 O ATOM 0 H GLU A 66 -12.377 -6.236 2.379 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.996 -8.365 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.983 -7.866 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.690 -9.377 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.867 -9.586 1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.084 -8.111 1.134 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.420 -6.568 5.652 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.375 -6.342 7.124 1.00 0.00 C ATOM 1028 C GLU A 67 -13.319 -5.203 7.518 1.00 0.00 C ATOM 1029 O GLU A 67 -13.471 -4.897 8.682 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.948 -5.983 7.538 1.00 0.00 C ATOM 1031 CG GLU A 67 -10.005 -7.121 7.146 1.00 0.00 C ATOM 1032 CD GLU A 67 -10.423 -8.402 7.873 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -11.111 -8.291 8.876 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -10.052 -9.470 7.413 1.00 0.00 O ATOM 0 H GLU A 67 -11.884 -5.906 5.091 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.691 -7.254 7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.639 -5.057 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.902 -5.811 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.033 -7.276 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.978 -6.862 7.404 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.953 -4.570 6.569 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.875 -3.453 6.921 1.00 0.00 C ATOM 1044 C ALA A 68 -16.140 -3.531 6.071 1.00 0.00 C ATOM 1045 O ALA A 68 -17.175 -3.025 6.443 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.186 -2.116 6.667 1.00 0.00 C ATOM 0 H ALA A 68 -13.874 -4.776 5.573 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.140 -3.536 7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.864 -1.302 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.287 -2.048 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.914 -2.041 5.614 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.068 -4.147 4.929 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.279 -4.237 4.068 1.00 0.00 C ATOM 1054 C GLY A 69 -17.324 -3.031 3.134 1.00 0.00 C ATOM 1055 O GLY A 69 -18.141 -2.959 2.239 1.00 0.00 O ATOM 0 H GLY A 69 -15.229 -4.590 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.259 -5.160 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.177 -4.267 4.685 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.447 -2.083 3.331 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.446 -0.891 2.449 1.00 0.00 C ATOM 1061 C ILE A 70 -15.347 -1.052 1.402 1.00 0.00 C ATOM 1062 O ILE A 70 -14.205 -1.311 1.723 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.166 0.373 3.262 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.971 0.365 4.560 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.591 1.583 2.435 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.290 1.264 5.599 1.00 0.00 C ATOM 0 H ILE A 70 -15.736 -2.086 4.062 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.422 -0.802 1.972 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.104 0.415 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.986 0.716 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.051 -0.652 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.399 2.495 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.023 1.605 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.655 1.514 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.868 1.255 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.284 0.894 5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.233 2.283 5.217 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.684 -0.900 0.153 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.662 -1.040 -0.919 1.00 0.00 C ATOM 1080 C GLU A 71 -14.494 0.302 -1.628 1.00 0.00 C ATOM 1081 O GLU A 71 -15.231 1.235 -1.387 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.115 -2.102 -1.916 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.292 -1.569 -2.727 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.867 -2.692 -3.588 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -16.478 -3.827 -3.377 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.680 -2.396 -4.446 1.00 0.00 O ATOM 0 H GLU A 71 -16.626 -0.684 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.709 -1.342 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.292 -2.367 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.405 -3.011 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.060 -1.178 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.968 -0.742 -3.358 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.527 0.416 -2.497 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.319 1.709 -3.204 1.00 0.00 C ATOM 1096 C ALA A 72 -14.642 2.176 -3.800 1.00 0.00 C ATOM 1097 O ALA A 72 -14.948 3.353 -3.801 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.270 1.526 -4.297 1.00 0.00 C ATOM 0 H ALA A 72 -12.875 -0.328 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.964 2.465 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.116 2.472 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.331 1.201 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.612 0.774 -5.008 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.442 1.270 -4.282 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.757 1.675 -4.843 1.00 0.00 C ATOM 1106 C GLY A 73 -17.556 2.386 -3.748 1.00 0.00 C ATOM 1107 O GLY A 73 -18.434 3.181 -4.021 1.00 0.00 O ATOM 0 H GLY A 73 -15.243 0.270 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.616 2.336 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.301 0.801 -5.201 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.266 2.095 -2.505 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.014 2.748 -1.394 1.00 0.00 C ATOM 1113 C GLN A 74 -17.195 3.885 -0.769 1.00 0.00 C ATOM 1114 O GLN A 74 -17.708 4.644 0.026 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.342 1.719 -0.313 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.271 0.641 -0.868 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.708 -0.278 0.275 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -20.472 0.124 1.131 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -19.252 -1.501 0.333 1.00 0.00 N ATOM 0 H GLN A 74 -16.545 1.435 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.933 3.163 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.423 1.262 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.814 2.213 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.142 1.099 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.760 0.065 -1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.611 -1.841 -0.384 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.537 -2.116 1.095 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.942 4.035 -1.115 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.164 5.165 -0.520 1.00 0.00 C ATOM 1130 C LEU A 75 -14.513 5.967 -1.629 1.00 0.00 C ATOM 1131 O LEU A 75 -14.770 5.773 -2.801 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.056 4.711 0.451 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.977 3.190 0.567 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.718 2.700 -0.136 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.889 2.796 2.040 1.00 0.00 C ATOM 0 H LEU A 75 -15.433 3.440 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.879 5.758 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.096 5.098 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.241 5.140 1.436 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.863 2.747 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.656 1.615 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.754 2.985 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.842 3.149 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.833 1.711 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.998 3.241 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.774 3.155 2.566 1.00 0.00 H new ATOM 1147 N THR A 76 -13.664 6.870 -1.254 1.00 0.00 N ATOM 1148 CA THR A 76 -12.963 7.706 -2.251 1.00 0.00 C ATOM 1149 C THR A 76 -11.498 7.783 -1.850 1.00 0.00 C ATOM 1150 O THR A 76 -11.136 8.485 -0.930 1.00 0.00 O ATOM 1151 CB THR A 76 -13.575 9.107 -2.249 1.00 0.00 C ATOM 1152 OG1 THR A 76 -14.836 9.071 -2.901 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.640 10.071 -2.979 1.00 0.00 C ATOM 0 H THR A 76 -13.422 7.067 -0.283 1.00 0.00 H new ATOM 0 HA THR A 76 -13.057 7.279 -3.250 1.00 0.00 H new ATOM 0 HB THR A 76 -13.711 9.447 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.231 9.968 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.075 11.070 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.675 10.095 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.502 9.736 -4.007 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.651 7.066 -2.527 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.214 7.103 -2.164 1.00 0.00 C ATOM 1163 C ILE A 77 -8.654 8.463 -2.568 1.00 0.00 C ATOM 1164 O ILE A 77 -8.834 8.912 -3.682 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.463 5.998 -2.908 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.297 4.706 -2.897 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.121 5.753 -2.215 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.367 4.130 -1.483 1.00 0.00 C ATOM 0 H ILE A 77 -10.890 6.460 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.095 6.948 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.292 6.301 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.303 4.912 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.855 3.974 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.579 4.966 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.532 6.670 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.295 5.448 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.961 3.216 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.360 3.906 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.830 4.857 -0.816 1.00 0.00 H new ATOM 1180 N ILE A 78 -7.988 9.136 -1.672 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.438 10.468 -2.021 1.00 0.00 C ATOM 1182 C ILE A 78 -6.059 10.307 -2.649 1.00 0.00 C ATOM 1183 O ILE A 78 -5.260 9.486 -2.243 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.356 11.344 -0.771 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.331 12.512 -0.921 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.935 11.892 -0.601 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.758 11.981 -1.089 1.00 0.00 C ATOM 0 H ILE A 78 -7.803 8.821 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.098 10.952 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.613 10.747 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.275 13.159 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.055 13.119 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.890 12.514 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.235 11.063 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.669 12.489 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.448 12.818 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.810 11.353 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.033 11.393 -0.213 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.791 11.082 -3.657 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.481 10.991 -4.350 1.00 0.00 C ATOM 1201 C GLU A 79 -3.556 12.114 -3.876 1.00 0.00 C ATOM 1202 O GLU A 79 -3.999 13.174 -3.482 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.708 11.116 -5.854 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.587 9.958 -6.331 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.787 10.060 -7.841 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.432 11.086 -8.397 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.294 9.111 -8.416 1.00 0.00 O ATOM 0 H GLU A 79 -6.430 11.782 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.015 10.033 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.186 12.069 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.753 11.103 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.121 9.006 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.551 9.986 -5.823 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.274 11.885 -3.910 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.314 12.934 -3.462 1.00 0.00 C ATOM 1217 C GLY A 80 -0.807 12.584 -2.067 1.00 0.00 C ATOM 1218 O GLY A 80 0.239 13.037 -1.645 1.00 0.00 O ATOM 0 H GLY A 80 -1.847 11.015 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.479 13.002 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.801 13.909 -3.451 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.533 11.772 -1.350 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.082 11.383 0.014 1.00 0.00 C ATOM 1224 C PHE A 81 -0.648 9.919 0.016 1.00 0.00 C ATOM 1225 O PHE A 81 -1.403 9.038 -0.344 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.222 11.557 1.014 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.745 11.077 2.363 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.730 9.708 2.647 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.301 11.996 3.317 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.270 9.259 3.891 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.839 11.546 4.559 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.823 10.177 4.846 1.00 0.00 C ATOM 0 H PHE A 81 -2.418 11.362 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.245 12.021 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.524 12.603 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.096 10.989 0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.072 8.998 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.314 13.053 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.261 8.202 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.495 12.256 5.296 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.466 9.830 5.804 1.00 0.00 H new ATOM 1242 N LYS A 82 0.554 9.646 0.436 1.00 0.00 N ATOM 1243 CA LYS A 82 1.012 8.231 0.480 1.00 0.00 C ATOM 1244 C LYS A 82 2.102 8.080 1.537 1.00 0.00 C ATOM 1245 O LYS A 82 3.018 8.873 1.620 1.00 0.00 O ATOM 1246 CB LYS A 82 1.569 7.808 -0.875 1.00 0.00 C ATOM 1247 CG LYS A 82 1.315 6.311 -1.066 1.00 0.00 C ATOM 1248 CD LYS A 82 1.933 5.850 -2.388 1.00 0.00 C ATOM 1249 CE LYS A 82 3.452 5.740 -2.236 1.00 0.00 C ATOM 1250 NZ LYS A 82 4.117 6.625 -3.232 1.00 0.00 N ATOM 0 H LYS A 82 1.236 10.337 0.749 1.00 0.00 H new ATOM 0 HA LYS A 82 0.161 7.597 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.092 8.377 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.637 8.019 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.746 5.750 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.244 6.111 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.516 4.886 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.687 6.556 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.748 6.024 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.769 4.707 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.149 6.550 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.843 6.334 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.824 7.610 -3.072 1.00 0.00 H new ATOM 1264 N ARG A 83 2.006 7.063 2.337 1.00 0.00 N ATOM 1265 CA ARG A 83 3.030 6.832 3.391 1.00 0.00 C ATOM 1266 C ARG A 83 2.877 5.406 3.911 1.00 0.00 C ATOM 1267 O ARG A 83 1.777 4.907 4.031 1.00 0.00 O ATOM 1268 CB ARG A 83 2.809 7.824 4.535 1.00 0.00 C ATOM 1269 CG ARG A 83 3.860 7.598 5.621 1.00 0.00 C ATOM 1270 CD ARG A 83 3.618 8.575 6.771 1.00 0.00 C ATOM 1271 NE ARG A 83 4.705 8.439 7.780 1.00 0.00 N ATOM 1272 CZ ARG A 83 4.579 8.996 8.951 1.00 0.00 C ATOM 1273 NH1 ARG A 83 3.503 9.678 9.233 1.00 0.00 N ATOM 1274 NH2 ARG A 83 5.529 8.880 9.838 1.00 0.00 N ATOM 0 H ARG A 83 1.255 6.373 2.308 1.00 0.00 H new ATOM 0 HA ARG A 83 4.031 6.973 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.872 8.846 4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.809 7.698 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.809 6.572 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.860 7.742 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.585 9.597 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.652 8.375 7.234 1.00 0.00 H new ATOM 0 HE ARG A 83 5.548 7.910 7.554 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.763 9.774 8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.402 10.115 10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.373 8.352 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.428 9.317 10.754 1.00 0.00 H new ATOM 1288 N GLU A 84 3.956 4.738 4.220 1.00 0.00 N ATOM 1289 CA GLU A 84 3.821 3.348 4.728 1.00 0.00 C ATOM 1290 C GLU A 84 4.470 3.222 6.099 1.00 0.00 C ATOM 1291 O GLU A 84 5.545 3.735 6.342 1.00 0.00 O ATOM 1292 CB GLU A 84 4.471 2.357 3.767 1.00 0.00 C ATOM 1293 CG GLU A 84 5.950 2.696 3.558 1.00 0.00 C ATOM 1294 CD GLU A 84 6.085 4.095 2.955 1.00 0.00 C ATOM 1295 OE1 GLU A 84 5.479 4.333 1.922 1.00 0.00 O ATOM 1296 OE2 GLU A 84 6.792 4.904 3.536 1.00 0.00 O ATOM 0 H GLU A 84 4.910 5.090 4.143 1.00 0.00 H new ATOM 0 HA GLU A 84 2.758 3.119 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.377 1.345 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.950 2.376 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.481 2.648 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.411 1.961 2.898 1.00 0.00 H new ATOM 1304 N LEU A 85 3.833 2.525 6.999 1.00 0.00 N ATOM 1305 CA LEU A 85 4.425 2.355 8.348 1.00 0.00 C ATOM 1306 C LEU A 85 5.238 1.061 8.359 1.00 0.00 C ATOM 1307 O LEU A 85 4.723 -0.006 8.087 1.00 0.00 O ATOM 1308 CB LEU A 85 3.312 2.266 9.400 1.00 0.00 C ATOM 1309 CG LEU A 85 2.327 3.432 9.235 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.570 3.652 10.545 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.074 4.714 8.861 1.00 0.00 C ATOM 0 H LEU A 85 2.932 2.069 6.856 1.00 0.00 H new ATOM 0 HA LEU A 85 5.064 3.207 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.783 1.318 9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.745 2.286 10.400 1.00 0.00 H new ATOM 0 HG LEU A 85 1.625 3.186 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.871 4.480 10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.020 2.747 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.278 3.886 11.340 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.361 5.531 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.788 4.962 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.606 4.564 7.922 1.00 0.00 H new ATOM 1323 N ASN A 86 6.505 1.143 8.666 1.00 0.00 N ATOM 1324 CA ASN A 86 7.345 -0.085 8.679 1.00 0.00 C ATOM 1325 C ASN A 86 8.034 -0.239 10.034 1.00 0.00 C ATOM 1326 O ASN A 86 8.734 0.640 10.492 1.00 0.00 O ATOM 1327 CB ASN A 86 8.407 0.007 7.579 1.00 0.00 C ATOM 1328 CG ASN A 86 8.872 1.456 7.432 1.00 0.00 C ATOM 1329 OD1 ASN A 86 9.015 2.168 8.406 1.00 0.00 O ATOM 1330 ND2 ASN A 86 9.121 1.928 6.242 1.00 0.00 N ATOM 0 H ASN A 86 6.992 2.006 8.908 1.00 0.00 H new ATOM 0 HA ASN A 86 6.706 -0.950 8.503 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.254 -0.634 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.998 -0.352 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.435 2.892 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.002 1.333 5.422 1.00 0.00 H new ATOM 1337 N TYR A 87 7.850 -1.361 10.670 1.00 0.00 N ATOM 1338 CA TYR A 87 8.497 -1.589 11.991 1.00 0.00 C ATOM 1339 C TYR A 87 8.437 -3.070 12.327 1.00 0.00 C ATOM 1340 O TYR A 87 7.581 -3.789 11.852 1.00 0.00 O ATOM 1341 CB TYR A 87 7.768 -0.798 13.076 1.00 0.00 C ATOM 1342 CG TYR A 87 6.288 -1.084 12.997 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.754 -2.186 13.670 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.449 -0.248 12.246 1.00 0.00 C ATOM 1345 CE1 TYR A 87 4.380 -2.455 13.596 1.00 0.00 C ATOM 1346 CE2 TYR A 87 4.078 -0.518 12.171 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.543 -1.622 12.846 1.00 0.00 C ATOM 1348 OH TYR A 87 2.191 -1.890 12.769 1.00 0.00 O ATOM 0 H TYR A 87 7.277 -2.133 10.330 1.00 0.00 H new ATOM 0 HA TYR A 87 9.534 -1.258 11.943 1.00 0.00 H new ATOM 0 HB2 TYR A 87 8.150 -1.071 14.059 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.951 0.269 12.948 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.400 -2.831 14.247 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.861 0.604 11.726 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.968 -3.306 14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.432 0.126 11.592 1.00 0.00 H new ATOM 0 HH TYR A 87 1.755 -1.214 12.209 1.00 0.00 H new ATOM 1444 N PRO A 93 9.462 -7.253 10.459 1.00 0.00 N ATOM 1445 CA PRO A 93 9.161 -5.871 9.997 1.00 0.00 C ATOM 1446 C PRO A 93 7.982 -5.880 9.052 1.00 0.00 C ATOM 1447 O PRO A 93 7.812 -6.809 8.308 1.00 0.00 O ATOM 1448 CB PRO A 93 10.416 -5.461 9.248 1.00 0.00 C ATOM 1449 CG PRO A 93 10.958 -6.739 8.712 1.00 0.00 C ATOM 1450 CD PRO A 93 10.602 -7.825 9.726 1.00 0.00 C ATOM 0 HA PRO A 93 8.909 -5.198 10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.189 -4.758 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.132 -4.971 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.527 -6.964 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.038 -6.675 8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.334 -8.760 9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.438 -8.042 10.391 1.00 0.00 H new ATOM 1458 N LYS A 94 7.165 -4.878 9.054 1.00 0.00 N ATOM 1459 CA LYS A 94 6.013 -4.912 8.122 1.00 0.00 C ATOM 1460 C LYS A 94 5.768 -3.533 7.532 1.00 0.00 C ATOM 1461 O LYS A 94 5.402 -2.607 8.227 1.00 0.00 O ATOM 1462 CB LYS A 94 4.771 -5.384 8.873 1.00 0.00 C ATOM 1463 CG LYS A 94 4.207 -6.621 8.172 1.00 0.00 C ATOM 1464 CD LYS A 94 2.819 -6.938 8.724 1.00 0.00 C ATOM 1465 CE LYS A 94 1.757 -6.355 7.791 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.839 -4.864 7.813 1.00 0.00 N ATOM 0 H LYS A 94 7.238 -4.051 9.646 1.00 0.00 H new ATOM 0 HA LYS A 94 6.233 -5.602 7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.023 -5.619 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.023 -4.592 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.151 -6.448 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.872 -7.471 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.688 -8.016 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.709 -6.520 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.908 -6.723 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.765 -6.680 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.943 -4.462 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.015 -4.540 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.616 -4.550 7.198 1.00 0.00 H new ATOM 1480 N THR A 95 5.936 -3.402 6.248 1.00 0.00 N ATOM 1481 CA THR A 95 5.683 -2.093 5.601 1.00 0.00 C ATOM 1482 C THR A 95 4.188 -1.988 5.318 1.00 0.00 C ATOM 1483 O THR A 95 3.597 -2.863 4.716 1.00 0.00 O ATOM 1484 CB THR A 95 6.464 -2.010 4.285 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.857 -1.964 4.565 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.050 -0.752 3.520 1.00 0.00 C ATOM 0 H THR A 95 6.238 -4.147 5.620 1.00 0.00 H new ATOM 0 HA THR A 95 6.004 -1.279 6.251 1.00 0.00 H new ATOM 0 HB THR A 95 6.245 -2.887 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.358 -1.913 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.607 -0.695 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.982 -0.792 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.266 0.129 4.125 1.00 0.00 H new ATOM 1494 N VAL A 96 3.571 -0.935 5.761 1.00 0.00 N ATOM 1495 CA VAL A 96 2.111 -0.777 5.533 1.00 0.00 C ATOM 1496 C VAL A 96 1.865 0.530 4.776 1.00 0.00 C ATOM 1497 O VAL A 96 2.111 1.595 5.291 1.00 0.00 O ATOM 1498 CB VAL A 96 1.413 -0.731 6.896 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.088 -0.532 6.714 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.664 -2.048 7.642 1.00 0.00 C ATOM 0 H VAL A 96 4.015 -0.173 6.273 1.00 0.00 H new ATOM 0 HA VAL A 96 1.720 -1.608 4.947 1.00 0.00 H new ATOM 0 HB VAL A 96 1.815 0.103 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.572 -0.501 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.270 0.406 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.497 -1.358 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.168 -2.017 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.267 -2.878 7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.736 -2.186 7.787 1.00 0.00 H new ATOM 1510 N ILE A 97 1.367 0.455 3.569 1.00 0.00 N ATOM 1511 CA ILE A 97 1.103 1.704 2.790 1.00 0.00 C ATOM 1512 C ILE A 97 -0.326 2.153 3.069 1.00 0.00 C ATOM 1513 O ILE A 97 -1.265 1.395 2.913 1.00 0.00 O ATOM 1514 CB ILE A 97 1.284 1.418 1.294 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.683 0.824 1.053 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.116 2.710 0.485 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.670 1.915 0.612 1.00 0.00 C ATOM 0 H ILE A 97 1.132 -0.414 3.089 1.00 0.00 H new ATOM 0 HA ILE A 97 1.799 2.490 3.083 1.00 0.00 H new ATOM 0 HB ILE A 97 0.527 0.704 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.043 0.349 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.627 0.048 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.247 2.495 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.119 3.117 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.863 3.438 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.652 1.472 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.318 2.372 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.741 2.677 1.388 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.504 3.368 3.508 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.878 3.839 3.832 1.00 0.00 C ATOM 1531 C TYR A 98 -2.347 4.924 2.863 1.00 0.00 C ATOM 1532 O TYR A 98 -1.645 5.876 2.580 1.00 0.00 O ATOM 1533 CB TYR A 98 -1.891 4.416 5.246 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.957 3.304 6.265 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.047 2.421 6.276 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.931 3.157 7.205 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.109 1.397 7.224 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.994 2.130 8.158 1.00 0.00 C ATOM 1539 CZ TYR A 98 -2.082 1.249 8.165 1.00 0.00 C ATOM 1540 OH TYR A 98 -2.147 0.236 9.099 1.00 0.00 O ATOM 0 H TYR A 98 0.239 4.051 3.656 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.551 2.985 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.996 5.016 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.746 5.081 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.839 2.533 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.090 3.835 7.197 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.949 0.719 7.231 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.204 2.019 8.886 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.356 0.272 9.676 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.559 4.795 2.391 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.146 5.818 1.480 1.00 0.00 C ATOM 1552 C TRP A 99 -5.369 6.405 2.187 1.00 0.00 C ATOM 1553 O TRP A 99 -6.098 5.698 2.851 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.584 5.165 0.165 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.419 5.040 -0.760 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.937 6.032 -1.541 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.590 3.873 -1.020 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.858 5.550 -2.259 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.604 4.222 -1.975 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.595 2.556 -0.524 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.656 3.299 -2.419 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.642 1.626 -0.971 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.678 1.997 -1.918 1.00 0.00 C ATOM 0 H TRP A 99 -4.176 4.011 2.603 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.412 6.591 1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.008 4.181 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.367 5.762 -0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.330 7.036 -1.595 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.315 6.107 -2.919 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.335 2.259 0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.089 3.590 -3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.652 0.618 -0.582 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.048 1.275 -2.260 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.614 7.680 2.069 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.802 8.253 2.767 1.00 0.00 C ATOM 1576 C LEU A 100 -8.052 7.926 1.953 1.00 0.00 C ATOM 1577 O LEU A 100 -8.049 7.991 0.742 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.648 9.770 2.897 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.165 10.138 2.866 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.994 11.602 3.265 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.397 9.251 3.849 1.00 0.00 C ATOM 0 H LEU A 100 -5.055 8.341 1.530 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.887 7.824 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.174 10.270 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.099 10.113 3.828 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.776 9.987 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.936 11.864 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.540 12.236 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.384 11.753 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.339 9.514 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.787 9.401 4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.517 8.205 3.566 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.121 7.562 2.608 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.360 7.219 1.858 1.00 0.00 C ATOM 1595 C ALA A 101 -11.586 7.779 2.582 1.00 0.00 C ATOM 1596 O ALA A 101 -11.580 7.976 3.781 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.476 5.695 1.755 1.00 0.00 C ATOM 0 H ALA A 101 -9.189 7.488 3.623 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.311 7.656 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.382 5.435 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.607 5.299 1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.522 5.265 2.756 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.637 8.049 1.850 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.870 8.608 2.480 1.00 0.00 C ATOM 1605 C GLU A 102 -15.080 7.755 2.089 1.00 0.00 C ATOM 1606 O GLU A 102 -15.383 7.594 0.926 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.077 10.037 1.975 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.295 10.659 2.658 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.571 12.036 2.045 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -16.546 12.653 2.440 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -14.803 12.449 1.194 1.00 0.00 O ATOM 0 H GLU A 102 -12.694 7.906 0.842 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.763 8.605 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.190 10.636 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.218 10.033 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.164 10.013 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.117 10.754 3.729 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.782 7.217 3.052 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.975 6.382 2.730 1.00 0.00 C ATOM 1621 C VAL A 103 -18.177 7.300 2.441 1.00 0.00 C ATOM 1622 O VAL A 103 -18.406 8.279 3.123 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.261 5.435 3.902 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.958 4.771 4.320 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.806 6.208 5.099 1.00 0.00 C ATOM 0 H VAL A 103 -15.580 7.320 4.047 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.788 5.778 1.842 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.998 4.697 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.146 4.094 5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.551 4.208 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.243 5.534 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.002 5.518 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.074 6.950 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.732 6.709 4.817 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.916 7.008 1.402 1.00 0.00 N ATOM 1636 CA LYS A 104 -20.072 7.871 1.019 1.00 0.00 C ATOM 1637 C LYS A 104 -21.143 7.895 2.107 1.00 0.00 C ATOM 1638 O LYS A 104 -21.838 8.878 2.265 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.715 7.334 -0.268 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.685 6.556 -1.092 1.00 0.00 C ATOM 1641 CD LYS A 104 -18.362 7.322 -1.132 1.00 0.00 C ATOM 1642 CE LYS A 104 -17.896 7.473 -2.577 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.695 8.538 -3.246 1.00 0.00 N ATOM 0 H LYS A 104 -18.766 6.201 0.797 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.689 8.881 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.556 6.687 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.112 8.161 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.530 5.568 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.057 6.404 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.486 8.304 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.607 6.793 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -16.836 7.727 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.011 6.528 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.379 8.642 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.702 8.278 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.563 9.439 -2.743 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.329 6.823 2.820 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.411 6.822 3.844 1.00 0.00 C ATOM 1659 C ASP A 105 -21.863 6.810 5.263 1.00 0.00 C ATOM 1660 O ASP A 105 -20.983 6.048 5.601 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.288 5.590 3.649 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.756 6.010 3.663 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.535 5.397 2.949 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.077 6.939 4.385 1.00 0.00 O ATOM 0 H ASP A 105 -20.790 5.960 2.743 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.986 7.739 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -23.046 5.103 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.098 4.865 4.440 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.430 7.624 6.107 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.009 7.640 7.527 1.00 0.00 C ATOM 1672 C TYR A 106 -22.416 6.304 8.135 1.00 0.00 C ATOM 1673 O TYR A 106 -21.678 5.684 8.874 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.729 8.779 8.249 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.327 8.789 9.702 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.085 9.304 10.080 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.209 8.301 10.675 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -20.714 9.320 11.429 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -22.838 8.313 12.025 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.595 8.831 12.403 1.00 0.00 C ATOM 1681 OH TYR A 106 -21.230 8.850 13.734 1.00 0.00 O ATOM 0 H TYR A 106 -23.172 8.282 5.869 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.933 7.790 7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.479 9.733 7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.808 8.655 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.410 9.690 9.330 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.175 7.916 10.384 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.749 9.709 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.511 7.923 12.774 1.00 0.00 H new ATOM 0 HH TYR A 106 -21.955 8.476 14.277 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.589 5.848 7.792 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.071 4.540 8.307 1.00 0.00 C ATOM 1693 C ASP A 107 -23.599 3.450 7.352 1.00 0.00 C ATOM 1694 O ASP A 107 -24.083 2.337 7.374 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.602 4.533 8.386 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.203 4.636 6.984 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.348 5.042 6.883 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.515 4.299 6.036 1.00 0.00 O ATOM 0 H ASP A 107 -24.238 6.331 7.171 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.675 4.366 9.308 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.944 3.618 8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.946 5.366 8.999 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.657 3.769 6.507 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.149 2.756 5.548 1.00 0.00 C ATOM 1706 C VAL A 108 -21.981 1.436 6.290 1.00 0.00 C ATOM 1707 O VAL A 108 -21.640 1.405 7.456 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.808 3.223 4.982 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.865 3.548 6.138 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.191 2.126 4.114 1.00 0.00 C ATOM 0 H VAL A 108 -22.219 4.688 6.442 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.848 2.624 4.722 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.966 4.110 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.906 3.882 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.299 4.338 6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.716 2.657 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.236 2.470 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.032 1.232 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.864 1.893 3.289 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.249 0.349 5.638 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.140 -0.960 6.321 1.00 0.00 C ATOM 1722 C GLU A 109 -20.705 -1.232 6.731 1.00 0.00 C ATOM 1723 O GLU A 109 -19.757 -0.871 6.061 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.637 -2.076 5.402 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.464 -2.954 4.953 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.926 -3.867 3.818 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -23.126 -4.023 3.660 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -21.072 -4.390 3.120 1.00 0.00 O ATOM 0 H GLU A 109 -22.539 0.309 4.661 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.759 -0.932 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.377 -2.684 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.133 -1.646 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.634 -2.331 4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.099 -3.550 5.790 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.558 -1.884 7.834 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.216 -2.233 8.338 1.00 0.00 C ATOM 1738 C ILE A 110 -19.138 -3.747 8.516 1.00 0.00 C ATOM 1739 O ILE A 110 -19.791 -4.316 9.366 1.00 0.00 O ATOM 1740 CB ILE A 110 -18.979 -1.523 9.670 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.827 -0.018 9.423 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.712 -2.067 10.322 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.655 0.233 8.469 1.00 0.00 C ATOM 0 H ILE A 110 -21.329 -2.198 8.423 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.448 -1.916 7.632 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.827 -1.699 10.332 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.747 0.385 8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.657 0.500 10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.545 -1.559 11.272 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.824 -3.137 10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.861 -1.894 9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.550 1.304 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.737 -0.155 8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.843 -0.271 7.521 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.349 -4.406 7.712 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.239 -5.883 7.835 1.00 0.00 C ATOM 1757 C ARG A 111 -16.935 -6.231 8.524 1.00 0.00 C ATOM 1758 O ARG A 111 -15.855 -6.019 8.002 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.290 -6.520 6.450 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.704 -6.351 5.899 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.783 -6.893 4.474 1.00 0.00 C ATOM 1762 NE ARG A 111 -21.124 -6.579 3.901 1.00 0.00 N ATOM 1763 CZ ARG A 111 -22.122 -7.404 4.070 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -21.949 -8.510 4.738 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -23.295 -7.124 3.567 1.00 0.00 N ATOM 0 H ARG A 111 -17.779 -3.985 6.978 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.070 -6.266 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.565 -6.048 5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.028 -7.577 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.415 -6.877 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.983 -5.297 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.999 -6.449 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.617 -7.970 4.473 1.00 0.00 H new ATOM 0 HE ARG A 111 -21.262 -5.716 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.033 -8.732 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.729 -9.154 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -23.432 -6.260 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -24.074 -7.769 3.700 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.038 -6.759 9.705 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.822 -7.126 10.465 1.00 0.00 C ATOM 1781 C LEU A 112 -15.615 -8.643 10.396 1.00 0.00 C ATOM 1782 O LEU A 112 -16.553 -9.410 10.482 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.995 -6.714 11.927 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.525 -5.276 12.024 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.329 -4.764 13.452 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.778 -4.365 11.048 1.00 0.00 C ATOM 0 H LEU A 112 -17.920 -6.953 10.179 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.959 -6.616 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.685 -7.396 12.423 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.041 -6.792 12.448 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.584 -5.269 11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.704 -3.743 13.527 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.875 -5.403 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.268 -4.781 13.702 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.165 -3.349 11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.715 -4.368 11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.921 -4.728 10.030 1.00 0.00 H new ATOM 1798 N SER A 113 -14.394 -9.076 10.252 1.00 0.00 N ATOM 1799 CA SER A 113 -14.115 -10.542 10.193 1.00 0.00 C ATOM 1800 C SER A 113 -13.791 -11.038 11.606 1.00 0.00 C ATOM 1801 O SER A 113 -13.666 -10.260 12.531 1.00 0.00 O ATOM 1802 CB SER A 113 -12.921 -10.800 9.272 1.00 0.00 C ATOM 1803 OG SER A 113 -11.736 -10.337 9.902 1.00 0.00 O ATOM 0 H SER A 113 -13.572 -8.477 10.172 1.00 0.00 H new ATOM 0 HA SER A 113 -14.985 -11.071 9.804 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.839 -11.865 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.064 -10.289 8.320 1.00 0.00 H new ATOM 0 HG SER A 113 -11.705 -9.358 9.861 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.657 -12.321 11.787 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.347 -12.846 13.149 1.00 0.00 C ATOM 1811 C HIS A 114 -12.164 -12.067 13.741 1.00 0.00 C ATOM 1812 O HIS A 114 -12.076 -11.873 14.935 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.989 -14.334 13.069 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.826 -14.885 14.458 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -13.911 -15.125 15.290 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -11.711 -15.238 15.181 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -13.431 -15.601 16.455 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -12.099 -15.688 16.439 1.00 0.00 N ATOM 0 H HIS A 114 -13.748 -13.027 11.057 1.00 0.00 H new ATOM 0 HA HIS A 114 -14.223 -12.723 13.786 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.770 -14.879 12.539 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.067 -14.467 12.503 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.692 -15.176 14.827 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -14.047 -15.878 17.298 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.493 -16.016 17.191 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.252 -11.621 12.916 1.00 0.00 N ATOM 1828 CA GLU A 115 -10.081 -10.860 13.441 1.00 0.00 C ATOM 1829 C GLU A 115 -10.564 -9.579 14.127 1.00 0.00 C ATOM 1830 O GLU A 115 -9.970 -9.118 15.080 1.00 0.00 O ATOM 1831 CB GLU A 115 -9.150 -10.492 12.283 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.565 -11.770 11.674 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.620 -11.406 10.528 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.952 -12.298 10.032 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -7.580 -10.241 10.162 1.00 0.00 O ATOM 0 H GLU A 115 -11.268 -11.751 11.904 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.545 -11.478 14.161 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.698 -9.933 11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.348 -9.845 12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.028 -12.335 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.367 -12.411 11.308 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.635 -9.002 13.647 1.00 0.00 N ATOM 1844 CA HIS A 116 -12.154 -7.754 14.269 1.00 0.00 C ATOM 1845 C HIS A 116 -13.528 -8.025 14.879 1.00 0.00 C ATOM 1846 O HIS A 116 -14.336 -8.737 14.317 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.274 -6.667 13.202 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.902 -6.293 12.721 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.363 -6.807 11.549 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.937 -5.471 13.249 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -9.129 -6.293 11.411 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.822 -5.474 12.420 1.00 0.00 N ATOM 0 H HIS A 116 -12.171 -9.344 12.850 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.469 -7.422 15.049 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.880 -7.024 12.369 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.779 -5.793 13.612 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -10.820 -7.457 10.909 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.030 -4.909 14.167 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.468 -6.515 10.586 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.797 -7.477 16.031 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.115 -7.723 16.679 1.00 0.00 C ATOM 1863 C GLN A 117 -15.958 -6.444 16.694 1.00 0.00 C ATOM 1864 O GLN A 117 -17.171 -6.502 16.728 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.885 -8.202 18.111 1.00 0.00 C ATOM 1866 CG GLN A 117 -14.167 -7.110 18.905 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.807 -7.647 20.286 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.121 -6.995 21.047 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -14.243 -8.824 20.644 1.00 0.00 N ATOM 0 H GLN A 117 -13.163 -6.871 16.551 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.652 -8.483 16.112 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.838 -8.443 18.583 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.291 -9.116 18.109 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.266 -6.794 18.379 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.806 -6.232 18.999 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -14.819 -9.371 20.004 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -14.008 -9.197 21.564 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.344 -5.291 16.681 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.153 -4.035 16.707 1.00 0.00 C ATOM 1880 C ALA A 118 -15.383 -2.870 16.080 1.00 0.00 C ATOM 1881 O ALA A 118 -14.171 -2.887 15.979 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.499 -3.679 18.151 1.00 0.00 C ATOM 0 H ALA A 118 -14.332 -5.163 16.654 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.062 -4.206 16.130 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.089 -2.763 18.168 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.074 -4.490 18.598 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.581 -3.530 18.719 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.092 -1.854 15.671 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.435 -0.665 15.061 1.00 0.00 C ATOM 1890 C TYR A 119 -16.065 0.606 15.634 1.00 0.00 C ATOM 1891 O TYR A 119 -17.190 0.601 16.090 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.646 -0.685 13.547 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.100 -0.422 13.242 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -18.002 -1.488 13.169 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.548 0.887 13.020 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.350 -1.252 12.880 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.898 1.122 12.729 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.799 0.053 12.657 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.128 0.287 12.368 1.00 0.00 O ATOM 0 H TYR A 119 -17.108 -1.797 15.734 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.368 -0.686 15.283 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -15.020 0.070 13.071 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.346 -1.650 13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.656 -2.497 13.336 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.854 1.713 13.073 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.044 -2.078 12.829 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.245 2.131 12.560 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.271 1.248 12.242 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.353 1.698 15.607 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.921 2.966 16.143 1.00 0.00 C ATOM 1911 C ARG A 120 -15.559 4.126 15.219 1.00 0.00 C ATOM 1912 O ARG A 120 -14.527 4.125 14.579 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.345 3.260 17.530 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.797 2.189 18.517 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.264 2.534 19.909 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.521 1.389 20.832 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.351 1.517 21.835 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.976 2.643 22.039 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -16.556 0.506 22.633 1.00 0.00 N ATOM 0 H ARG A 120 -14.405 1.767 15.238 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.004 2.857 16.207 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.256 3.287 17.483 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.674 4.242 17.869 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.885 2.130 18.535 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.430 1.211 18.205 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.196 2.744 19.860 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.750 3.435 20.284 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.046 0.500 20.679 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.820 3.434 21.414 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.621 2.733 22.824 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -16.071 -0.377 22.473 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.202 0.598 23.417 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.388 5.127 15.178 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.082 6.311 14.337 1.00 0.00 C ATOM 1935 C TRP A 121 -15.696 7.453 15.274 1.00 0.00 C ATOM 1936 O TRP A 121 -16.524 7.999 15.978 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.317 6.680 13.516 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.419 5.746 12.351 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.109 4.582 12.345 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.819 5.877 11.033 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.961 3.986 11.105 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.179 4.748 10.261 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.007 6.856 10.439 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.740 4.596 8.943 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.564 6.707 9.114 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.931 5.580 8.368 1.00 0.00 C ATOM 0 H TRP A 121 -17.267 5.176 15.693 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.264 6.105 13.646 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.214 6.614 14.132 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.245 7.711 13.168 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.680 4.184 13.171 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.379 3.092 10.846 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.721 7.730 11.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.024 3.724 8.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.937 7.465 8.669 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.589 5.471 7.349 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.435 7.796 15.319 1.00 0.00 N ATOM 1958 CA LEU A 122 -13.993 8.871 16.246 1.00 0.00 C ATOM 1959 C LEU A 122 -13.207 9.938 15.488 1.00 0.00 C ATOM 1960 O LEU A 122 -12.914 9.800 14.317 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.088 8.280 17.332 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.447 6.812 17.586 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.335 5.910 17.051 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.610 6.577 19.091 1.00 0.00 C ATOM 0 H LEU A 122 -13.696 7.377 14.754 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.878 9.320 16.696 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.044 8.358 17.027 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.194 8.852 18.254 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.381 6.578 17.076 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.593 4.867 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.218 6.073 15.980 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.399 6.146 17.558 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.865 5.533 19.271 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.676 6.815 19.600 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.405 7.216 19.475 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.859 10.998 16.159 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.086 12.081 15.501 1.00 0.00 C ATOM 1978 C GLY A 123 -10.597 11.737 15.541 1.00 0.00 C ATOM 1979 O GLY A 123 -10.201 10.693 16.020 1.00 0.00 O ATOM 0 H GLY A 123 -13.079 11.160 17.142 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.415 12.203 14.469 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.265 13.030 16.007 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.774 12.609 15.038 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.309 12.352 15.030 1.00 0.00 C ATOM 1985 C LEU A 124 -7.793 12.129 16.458 1.00 0.00 C ATOM 1986 O LEU A 124 -6.933 11.306 16.692 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.612 13.568 14.413 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.093 13.397 14.451 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.705 12.024 13.902 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.454 14.480 13.584 1.00 0.00 C ATOM 0 H LEU A 124 -10.056 13.499 14.627 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.098 11.455 14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.943 13.699 13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.895 14.470 14.956 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.745 13.481 15.481 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.621 11.913 13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.168 11.246 14.509 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.049 11.934 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.370 14.369 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.811 14.383 12.559 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.725 15.462 13.971 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.305 12.864 17.408 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.835 12.711 18.818 1.00 0.00 C ATOM 2004 C GLU A 125 -8.111 11.293 19.328 1.00 0.00 C ATOM 2005 O GLU A 125 -7.224 10.610 19.798 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.586 13.713 19.699 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.069 13.338 19.756 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.849 14.443 20.467 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.217 15.357 20.972 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.065 14.356 20.502 1.00 0.00 O ATOM 0 H GLU A 125 -9.031 13.567 17.269 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.761 12.895 18.857 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.163 13.717 20.704 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.471 14.721 19.300 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.458 13.195 18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.196 12.392 20.283 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.332 10.852 19.246 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.658 9.487 19.731 1.00 0.00 C ATOM 2020 C GLU A 126 -9.034 8.468 18.792 1.00 0.00 C ATOM 2021 O GLU A 126 -8.376 7.539 19.210 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.171 9.309 19.735 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.717 9.444 21.160 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.035 10.608 21.884 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -9.988 10.383 22.470 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -11.578 11.698 21.852 1.00 0.00 O ATOM 0 H GLU A 126 -10.118 11.378 18.864 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.269 9.346 20.740 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.634 10.055 19.089 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.430 8.331 19.330 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.794 9.607 21.130 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.550 8.518 21.710 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.211 8.644 17.520 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.597 7.690 16.573 1.00 0.00 C ATOM 2036 C ALA A 127 -7.126 7.578 16.943 1.00 0.00 C ATOM 2037 O ALA A 127 -6.522 6.530 16.848 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.737 8.228 15.154 1.00 0.00 C ATOM 0 H ALA A 127 -9.750 9.401 17.098 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.082 6.715 16.623 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.285 7.527 14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.793 8.351 14.914 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.233 9.192 15.079 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.558 8.660 17.397 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.138 8.638 17.811 1.00 0.00 C ATOM 2046 C CYS A 128 -5.038 7.976 19.184 1.00 0.00 C ATOM 2047 O CYS A 128 -4.138 7.209 19.453 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.610 10.074 17.886 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.969 10.562 16.266 1.00 0.00 S ATOM 0 H CYS A 128 -7.024 9.562 17.498 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.544 8.077 17.089 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.407 10.751 18.193 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.824 10.146 18.637 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.522 11.781 16.326 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.964 8.264 20.062 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.916 7.644 21.416 1.00 0.00 C ATOM 2057 C GLN A 129 -6.012 6.124 21.271 1.00 0.00 C ATOM 2058 O GLN A 129 -5.201 5.390 21.801 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.075 8.194 22.269 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.327 7.317 22.144 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.184 6.075 23.024 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.103 5.749 23.470 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.243 5.361 23.294 1.00 0.00 N ATOM 0 H GLN A 129 -6.746 8.898 19.900 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.978 7.888 21.914 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.768 8.245 23.314 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.309 9.211 21.955 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.209 7.884 22.441 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.472 7.022 21.105 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.152 5.634 22.920 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.162 4.530 23.879 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.985 5.647 20.544 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.129 4.178 20.349 1.00 0.00 C ATOM 2074 C LEU A 130 -5.907 3.643 19.598 1.00 0.00 C ATOM 2075 O LEU A 130 -5.335 2.634 19.961 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.381 3.900 19.520 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.634 4.308 20.299 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.621 4.976 19.348 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.296 3.065 20.900 1.00 0.00 C ATOM 0 H LEU A 130 -7.690 6.216 20.075 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.210 3.689 21.320 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.333 4.450 18.580 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.430 2.841 19.267 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.353 4.997 21.095 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.515 5.268 19.898 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.160 5.860 18.908 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.894 4.277 18.557 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.188 3.359 21.454 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.576 2.379 20.100 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.597 2.570 21.574 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.491 4.320 18.558 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.300 3.850 17.802 1.00 0.00 C ATOM 2093 C ALA A 131 -3.065 4.185 18.626 1.00 0.00 C ATOM 2094 O ALA A 131 -2.154 4.854 18.177 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.233 4.537 16.440 1.00 0.00 C ATOM 0 H ALA A 131 -5.924 5.173 18.204 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.359 2.775 17.630 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.356 4.184 15.897 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.132 4.303 15.870 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.163 5.616 16.580 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.055 3.721 19.839 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.925 3.986 20.763 1.00 0.00 C ATOM 2103 C GLN A 132 -0.606 3.957 19.997 1.00 0.00 C ATOM 2104 O GLN A 132 0.320 4.677 20.316 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.894 2.899 21.843 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.894 1.780 21.504 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.251 2.070 22.159 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.129 1.230 22.162 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -4.462 3.228 22.715 1.00 0.00 N ATOM 0 H GLN A 132 -3.803 3.154 20.239 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.058 4.968 21.218 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.889 2.485 21.923 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.139 3.333 22.812 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.012 1.702 20.423 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.511 0.821 21.853 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.727 3.935 22.714 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.362 3.428 23.151 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.502 3.133 18.995 1.00 0.00 N ATOM 2119 CA PHE A 133 0.769 3.074 18.229 1.00 0.00 C ATOM 2120 C PHE A 133 1.089 4.461 17.670 1.00 0.00 C ATOM 2121 O PHE A 133 0.284 5.079 17.005 1.00 0.00 O ATOM 2122 CB PHE A 133 0.618 2.069 17.090 1.00 0.00 C ATOM 2123 CG PHE A 133 0.447 0.688 17.680 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.787 0.302 18.215 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.529 -0.201 17.701 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.942 -0.974 18.769 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.374 -1.476 18.258 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.140 -1.864 18.791 1.00 0.00 C ATOM 0 H PHE A 133 -1.237 2.502 18.675 1.00 0.00 H new ATOM 0 HA PHE A 133 1.584 2.759 18.881 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.243 2.325 16.472 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.495 2.097 16.443 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.620 0.989 18.200 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.482 0.097 17.288 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.895 -1.272 19.179 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.209 -2.161 18.276 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.022 -2.848 19.219 1.00 0.00 H new ATOM 2138 N LYS A 134 2.262 4.951 17.954 1.00 0.00 N ATOM 2139 CA LYS A 134 2.669 6.303 17.468 1.00 0.00 C ATOM 2140 C LYS A 134 2.532 6.382 15.947 1.00 0.00 C ATOM 2141 O LYS A 134 2.113 7.383 15.400 1.00 0.00 O ATOM 2142 CB LYS A 134 4.139 6.528 17.841 1.00 0.00 C ATOM 2143 CG LYS A 134 4.653 7.838 17.233 1.00 0.00 C ATOM 2144 CD LYS A 134 6.174 7.756 17.087 1.00 0.00 C ATOM 2145 CE LYS A 134 6.730 9.101 16.610 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.512 10.138 17.661 1.00 0.00 N ATOM 0 H LYS A 134 2.967 4.467 18.510 1.00 0.00 H new ATOM 0 HA LYS A 134 2.030 7.060 17.924 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.245 6.558 18.925 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.743 5.693 17.485 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.190 8.009 16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.381 8.681 17.869 1.00 0.00 H new ATOM 0 HD2 LYS A 134 6.625 7.485 18.042 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.437 6.972 16.377 1.00 0.00 H new ATOM 0 HE2 LYS A 134 7.794 9.009 16.392 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.240 9.400 15.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.174 10.926 17.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.535 10.491 17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 6.675 9.721 18.600 1.00 0.00 H new ATOM 2160 N GLU A 135 2.911 5.346 15.263 1.00 0.00 N ATOM 2161 CA GLU A 135 2.844 5.361 13.778 1.00 0.00 C ATOM 2162 C GLU A 135 1.430 5.693 13.315 1.00 0.00 C ATOM 2163 O GLU A 135 1.228 6.506 12.437 1.00 0.00 O ATOM 2164 CB GLU A 135 3.213 3.974 13.265 1.00 0.00 C ATOM 2165 CG GLU A 135 4.343 3.406 14.121 1.00 0.00 C ATOM 2166 CD GLU A 135 3.769 2.409 15.130 1.00 0.00 C ATOM 2167 OE1 GLU A 135 4.246 2.395 16.254 1.00 0.00 O ATOM 2168 OE2 GLU A 135 2.864 1.673 14.765 1.00 0.00 O ATOM 0 H GLU A 135 3.268 4.481 15.670 1.00 0.00 H new ATOM 0 HA GLU A 135 3.531 6.115 13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.345 3.316 13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.524 4.030 12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.081 2.914 13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.858 4.212 14.643 1.00 0.00 H new ATOM 2176 N MET A 136 0.451 5.063 13.891 1.00 0.00 N ATOM 2177 CA MET A 136 -0.944 5.338 13.470 1.00 0.00 C ATOM 2178 C MET A 136 -1.326 6.760 13.853 1.00 0.00 C ATOM 2179 O MET A 136 -2.007 7.445 13.115 1.00 0.00 O ATOM 2180 CB MET A 136 -1.877 4.341 14.145 1.00 0.00 C ATOM 2181 CG MET A 136 -1.499 2.929 13.699 1.00 0.00 C ATOM 2182 SD MET A 136 -2.740 2.297 12.532 1.00 0.00 S ATOM 2183 CE MET A 136 -2.606 3.588 11.266 1.00 0.00 C ATOM 0 H MET A 136 0.556 4.371 14.633 1.00 0.00 H new ATOM 0 HA MET A 136 -1.029 5.233 12.388 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.800 4.427 15.229 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.913 4.555 13.881 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.516 2.938 13.229 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.432 2.270 14.565 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.103 3.257 10.354 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.080 4.501 11.626 1.00 0.00 H new ATOM 0 HE3 MET A 136 -1.555 3.783 11.055 1.00 0.00 H new ATOM 2193 N LYS A 137 -0.891 7.229 14.992 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.246 8.618 15.378 1.00 0.00 C ATOM 2195 C LYS A 137 -0.763 9.557 14.283 1.00 0.00 C ATOM 2196 O LYS A 137 -1.438 10.497 13.923 1.00 0.00 O ATOM 2197 CB LYS A 137 -0.576 8.996 16.707 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.541 8.737 17.870 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.155 7.449 18.605 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.294 7.791 19.818 1.00 0.00 C ATOM 2201 NZ LYS A 137 0.643 8.895 19.470 1.00 0.00 N ATOM 0 H LYS A 137 -0.315 6.717 15.660 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.326 8.696 15.502 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.336 8.414 16.843 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.285 10.046 16.692 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -1.521 9.579 18.562 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.561 8.658 17.494 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -2.052 6.916 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.609 6.785 17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.927 8.088 20.654 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.266 6.913 20.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 1.408 8.936 20.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 1.048 8.723 18.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 0.128 9.799 19.466 1.00 0.00 H new ATOM 2215 N ALA A 138 0.393 9.294 13.736 1.00 0.00 N ATOM 2216 CA ALA A 138 0.917 10.162 12.648 1.00 0.00 C ATOM 2217 C ALA A 138 0.134 9.891 11.365 1.00 0.00 C ATOM 2218 O ALA A 138 -0.275 10.803 10.673 1.00 0.00 O ATOM 2219 CB ALA A 138 2.391 9.858 12.414 1.00 0.00 C ATOM 0 H ALA A 138 0.996 8.514 13.997 1.00 0.00 H new ATOM 0 HA ALA A 138 0.805 11.208 12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.772 10.496 11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.951 10.048 13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.506 8.812 12.129 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.084 8.643 11.042 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.848 8.321 9.806 1.00 0.00 C ATOM 2227 C ALA A 139 -2.194 9.034 9.874 1.00 0.00 C ATOM 2228 O ALA A 139 -2.605 9.715 8.955 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.074 6.810 9.728 1.00 0.00 C ATOM 0 H ALA A 139 0.234 7.837 11.580 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.295 8.646 8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.634 6.572 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.112 6.299 9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.638 6.481 10.601 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.865 8.898 10.980 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.171 9.580 11.157 1.00 0.00 C ATOM 2237 C LEU A 140 -3.908 11.086 11.224 1.00 0.00 C ATOM 2238 O LEU A 140 -4.734 11.898 10.855 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.806 9.107 12.471 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.878 7.572 12.482 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.702 7.053 13.911 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.237 7.111 11.955 1.00 0.00 C ATOM 0 H LEU A 140 -2.561 8.338 11.776 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.845 9.351 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.219 9.460 13.319 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.805 9.529 12.577 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.084 7.181 11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.754 5.964 13.912 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.733 7.370 14.297 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.493 7.454 14.544 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.281 6.022 11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.028 7.512 12.588 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.372 7.470 10.935 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.752 11.454 11.711 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.398 12.897 11.832 1.00 0.00 C ATOM 2256 C GLN A 141 -2.015 13.478 10.471 1.00 0.00 C ATOM 2257 O GLN A 141 -2.542 14.487 10.047 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.199 13.025 12.766 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.646 13.527 14.135 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.956 15.022 14.061 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -1.860 15.724 15.048 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -2.321 15.546 12.923 1.00 0.00 N ATOM 0 H GLN A 141 -2.031 10.808 12.033 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.260 13.440 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.705 12.059 12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.469 13.713 12.339 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.529 12.979 14.463 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.865 13.344 14.873 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.402 14.958 12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.525 16.544 12.863 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.090 12.867 9.785 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.677 13.410 8.461 1.00 0.00 C ATOM 2273 C GLU A 142 -1.839 13.297 7.476 1.00 0.00 C ATOM 2274 O GLU A 142 -2.051 14.166 6.652 1.00 0.00 O ATOM 2275 CB GLU A 142 0.535 12.638 7.933 1.00 0.00 C ATOM 2276 CG GLU A 142 1.720 12.843 8.882 1.00 0.00 C ATOM 2277 CD GLU A 142 2.953 12.138 8.317 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.816 11.470 7.307 1.00 0.00 O ATOM 2279 OE2 GLU A 142 4.013 12.274 8.903 1.00 0.00 O ATOM 0 H GLU A 142 -0.605 12.020 10.081 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.403 14.459 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.298 11.577 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.792 12.983 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.921 13.907 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.482 12.447 9.869 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.606 12.243 7.554 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.758 12.104 6.619 1.00 0.00 C ATOM 2289 C GLY A 143 -4.664 13.324 6.779 1.00 0.00 C ATOM 2290 O GLY A 143 -5.043 13.960 5.818 1.00 0.00 O ATOM 0 H GLY A 143 -2.486 11.479 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.404 12.028 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.312 11.190 6.834 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.996 13.665 7.994 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.863 14.852 8.230 1.00 0.00 C ATOM 2296 C HIS A 144 -5.134 16.110 7.762 1.00 0.00 C ATOM 2297 O HIS A 144 -5.714 16.991 7.158 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.155 14.974 9.727 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.183 16.050 9.952 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -6.834 17.359 10.249 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.554 16.026 9.921 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -7.973 18.063 10.384 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.047 17.297 10.194 1.00 0.00 N ATOM 0 H HIS A 144 -4.702 13.170 8.836 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.796 14.738 7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.518 14.023 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.240 15.212 10.269 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -5.886 17.722 10.347 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.158 15.154 9.716 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.012 19.117 10.617 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.867 16.204 8.056 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.089 17.408 7.657 1.00 0.00 C ATOM 2314 C GLN A 145 -3.155 17.608 6.142 1.00 0.00 C ATOM 2315 O GLN A 145 -3.343 18.706 5.662 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.629 17.221 8.071 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.869 18.528 7.857 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.281 19.538 8.931 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.293 19.223 10.102 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.621 20.743 8.576 1.00 0.00 N ATOM 0 H GLN A 145 -3.335 15.494 8.559 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.514 18.282 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.572 16.922 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.173 16.422 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.205 18.349 7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -1.083 18.927 6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.610 21.007 7.591 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.898 21.424 9.283 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.983 16.559 5.387 1.00 0.00 N ATOM 2330 CA PHE A 146 -3.015 16.699 3.903 1.00 0.00 C ATOM 2331 C PHE A 146 -4.438 16.981 3.404 1.00 0.00 C ATOM 2332 O PHE A 146 -4.658 17.886 2.625 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.497 15.410 3.263 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.566 15.531 1.758 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.790 15.361 1.107 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.411 15.809 1.017 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.869 15.467 -0.285 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.487 15.916 -0.378 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.715 15.745 -1.030 1.00 0.00 C ATOM 0 H PHE A 146 -2.822 15.613 5.732 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.381 17.540 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.470 15.223 3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.092 14.561 3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.679 15.147 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.464 15.941 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.817 15.335 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.597 16.131 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.772 15.827 -2.105 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.406 16.211 3.830 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.799 16.446 3.346 1.00 0.00 C ATOM 2351 C LEU A 147 -7.204 17.902 3.596 1.00 0.00 C ATOM 2352 O LEU A 147 -7.856 18.522 2.778 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.767 15.509 4.071 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.406 14.053 3.759 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.410 13.125 4.429 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.452 13.816 2.248 1.00 0.00 C ATOM 0 H LEU A 147 -5.294 15.437 4.485 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.839 16.245 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.721 15.683 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.791 15.715 3.759 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.402 13.851 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.153 12.089 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.387 13.281 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.410 13.339 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.194 12.779 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.456 14.024 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.739 14.476 1.754 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.822 18.464 4.706 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.184 19.882 4.973 1.00 0.00 C ATOM 2370 C CYS A 148 -6.446 20.780 3.974 1.00 0.00 C ATOM 2371 O CYS A 148 -6.739 21.951 3.842 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.782 20.254 6.400 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.791 19.312 7.570 1.00 0.00 S ATOM 0 H CYS A 148 -6.278 18.006 5.437 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.260 20.017 4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.725 20.041 6.560 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.920 21.323 6.562 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.269 18.134 7.742 1.00 0.00 H new ATOM 2379 N SER A 149 -5.484 20.234 3.273 1.00 0.00 N ATOM 2380 CA SER A 149 -4.717 21.051 2.287 1.00 0.00 C ATOM 2381 C SER A 149 -5.403 21.019 0.918 1.00 0.00 C ATOM 2382 O SER A 149 -5.060 21.773 0.031 1.00 0.00 O ATOM 2383 CB SER A 149 -3.308 20.480 2.138 1.00 0.00 C ATOM 2384 OG SER A 149 -2.359 21.526 2.288 1.00 0.00 O ATOM 0 H SER A 149 -5.198 19.257 3.342 1.00 0.00 H new ATOM 0 HA SER A 149 -4.674 22.079 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.136 19.707 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 149 -3.196 20.009 1.162 1.00 0.00 H new ATOM 0 HG SER A 149 -1.454 21.162 2.195 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.354 20.153 0.728 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.026 20.092 -0.597 1.00 0.00 C ATOM 2392 C ILE A 150 -8.077 21.196 -0.685 1.00 0.00 C ATOM 2393 O ILE A 150 -7.796 22.355 -0.463 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.704 18.731 -0.781 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.929 17.651 -0.022 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.714 18.381 -2.269 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.727 16.343 -0.050 1.00 0.00 C ATOM 0 H ILE A 150 -6.694 19.490 1.425 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.280 20.229 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.722 18.781 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.949 17.503 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.759 17.965 1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.195 17.413 -2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.265 19.144 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.690 18.335 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.179 15.571 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.696 16.498 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.874 16.029 -1.083 1.00 0.00 H new