USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 102 MET CE :methyl -142:sc= -0.217 (180deg=-2.77!) USER MOD Set 1.2: A 106 TYR OH : rot 146:sc= -0.0145 USER MOD Set 2.1: A 69 ASN : amide:sc= -0.988! X(o=-4.1!,f=-4.5) USER MOD Set 2.2: A 73 TYR OH : rot 111:sc= 0.745 USER MOD Set 2.3: A 90 MET CE :methyl -171:sc= -3.83 (180deg=-3.95!) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= -5.49! C(o=-5.5!,f=-5.3!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.018 USER MOD Single : A 18 CYS SG : rot -12:sc= -4.1! USER MOD Single : A 19 LYS NZ :NH3+ -142:sc= -0.186 (180deg=-1.7!) USER MOD Single : A 22 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.305 (180deg=-0.968) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 36 SER OG : rot 74:sc= -0.963 USER MOD Single : A 39 ASN : amide:sc= -0.146! C(o=-0.15!,f=-10!) USER MOD Single : A 42 SER OG : rot 107:sc= 0.019 USER MOD Single : A 44 CYS SG : rot 51:sc= -1.44 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -4.38 F(o=-5.5!,f=-4.4) USER MOD Single : A 49 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-6.3!) USER MOD Single : A 57 TYR OH : rot 130:sc= -2.22 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.8! C(o=-3.4!,f=-2.8!) USER MOD Single : A 63 GLN : amide:sc= -11.9! C(o=-12!,f=-17!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.3) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= -0.547 (180deg=-0.979) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0761 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 78:sc= 1.17 USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0641 USER MOD Single : A 107 GLN : amide:sc= -0.0381 K(o=-0.038,f=-0.66) USER MOD Single : A 111 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLN A 12 11.988 1.013 -8.906 1.00 0.00 N ATOM 116 CA GLN A 12 11.013 0.460 -9.839 1.00 0.00 C ATOM 117 C GLN A 12 10.372 -0.802 -9.272 1.00 0.00 C ATOM 118 O GLN A 12 9.175 -1.033 -9.443 1.00 0.00 O ATOM 119 CB GLN A 12 11.678 0.150 -11.181 1.00 0.00 C ATOM 120 CG GLN A 12 10.807 -0.675 -12.115 1.00 0.00 C ATOM 121 CD GLN A 12 11.561 -1.161 -13.338 1.00 0.00 C ATOM 122 OE1 GLN A 12 12.184 -0.374 -14.050 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.507 -2.464 -13.587 1.00 0.00 N ATOM 0 HA GLN A 12 10.232 1.205 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.938 1.087 -11.673 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.610 -0.385 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.410 -1.533 -11.573 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.953 -0.077 -12.433 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.978 -3.080 -12.969 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.994 -2.849 -14.396 1.00 0.00 H new ATOM 132 N SER A 13 11.176 -1.616 -8.596 1.00 0.00 N ATOM 133 CA SER A 13 10.688 -2.858 -8.007 1.00 0.00 C ATOM 134 C SER A 13 9.328 -2.649 -7.349 1.00 0.00 C ATOM 135 O SER A 13 8.311 -3.159 -7.821 1.00 0.00 O ATOM 136 CB SER A 13 11.689 -3.387 -6.978 1.00 0.00 C ATOM 137 OG SER A 13 11.931 -2.429 -5.962 1.00 0.00 O ATOM 0 H SER A 13 12.169 -1.438 -8.442 1.00 0.00 H new ATOM 0 HA SER A 13 10.577 -3.591 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.306 -4.305 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.626 -3.640 -7.474 1.00 0.00 H new ATOM 0 HG SER A 13 12.573 -2.792 -5.316 1.00 0.00 H new ATOM 143 N LEU A 14 9.317 -1.895 -6.255 1.00 0.00 N ATOM 144 CA LEU A 14 8.082 -1.617 -5.530 1.00 0.00 C ATOM 145 C LEU A 14 6.936 -1.332 -6.495 1.00 0.00 C ATOM 146 O LEU A 14 5.927 -2.039 -6.504 1.00 0.00 O ATOM 147 CB LEU A 14 8.277 -0.428 -4.587 1.00 0.00 C ATOM 148 CG LEU A 14 7.199 -0.232 -3.521 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.158 -1.425 -2.579 1.00 0.00 C ATOM 150 CD2 LEU A 14 7.442 1.054 -2.746 1.00 0.00 C ATOM 0 H LEU A 14 10.149 -1.465 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 14 7.828 -2.500 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.238 -0.541 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.335 0.480 -5.187 1.00 0.00 H new ATOM 0 HG LEU A 14 6.232 -0.154 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.385 -1.268 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.935 -2.329 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.125 -1.534 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.665 1.177 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.416 1.007 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.420 1.901 -3.431 1.00 0.00 H new ATOM 162 N LEU A 15 7.098 -0.294 -7.309 1.00 0.00 N ATOM 163 CA LEU A 15 6.078 0.083 -8.281 1.00 0.00 C ATOM 164 C LEU A 15 5.566 -1.140 -9.035 1.00 0.00 C ATOM 165 O LEU A 15 4.410 -1.184 -9.456 1.00 0.00 O ATOM 166 CB LEU A 15 6.640 1.107 -9.268 1.00 0.00 C ATOM 167 CG LEU A 15 5.610 1.926 -10.046 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.241 3.186 -9.279 1.00 0.00 C ATOM 169 CD2 LEU A 15 6.140 2.277 -11.428 1.00 0.00 C ATOM 0 H LEU A 15 7.926 0.301 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 15 5.243 0.529 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.283 1.796 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.273 0.582 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 15 4.711 1.322 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.507 3.756 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.818 2.913 -8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.133 3.793 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.393 2.860 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.055 2.862 -11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.353 1.361 -11.980 1.00 0.00 H new ATOM 181 N VAL A 16 6.434 -2.133 -9.201 1.00 0.00 N ATOM 182 CA VAL A 16 6.069 -3.358 -9.902 1.00 0.00 C ATOM 183 C VAL A 16 5.454 -4.375 -8.947 1.00 0.00 C ATOM 184 O VAL A 16 4.660 -5.223 -9.354 1.00 0.00 O ATOM 185 CB VAL A 16 7.289 -3.994 -10.594 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.893 -5.283 -11.298 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.916 -3.013 -11.574 1.00 0.00 C ATOM 0 H VAL A 16 7.395 -2.113 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 16 5.334 -3.082 -10.658 1.00 0.00 H new ATOM 0 HB VAL A 16 8.030 -4.237 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.768 -5.717 -11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.494 -5.988 -10.569 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.133 -5.069 -12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.777 -3.478 -12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.183 -2.737 -12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.238 -2.120 -11.039 1.00 0.00 H new ATOM 197 N TRP A 17 5.825 -4.283 -7.675 1.00 0.00 N ATOM 198 CA TRP A 17 5.309 -5.195 -6.660 1.00 0.00 C ATOM 199 C TRP A 17 3.825 -4.952 -6.414 1.00 0.00 C ATOM 200 O TRP A 17 3.057 -5.893 -6.213 1.00 0.00 O ATOM 201 CB TRP A 17 6.090 -5.033 -5.355 1.00 0.00 C ATOM 202 CG TRP A 17 5.767 -6.083 -4.336 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.309 -7.334 -4.248 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.827 -5.975 -3.261 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.763 -8.009 -3.183 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.852 -7.197 -2.561 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.969 -4.964 -2.821 1.00 0.00 C ATOM 208 CZ2 TRP A 17 4.050 -7.434 -1.448 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.173 -5.200 -1.716 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.219 -6.426 -1.039 1.00 0.00 C ATOM 0 H TRP A 17 6.481 -3.586 -7.322 1.00 0.00 H new ATOM 0 HA TRP A 17 5.434 -6.214 -7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.158 -5.064 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.879 -4.050 -4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.057 -7.734 -4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.998 -8.961 -2.901 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.928 -4.015 -3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.082 -8.379 -0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.504 -4.426 -1.368 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.586 -6.579 -0.177 1.00 0.00 H new ATOM 221 N CYS A 18 3.427 -3.684 -6.429 1.00 0.00 N ATOM 222 CA CYS A 18 2.033 -3.317 -6.206 1.00 0.00 C ATOM 223 C CYS A 18 1.190 -3.607 -7.444 1.00 0.00 C ATOM 224 O CYS A 18 0.136 -4.238 -7.357 1.00 0.00 O ATOM 225 CB CYS A 18 1.927 -1.837 -5.837 1.00 0.00 C ATOM 226 SG CYS A 18 2.718 -0.722 -7.020 1.00 0.00 S ATOM 0 H CYS A 18 4.050 -2.893 -6.593 1.00 0.00 H new ATOM 0 HA CYS A 18 1.652 -3.918 -5.380 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.874 -1.570 -5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.376 -1.685 -4.855 1.00 0.00 H new ATOM 0 HG CYS A 18 3.457 -1.411 -7.838 1.00 0.00 H new ATOM 232 N LYS A 19 1.660 -3.142 -8.596 1.00 0.00 N ATOM 233 CA LYS A 19 0.951 -3.350 -9.852 1.00 0.00 C ATOM 234 C LYS A 19 0.831 -4.837 -10.170 1.00 0.00 C ATOM 235 O LYS A 19 0.026 -5.238 -11.010 1.00 0.00 O ATOM 236 CB LYS A 19 1.672 -2.630 -10.994 1.00 0.00 C ATOM 237 CG LYS A 19 1.581 -1.116 -10.912 1.00 0.00 C ATOM 238 CD LYS A 19 2.704 -0.448 -11.688 1.00 0.00 C ATOM 239 CE LYS A 19 2.425 -0.447 -13.183 1.00 0.00 C ATOM 240 NZ LYS A 19 2.731 -1.765 -13.805 1.00 0.00 N ATOM 0 H LYS A 19 2.530 -2.618 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.052 -2.937 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.722 -2.923 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.251 -2.960 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.619 -0.786 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.623 -0.804 -9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.829 0.577 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.642 -0.968 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.378 -0.198 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.022 0.329 -13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.152 -1.616 -14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.401 -2.285 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.854 -2.315 -13.902 1.00 0.00 H new ATOM 254 N GLU A 20 1.635 -5.649 -9.491 1.00 0.00 N ATOM 255 CA GLU A 20 1.618 -7.092 -9.702 1.00 0.00 C ATOM 256 C GLU A 20 0.478 -7.742 -8.922 1.00 0.00 C ATOM 257 O GLU A 20 -0.375 -8.418 -9.497 1.00 0.00 O ATOM 258 CB GLU A 20 2.954 -7.707 -9.281 1.00 0.00 C ATOM 259 CG GLU A 20 3.067 -9.190 -9.595 1.00 0.00 C ATOM 260 CD GLU A 20 2.292 -10.054 -8.621 1.00 0.00 C ATOM 261 OE1 GLU A 20 2.604 -10.014 -7.413 1.00 0.00 O ATOM 262 OE2 GLU A 20 1.371 -10.770 -9.067 1.00 0.00 O ATOM 0 H GLU A 20 2.306 -5.333 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 20 1.460 -7.277 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.763 -7.175 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.091 -7.559 -8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.702 -9.372 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.117 -9.482 -9.578 1.00 0.00 H new ATOM 269 N VAL A 21 0.471 -7.532 -7.610 1.00 0.00 N ATOM 270 CA VAL A 21 -0.563 -8.096 -6.750 1.00 0.00 C ATOM 271 C VAL A 21 -1.927 -7.492 -7.064 1.00 0.00 C ATOM 272 O VAL A 21 -2.965 -8.076 -6.750 1.00 0.00 O ATOM 273 CB VAL A 21 -0.242 -7.867 -5.262 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.242 -8.071 -4.997 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.682 -6.476 -4.830 1.00 0.00 C ATOM 0 H VAL A 21 1.170 -6.975 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.589 -9.168 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.795 -8.598 -4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.449 -7.905 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.523 -9.089 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.819 -7.365 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.447 -6.331 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.158 -5.728 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.756 -6.371 -4.980 1.00 0.00 H new ATOM 285 N THR A 22 -1.920 -6.317 -7.686 1.00 0.00 N ATOM 286 CA THR A 22 -3.156 -5.632 -8.041 1.00 0.00 C ATOM 287 C THR A 22 -3.468 -5.796 -9.525 1.00 0.00 C ATOM 288 O THR A 22 -4.110 -4.940 -10.133 1.00 0.00 O ATOM 289 CB THR A 22 -3.084 -4.131 -7.706 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.032 -3.512 -8.455 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.846 -3.919 -6.219 1.00 0.00 C ATOM 0 H THR A 22 -1.071 -5.820 -7.954 1.00 0.00 H new ATOM 0 HA THR A 22 -3.951 -6.089 -7.452 1.00 0.00 H new ATOM 0 HB THR A 22 -4.037 -3.676 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.204 -3.528 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.799 -2.851 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.663 -4.366 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.905 -4.388 -5.931 1.00 0.00 H new ATOM 387 N VAL A 28 -7.213 -0.176 -9.969 1.00 0.00 N ATOM 388 CA VAL A 28 -5.946 -0.067 -9.256 1.00 0.00 C ATOM 389 C VAL A 28 -4.840 0.442 -10.174 1.00 0.00 C ATOM 390 O VAL A 28 -4.361 -0.281 -11.047 1.00 0.00 O ATOM 391 CB VAL A 28 -5.519 -1.421 -8.659 1.00 0.00 C ATOM 392 CG1 VAL A 28 -4.212 -1.280 -7.894 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.615 -1.976 -7.760 1.00 0.00 C ATOM 0 HA VAL A 28 -6.100 0.647 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.359 -2.124 -9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.927 -2.247 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.431 -0.930 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.340 -0.562 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.297 -2.933 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.808 -1.276 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.526 -2.117 -8.342 1.00 0.00 H new ATOM 403 N LYS A 29 -4.439 1.692 -9.970 1.00 0.00 N ATOM 404 CA LYS A 29 -3.388 2.299 -10.778 1.00 0.00 C ATOM 405 C LYS A 29 -2.296 2.893 -9.893 1.00 0.00 C ATOM 406 O LYS A 29 -2.582 3.631 -8.950 1.00 0.00 O ATOM 407 CB LYS A 29 -3.974 3.387 -11.681 1.00 0.00 C ATOM 408 CG LYS A 29 -4.788 4.427 -10.931 1.00 0.00 C ATOM 409 CD LYS A 29 -3.933 5.614 -10.520 1.00 0.00 C ATOM 410 CE LYS A 29 -3.934 6.698 -11.587 1.00 0.00 C ATOM 411 NZ LYS A 29 -3.013 6.371 -12.711 1.00 0.00 N ATOM 0 H LYS A 29 -4.826 2.305 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.946 1.519 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.161 3.886 -12.209 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.605 2.919 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.610 4.770 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.232 3.973 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.306 6.025 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.911 5.282 -10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.945 6.827 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.639 7.648 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.778 7.240 -13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.142 5.947 -12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.476 5.697 -13.354 1.00 0.00 H new ATOM 425 N ILE A 30 -1.046 2.568 -10.205 1.00 0.00 N ATOM 426 CA ILE A 30 0.087 3.072 -9.439 1.00 0.00 C ATOM 427 C ILE A 30 1.032 3.880 -10.323 1.00 0.00 C ATOM 428 O ILE A 30 2.024 3.357 -10.832 1.00 0.00 O ATOM 429 CB ILE A 30 0.875 1.925 -8.779 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.017 1.164 -7.795 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.109 2.467 -8.074 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.760 0.007 -8.424 1.00 0.00 C ATOM 0 H ILE A 30 -0.792 1.958 -10.982 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.320 3.717 -8.661 1.00 0.00 H new ATOM 0 HB ILE A 30 1.199 1.233 -9.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.597 0.789 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.739 1.856 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.655 1.644 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.751 2.968 -8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.806 3.178 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.372 -0.486 -7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.400 0.378 -9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.044 -0.706 -8.833 1.00 0.00 H new ATOM 444 N THR A 31 0.718 5.159 -10.500 1.00 0.00 N ATOM 445 CA THR A 31 1.539 6.041 -11.321 1.00 0.00 C ATOM 446 C THR A 31 2.487 6.868 -10.461 1.00 0.00 C ATOM 447 O THR A 31 3.529 7.322 -10.931 1.00 0.00 O ATOM 448 CB THR A 31 0.670 6.991 -12.166 1.00 0.00 C ATOM 449 OG1 THR A 31 1.504 7.873 -12.926 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.262 7.804 -11.280 1.00 0.00 C ATOM 0 H THR A 31 -0.099 5.608 -10.086 1.00 0.00 H new ATOM 0 HA THR A 31 2.120 5.403 -11.987 1.00 0.00 H new ATOM 0 HB THR A 31 0.066 6.388 -12.845 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.944 8.473 -13.461 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.866 8.468 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.916 7.131 -10.725 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.327 8.397 -10.580 1.00 0.00 H new ATOM 458 N ASN A 32 2.120 7.059 -9.198 1.00 0.00 N ATOM 459 CA ASN A 32 2.939 7.832 -8.272 1.00 0.00 C ATOM 460 C ASN A 32 2.828 7.277 -6.855 1.00 0.00 C ATOM 461 O ASN A 32 1.919 6.507 -6.547 1.00 0.00 O ATOM 462 CB ASN A 32 2.518 9.302 -8.291 1.00 0.00 C ATOM 463 CG ASN A 32 2.142 9.779 -9.681 1.00 0.00 C ATOM 464 OD1 ASN A 32 2.919 9.644 -10.626 1.00 0.00 O ATOM 465 ND2 ASN A 32 0.946 10.339 -9.811 1.00 0.00 N ATOM 0 H ASN A 32 1.260 6.689 -8.792 1.00 0.00 H new ATOM 0 HA ASN A 32 3.978 7.755 -8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.671 9.443 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.333 9.915 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.638 10.678 -10.722 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.335 10.430 -9.000 1.00 0.00 H new ATOM 472 N PHE A 33 3.760 7.675 -5.995 1.00 0.00 N ATOM 473 CA PHE A 33 3.768 7.219 -4.610 1.00 0.00 C ATOM 474 C PHE A 33 3.296 8.324 -3.670 1.00 0.00 C ATOM 475 O PHE A 33 3.848 8.511 -2.585 1.00 0.00 O ATOM 476 CB PHE A 33 5.172 6.759 -4.211 1.00 0.00 C ATOM 477 CG PHE A 33 5.541 5.411 -4.762 1.00 0.00 C ATOM 478 CD1 PHE A 33 5.004 4.255 -4.218 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.424 5.301 -5.824 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.343 3.014 -4.723 1.00 0.00 C ATOM 481 CE2 PHE A 33 6.766 4.062 -6.333 1.00 0.00 C ATOM 482 CZ PHE A 33 6.224 2.918 -5.783 1.00 0.00 C ATOM 0 H PHE A 33 4.520 8.313 -6.233 1.00 0.00 H new ATOM 0 HA PHE A 33 3.080 6.378 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.898 7.495 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.240 6.729 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.313 4.325 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.850 6.193 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.920 2.120 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.457 3.989 -7.160 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.488 1.949 -6.181 1.00 0.00 H new ATOM 492 N THR A 34 2.270 9.056 -4.095 1.00 0.00 N ATOM 493 CA THR A 34 1.724 10.144 -3.294 1.00 0.00 C ATOM 494 C THR A 34 0.202 10.076 -3.239 1.00 0.00 C ATOM 495 O THR A 34 -0.377 9.695 -2.221 1.00 0.00 O ATOM 496 CB THR A 34 2.146 11.517 -3.849 1.00 0.00 C ATOM 497 OG1 THR A 34 1.919 11.565 -5.262 1.00 0.00 O ATOM 498 CG2 THR A 34 3.613 11.792 -3.557 1.00 0.00 C ATOM 0 H THR A 34 1.801 8.914 -4.990 1.00 0.00 H new ATOM 0 HA THR A 34 2.127 10.028 -2.288 1.00 0.00 H new ATOM 0 HB THR A 34 1.545 12.282 -3.358 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.188 12.442 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.887 12.767 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.777 11.784 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.227 11.022 -4.023 1.00 0.00 H new ATOM 506 N THR A 35 -0.442 10.447 -4.341 1.00 0.00 N ATOM 507 CA THR A 35 -1.897 10.428 -4.418 1.00 0.00 C ATOM 508 C THR A 35 -2.417 9.018 -4.675 1.00 0.00 C ATOM 509 O THR A 35 -3.429 8.606 -4.108 1.00 0.00 O ATOM 510 CB THR A 35 -2.413 11.363 -5.528 1.00 0.00 C ATOM 511 OG1 THR A 35 -2.057 10.841 -6.813 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.839 12.763 -5.367 1.00 0.00 C ATOM 0 H THR A 35 0.021 10.764 -5.192 1.00 0.00 H new ATOM 0 HA THR A 35 -2.268 10.779 -3.455 1.00 0.00 H new ATOM 0 HB THR A 35 -3.498 11.421 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.390 11.440 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.218 13.405 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.136 13.169 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.751 12.719 -5.423 1.00 0.00 H new ATOM 520 N SER A 36 -1.717 8.282 -5.532 1.00 0.00 N ATOM 521 CA SER A 36 -2.109 6.918 -5.867 1.00 0.00 C ATOM 522 C SER A 36 -2.476 6.135 -4.610 1.00 0.00 C ATOM 523 O SER A 36 -3.326 5.245 -4.646 1.00 0.00 O ATOM 524 CB SER A 36 -0.978 6.208 -6.612 1.00 0.00 C ATOM 525 OG SER A 36 -1.442 5.022 -7.234 1.00 0.00 O ATOM 0 H SER A 36 -0.875 8.607 -6.007 1.00 0.00 H new ATOM 0 HA SER A 36 -2.985 6.966 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.558 6.876 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.175 5.967 -5.916 1.00 0.00 H new ATOM 0 HG SER A 36 -1.978 5.254 -8.021 1.00 0.00 H new ATOM 531 N TRP A 37 -1.829 6.472 -3.500 1.00 0.00 N ATOM 532 CA TRP A 37 -2.086 5.801 -2.231 1.00 0.00 C ATOM 533 C TRP A 37 -2.909 6.687 -1.304 1.00 0.00 C ATOM 534 O TRP A 37 -3.553 6.200 -0.374 1.00 0.00 O ATOM 535 CB TRP A 37 -0.767 5.420 -1.556 1.00 0.00 C ATOM 536 CG TRP A 37 0.181 4.701 -2.467 1.00 0.00 C ATOM 537 CD1 TRP A 37 1.067 5.266 -3.339 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.336 3.283 -2.597 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.763 4.286 -4.004 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.334 3.061 -3.566 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.270 2.181 -1.988 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.737 1.781 -3.938 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.131 0.912 -2.359 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.127 0.720 -3.326 1.00 0.00 C ATOM 0 H TRP A 37 -1.122 7.206 -3.453 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.656 4.895 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.285 6.323 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.978 4.789 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.201 6.328 -3.485 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.482 4.445 -4.709 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.038 2.319 -1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.504 1.631 -4.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.331 0.053 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.419 -0.285 -3.593 1.00 0.00 H new ATOM 555 N ARG A 38 -2.884 7.991 -1.562 1.00 0.00 N ATOM 556 CA ARG A 38 -3.628 8.945 -0.748 1.00 0.00 C ATOM 557 C ARG A 38 -4.999 8.389 -0.375 1.00 0.00 C ATOM 558 O ARG A 38 -5.463 8.559 0.751 1.00 0.00 O ATOM 559 CB ARG A 38 -3.790 10.269 -1.497 1.00 0.00 C ATOM 560 CG ARG A 38 -4.947 11.116 -0.994 1.00 0.00 C ATOM 561 CD ARG A 38 -4.681 12.600 -1.198 1.00 0.00 C ATOM 562 NE ARG A 38 -5.918 13.374 -1.256 1.00 0.00 N ATOM 563 CZ ARG A 38 -6.765 13.331 -2.279 1.00 0.00 C ATOM 564 NH1 ARG A 38 -6.510 12.554 -3.322 1.00 0.00 N ATOM 565 NH2 ARG A 38 -7.869 14.066 -2.258 1.00 0.00 N ATOM 0 H ARG A 38 -2.357 8.411 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.064 9.120 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.867 10.842 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.937 10.061 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.861 10.834 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.112 10.917 0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.058 12.972 -0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.119 12.744 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.144 13.981 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.662 11.987 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.162 12.523 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.068 14.665 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.519 14.033 -3.043 1.00 0.00 H new ATOM 579 N ASN A 39 -5.642 7.724 -1.330 1.00 0.00 N ATOM 580 CA ASN A 39 -6.961 7.144 -1.102 1.00 0.00 C ATOM 581 C ASN A 39 -6.860 5.883 -0.249 1.00 0.00 C ATOM 582 O ASN A 39 -7.476 5.787 0.812 1.00 0.00 O ATOM 583 CB ASN A 39 -7.635 6.818 -2.436 1.00 0.00 C ATOM 584 CG ASN A 39 -6.678 6.186 -3.428 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.472 6.126 -3.192 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.215 5.709 -4.546 1.00 0.00 N ATOM 0 H ASN A 39 -5.271 7.574 -2.268 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.565 7.876 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.472 6.142 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.047 7.732 -2.864 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.621 5.271 -5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.221 5.781 -4.700 1.00 0.00 H new ATOM 593 N GLY A 40 -6.077 4.917 -0.720 1.00 0.00 N ATOM 594 CA GLY A 40 -5.909 3.675 0.012 1.00 0.00 C ATOM 595 C GLY A 40 -6.127 2.454 -0.860 1.00 0.00 C ATOM 596 O GLY A 40 -5.642 1.366 -0.550 1.00 0.00 O ATOM 0 H GLY A 40 -5.556 4.972 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.906 3.640 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.609 3.651 0.847 1.00 0.00 H new ATOM 600 N LEU A 41 -6.859 2.634 -1.954 1.00 0.00 N ATOM 601 CA LEU A 41 -7.143 1.537 -2.874 1.00 0.00 C ATOM 602 C LEU A 41 -5.928 0.628 -3.027 1.00 0.00 C ATOM 603 O LEU A 41 -6.018 -0.584 -2.827 1.00 0.00 O ATOM 604 CB LEU A 41 -7.559 2.086 -4.240 1.00 0.00 C ATOM 605 CG LEU A 41 -8.921 2.778 -4.299 1.00 0.00 C ATOM 606 CD1 LEU A 41 -9.382 2.927 -5.740 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.948 2.003 -3.486 1.00 0.00 C ATOM 0 H LEU A 41 -7.267 3.529 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.963 0.950 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.799 2.794 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.561 1.263 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.821 3.774 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.353 3.422 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.658 3.525 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.466 1.942 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.912 2.510 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.045 0.995 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.623 1.949 -2.447 1.00 0.00 H new ATOM 619 N SER A 42 -4.792 1.220 -3.380 1.00 0.00 N ATOM 620 CA SER A 42 -3.559 0.463 -3.562 1.00 0.00 C ATOM 621 C SER A 42 -3.174 -0.264 -2.277 1.00 0.00 C ATOM 622 O SER A 42 -2.748 -1.419 -2.308 1.00 0.00 O ATOM 623 CB SER A 42 -2.423 1.393 -3.994 1.00 0.00 C ATOM 624 OG SER A 42 -2.732 2.041 -5.216 1.00 0.00 O ATOM 0 H SER A 42 -4.700 2.222 -3.546 1.00 0.00 H new ATOM 0 HA SER A 42 -3.729 -0.278 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.244 2.138 -3.219 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.502 0.820 -4.105 1.00 0.00 H new ATOM 0 HG SER A 42 -2.941 2.983 -5.043 1.00 0.00 H new ATOM 630 N PHE A 43 -3.329 0.420 -1.148 1.00 0.00 N ATOM 631 CA PHE A 43 -2.997 -0.160 0.148 1.00 0.00 C ATOM 632 C PHE A 43 -3.840 -1.403 0.420 1.00 0.00 C ATOM 633 O PHE A 43 -3.311 -2.461 0.762 1.00 0.00 O ATOM 634 CB PHE A 43 -3.212 0.869 1.261 1.00 0.00 C ATOM 635 CG PHE A 43 -2.047 1.798 1.451 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.753 1.305 1.507 1.00 0.00 C ATOM 637 CD2 PHE A 43 -2.246 3.163 1.573 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.320 2.158 1.683 1.00 0.00 C ATOM 639 CE2 PHE A 43 -1.176 4.021 1.749 1.00 0.00 C ATOM 640 CZ PHE A 43 0.109 3.517 1.803 1.00 0.00 C ATOM 0 H PHE A 43 -3.682 1.376 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.947 -0.452 0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.102 1.456 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.405 0.345 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.581 0.243 1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.249 3.562 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.324 1.761 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.345 5.083 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.947 4.185 1.939 1.00 0.00 H new ATOM 650 N CYS A 44 -5.152 -1.266 0.266 1.00 0.00 N ATOM 651 CA CYS A 44 -6.069 -2.376 0.496 1.00 0.00 C ATOM 652 C CYS A 44 -5.887 -3.459 -0.563 1.00 0.00 C ATOM 653 O CYS A 44 -5.577 -4.607 -0.244 1.00 0.00 O ATOM 654 CB CYS A 44 -7.516 -1.880 0.492 1.00 0.00 C ATOM 655 SG CYS A 44 -7.953 -0.870 1.926 1.00 0.00 S ATOM 0 H CYS A 44 -5.605 -0.397 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.843 -2.805 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.687 -1.299 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.184 -2.740 0.450 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.066 0.067 2.084 1.00 0.00 H new ATOM 661 N ALA A 45 -6.085 -3.087 -1.823 1.00 0.00 N ATOM 662 CA ALA A 45 -5.943 -4.026 -2.929 1.00 0.00 C ATOM 663 C ALA A 45 -4.834 -5.035 -2.652 1.00 0.00 C ATOM 664 O ALA A 45 -5.024 -6.241 -2.814 1.00 0.00 O ATOM 665 CB ALA A 45 -5.668 -3.278 -4.224 1.00 0.00 C ATOM 0 H ALA A 45 -6.344 -2.141 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.880 -4.574 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.564 -3.992 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.496 -2.601 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.747 -2.704 -4.124 1.00 0.00 H new ATOM 671 N ILE A 46 -3.676 -4.535 -2.235 1.00 0.00 N ATOM 672 CA ILE A 46 -2.536 -5.394 -1.936 1.00 0.00 C ATOM 673 C ILE A 46 -2.906 -6.461 -0.911 1.00 0.00 C ATOM 674 O ILE A 46 -2.816 -7.658 -1.185 1.00 0.00 O ATOM 675 CB ILE A 46 -1.342 -4.580 -1.405 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.775 -3.685 -2.509 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.265 -5.509 -0.865 1.00 0.00 C ATOM 678 CD1 ILE A 46 0.156 -2.609 -1.997 1.00 0.00 C ATOM 0 H ILE A 46 -3.502 -3.540 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.250 -5.875 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.689 -3.945 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.240 -4.305 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.600 -3.215 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.572 -4.918 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.675 -6.108 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.081 -6.167 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.519 -2.014 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.380 -1.965 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.001 -3.072 -1.487 1.00 0.00 H new ATOM 690 N LEU A 47 -3.324 -6.019 0.269 1.00 0.00 N ATOM 691 CA LEU A 47 -3.711 -6.935 1.336 1.00 0.00 C ATOM 692 C LEU A 47 -4.810 -7.884 0.868 1.00 0.00 C ATOM 693 O LEU A 47 -4.973 -8.978 1.410 1.00 0.00 O ATOM 694 CB LEU A 47 -4.185 -6.152 2.562 1.00 0.00 C ATOM 695 CG LEU A 47 -4.459 -6.976 3.820 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.188 -7.663 4.296 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.035 -6.096 4.919 1.00 0.00 C ATOM 0 H LEU A 47 -3.404 -5.032 0.512 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.837 -7.527 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.433 -5.400 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.097 -5.617 2.296 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.193 -7.744 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.403 -8.245 5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.818 -8.325 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.432 -6.912 4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.224 -6.699 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.325 -5.305 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.970 -5.652 4.577 1.00 0.00 H new ATOM 709 N HIS A 48 -5.560 -7.459 -0.143 1.00 0.00 N ATOM 710 CA HIS A 48 -6.642 -8.272 -0.687 1.00 0.00 C ATOM 711 C HIS A 48 -6.091 -9.405 -1.547 1.00 0.00 C ATOM 712 O HIS A 48 -6.658 -10.497 -1.590 1.00 0.00 O ATOM 713 CB HIS A 48 -7.593 -7.405 -1.513 1.00 0.00 C ATOM 714 CG HIS A 48 -8.974 -7.975 -1.630 1.00 0.00 C ATOM 715 ND1 HIS A 48 -10.009 -7.973 -0.758 1.00 0.00 N flip ATOM 716 CD2 HIS A 48 -9.419 -8.646 -2.750 1.00 0.00 C flip ATOM 717 CE1 HIS A 48 -11.050 -8.634 -1.361 1.00 0.00 C flip ATOM 718 NE2 HIS A 48 -10.669 -9.030 -2.562 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.439 -6.556 -0.602 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.191 -8.708 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.654 -6.415 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.177 -7.274 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.837 -8.829 -3.641 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.023 -8.803 -0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.242 -9.545 -3.231 1.00 0.00 H new ATOM 727 N HIS A 49 -4.983 -9.138 -2.230 1.00 0.00 N ATOM 728 CA HIS A 49 -4.355 -10.136 -3.089 1.00 0.00 C ATOM 729 C HIS A 49 -4.066 -11.417 -2.312 1.00 0.00 C ATOM 730 O HIS A 49 -4.367 -12.517 -2.775 1.00 0.00 O ATOM 731 CB HIS A 49 -3.060 -9.584 -3.686 1.00 0.00 C ATOM 732 CG HIS A 49 -2.617 -10.302 -4.923 1.00 0.00 C ATOM 733 ND1 HIS A 49 -3.434 -10.489 -6.019 1.00 0.00 N ATOM 734 CD2 HIS A 49 -1.433 -10.880 -5.236 1.00 0.00 C ATOM 735 CE1 HIS A 49 -2.772 -11.152 -6.950 1.00 0.00 C ATOM 736 NE2 HIS A 49 -1.556 -11.401 -6.500 1.00 0.00 N ATOM 0 H HIS A 49 -4.501 -8.239 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.047 -10.371 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.198 -8.528 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.270 -9.645 -2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.555 -10.923 -4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.160 -11.441 -7.916 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.826 -11.900 -7.009 1.00 0.00 H new ATOM 745 N PHE A 50 -3.479 -11.266 -1.130 1.00 0.00 N ATOM 746 CA PHE A 50 -3.147 -12.410 -0.289 1.00 0.00 C ATOM 747 C PHE A 50 -4.403 -13.005 0.341 1.00 0.00 C ATOM 748 O PHE A 50 -4.579 -14.223 0.368 1.00 0.00 O ATOM 749 CB PHE A 50 -2.160 -11.998 0.805 1.00 0.00 C ATOM 750 CG PHE A 50 -1.003 -11.188 0.295 1.00 0.00 C ATOM 751 CD1 PHE A 50 -1.107 -9.813 0.163 1.00 0.00 C ATOM 752 CD2 PHE A 50 0.189 -11.803 -0.054 1.00 0.00 C ATOM 753 CE1 PHE A 50 -0.043 -9.066 -0.307 1.00 0.00 C ATOM 754 CE2 PHE A 50 1.256 -11.061 -0.524 1.00 0.00 C ATOM 755 CZ PHE A 50 1.140 -9.690 -0.650 1.00 0.00 C ATOM 0 H PHE A 50 -3.223 -10.362 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.683 -13.169 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.690 -11.422 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.778 -12.894 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.030 -9.319 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.285 -12.874 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.137 -7.995 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.180 -11.552 -0.793 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.973 -9.108 -1.016 1.00 0.00 H new ATOM 765 N ARG A 51 -5.272 -12.136 0.846 1.00 0.00 N ATOM 766 CA ARG A 51 -6.511 -12.574 1.477 1.00 0.00 C ATOM 767 C ARG A 51 -7.649 -11.603 1.175 1.00 0.00 C ATOM 768 O ARG A 51 -7.717 -10.501 1.719 1.00 0.00 O ATOM 769 CB ARG A 51 -6.321 -12.699 2.990 1.00 0.00 C ATOM 770 CG ARG A 51 -5.919 -14.094 3.440 1.00 0.00 C ATOM 771 CD ARG A 51 -7.064 -15.083 3.282 1.00 0.00 C ATOM 772 NE ARG A 51 -8.178 -14.778 4.176 1.00 0.00 N ATOM 773 CZ ARG A 51 -9.097 -15.667 4.534 1.00 0.00 C ATOM 774 NH1 ARG A 51 -9.036 -16.910 4.076 1.00 0.00 N ATOM 775 NH2 ARG A 51 -10.081 -15.314 5.352 1.00 0.00 N ATOM 0 H ARG A 51 -5.141 -11.125 0.831 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.772 -13.550 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.559 -11.989 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.249 -12.419 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.062 -14.432 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.604 -14.064 4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.414 -15.071 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.703 -16.091 3.484 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.254 -13.830 4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.282 -17.185 3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.743 -17.591 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.132 -14.359 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.786 -15.998 5.626 1.00 0.00 H new ATOM 789 N PRO A 52 -8.563 -12.020 0.287 1.00 0.00 N ATOM 790 CA PRO A 52 -9.714 -11.202 -0.108 1.00 0.00 C ATOM 791 C PRO A 52 -10.732 -11.053 1.018 1.00 0.00 C ATOM 792 O PRO A 52 -11.787 -10.445 0.837 1.00 0.00 O ATOM 793 CB PRO A 52 -10.320 -11.983 -1.277 1.00 0.00 C ATOM 794 CG PRO A 52 -9.899 -13.394 -1.048 1.00 0.00 C ATOM 795 CD PRO A 52 -8.544 -13.322 -0.400 1.00 0.00 C ATOM 0 HA PRO A 52 -9.422 -10.184 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.406 -11.892 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.954 -11.611 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.611 -13.914 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.854 -13.945 -1.987 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.389 -14.143 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.743 -13.376 -1.137 1.00 0.00 H new ATOM 803 N ASP A 53 -10.409 -11.611 2.179 1.00 0.00 N ATOM 804 CA ASP A 53 -11.295 -11.538 3.335 1.00 0.00 C ATOM 805 C ASP A 53 -10.767 -10.542 4.363 1.00 0.00 C ATOM 806 O ASP A 53 -11.529 -9.763 4.937 1.00 0.00 O ATOM 807 CB ASP A 53 -11.447 -12.918 3.976 1.00 0.00 C ATOM 808 CG ASP A 53 -12.588 -13.714 3.372 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.725 -13.197 3.347 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.343 -14.853 2.923 1.00 0.00 O ATOM 0 H ASP A 53 -9.540 -12.119 2.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.271 -11.196 2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.517 -13.475 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.616 -12.802 5.047 1.00 0.00 H new ATOM 815 N LEU A 54 -9.459 -10.574 4.592 1.00 0.00 N ATOM 816 CA LEU A 54 -8.828 -9.674 5.551 1.00 0.00 C ATOM 817 C LEU A 54 -9.402 -8.266 5.437 1.00 0.00 C ATOM 818 O LEU A 54 -9.523 -7.552 6.433 1.00 0.00 O ATOM 819 CB LEU A 54 -7.315 -9.640 5.330 1.00 0.00 C ATOM 820 CG LEU A 54 -6.498 -10.667 6.114 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.030 -10.594 5.721 1.00 0.00 C ATOM 822 CD2 LEU A 54 -6.663 -10.449 7.611 1.00 0.00 C ATOM 0 H LEU A 54 -8.815 -11.213 4.127 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.034 -10.050 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.120 -9.785 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.953 -8.645 5.587 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.869 -11.662 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.464 -11.332 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.928 -10.800 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.645 -9.597 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.075 -11.189 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.319 -9.449 7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.714 -10.553 7.880 1.00 0.00 H new ATOM 834 N ILE A 55 -9.757 -7.874 4.218 1.00 0.00 N ATOM 835 CA ILE A 55 -10.322 -6.553 3.975 1.00 0.00 C ATOM 836 C ILE A 55 -11.665 -6.652 3.261 1.00 0.00 C ATOM 837 O ILE A 55 -12.178 -7.748 3.030 1.00 0.00 O ATOM 838 CB ILE A 55 -9.370 -5.680 3.136 1.00 0.00 C ATOM 839 CG1 ILE A 55 -7.919 -6.109 3.358 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.553 -4.210 3.486 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.446 -7.168 2.386 1.00 0.00 C ATOM 0 H ILE A 55 -9.663 -8.453 3.383 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.466 -6.087 4.950 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.611 -5.816 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.273 -5.235 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.812 -6.487 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.874 -3.606 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.581 -3.912 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.335 -4.058 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.409 -7.424 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.068 -8.058 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.520 -6.787 1.368 1.00 0.00 H new ATOM 853 N ASP A 56 -12.230 -5.502 2.912 1.00 0.00 N ATOM 854 CA ASP A 56 -13.514 -5.459 2.220 1.00 0.00 C ATOM 855 C ASP A 56 -13.367 -4.823 0.842 1.00 0.00 C ATOM 856 O ASP A 56 -14.317 -4.251 0.306 1.00 0.00 O ATOM 857 CB ASP A 56 -14.537 -4.681 3.049 1.00 0.00 C ATOM 858 CG ASP A 56 -15.203 -5.542 4.104 1.00 0.00 C ATOM 859 OD1 ASP A 56 -15.440 -6.737 3.832 1.00 0.00 O ATOM 860 OD2 ASP A 56 -15.485 -5.020 5.203 1.00 0.00 O ATOM 0 H ASP A 56 -11.820 -4.587 3.097 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.865 -6.483 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.043 -3.837 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.299 -4.269 2.387 1.00 0.00 H new ATOM 865 N TYR A 57 -12.171 -4.925 0.273 1.00 0.00 N ATOM 866 CA TYR A 57 -11.899 -4.357 -1.042 1.00 0.00 C ATOM 867 C TYR A 57 -12.930 -4.828 -2.063 1.00 0.00 C ATOM 868 O TYR A 57 -13.112 -4.208 -3.111 1.00 0.00 O ATOM 869 CB TYR A 57 -10.493 -4.740 -1.506 1.00 0.00 C ATOM 870 CG TYR A 57 -10.020 -3.962 -2.713 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.528 -4.229 -3.979 1.00 0.00 C ATOM 872 CD2 TYR A 57 -9.066 -2.960 -2.588 1.00 0.00 C ATOM 873 CE1 TYR A 57 -10.098 -3.522 -5.084 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.632 -2.246 -3.689 1.00 0.00 C ATOM 875 CZ TYR A 57 -9.150 -2.531 -4.934 1.00 0.00 C ATOM 876 OH TYR A 57 -8.721 -1.823 -6.034 1.00 0.00 O ATOM 0 H TYR A 57 -11.374 -5.396 0.702 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.964 -3.272 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.793 -4.582 -0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.474 -5.804 -1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.272 -5.003 -4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.657 -2.735 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.502 -3.744 -6.061 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.891 -1.469 -3.574 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.769 -0.863 -5.844 1.00 0.00 H new ATOM 886 N LYS A 58 -13.602 -5.931 -1.750 1.00 0.00 N ATOM 887 CA LYS A 58 -14.616 -6.487 -2.637 1.00 0.00 C ATOM 888 C LYS A 58 -15.755 -5.495 -2.851 1.00 0.00 C ATOM 889 O LYS A 58 -16.433 -5.527 -3.878 1.00 0.00 O ATOM 890 CB LYS A 58 -15.166 -7.794 -2.060 1.00 0.00 C ATOM 891 CG LYS A 58 -15.799 -7.635 -0.689 1.00 0.00 C ATOM 892 CD LYS A 58 -15.895 -8.966 0.038 1.00 0.00 C ATOM 893 CE LYS A 58 -17.006 -9.834 -0.532 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.735 -11.284 -0.330 1.00 0.00 N ATOM 0 H LYS A 58 -13.462 -6.458 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.148 -6.690 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.907 -8.202 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.357 -8.522 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.211 -6.936 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.795 -7.204 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.944 -9.493 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.077 -8.790 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.952 -9.572 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.116 -9.630 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.515 -11.842 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.846 -11.540 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.655 -11.484 0.687 1.00 0.00 H new ATOM 908 N SER A 59 -15.958 -4.615 -1.877 1.00 0.00 N ATOM 909 CA SER A 59 -17.016 -3.615 -1.958 1.00 0.00 C ATOM 910 C SER A 59 -16.492 -2.236 -1.571 1.00 0.00 C ATOM 911 O SER A 59 -17.215 -1.423 -0.994 1.00 0.00 O ATOM 912 CB SER A 59 -18.184 -4.002 -1.049 1.00 0.00 C ATOM 913 OG SER A 59 -19.056 -4.911 -1.699 1.00 0.00 O ATOM 0 H SER A 59 -15.404 -4.574 -1.022 1.00 0.00 H new ATOM 0 HA SER A 59 -17.365 -3.575 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.802 -4.452 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.736 -3.108 -0.760 1.00 0.00 H new ATOM 0 HG SER A 59 -19.793 -5.144 -1.097 1.00 0.00 H new ATOM 919 N LEU A 60 -15.228 -1.979 -1.892 1.00 0.00 N ATOM 920 CA LEU A 60 -14.605 -0.698 -1.579 1.00 0.00 C ATOM 921 C LEU A 60 -14.689 0.254 -2.767 1.00 0.00 C ATOM 922 O LEU A 60 -15.300 -0.063 -3.787 1.00 0.00 O ATOM 923 CB LEU A 60 -13.143 -0.905 -1.179 1.00 0.00 C ATOM 924 CG LEU A 60 -12.897 -1.344 0.265 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.429 -1.184 0.630 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.775 -0.549 1.221 1.00 0.00 C ATOM 0 H LEU A 60 -14.615 -2.641 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.145 -0.254 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.708 -1.651 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.605 0.027 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.159 -2.398 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.274 -1.501 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.820 -1.797 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.140 -0.138 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.587 -0.875 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.544 0.512 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.824 -0.715 0.975 1.00 0.00 H new ATOM 938 N ASN A 61 -14.069 1.422 -2.629 1.00 0.00 N ATOM 939 CA ASN A 61 -14.073 2.420 -3.692 1.00 0.00 C ATOM 940 C ASN A 61 -13.131 3.573 -3.358 1.00 0.00 C ATOM 941 O ASN A 61 -12.771 3.799 -2.203 1.00 0.00 O ATOM 942 CB ASN A 61 -15.490 2.952 -3.915 1.00 0.00 C ATOM 943 CG ASN A 61 -16.295 2.076 -4.856 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.705 1.734 -5.995 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.433 1.712 -4.561 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.558 1.700 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.724 1.942 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.005 3.020 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.436 3.962 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.847 1.999 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.963 1.123 -5.203 1.00 0.00 H new ATOM 952 N PRO A 62 -12.723 4.322 -4.394 1.00 0.00 N ATOM 953 CA PRO A 62 -11.819 5.465 -4.236 1.00 0.00 C ATOM 954 C PRO A 62 -12.486 6.638 -3.525 1.00 0.00 C ATOM 955 O PRO A 62 -11.886 7.701 -3.367 1.00 0.00 O ATOM 956 CB PRO A 62 -11.470 5.843 -5.678 1.00 0.00 C ATOM 957 CG PRO A 62 -12.621 5.353 -6.487 1.00 0.00 C ATOM 958 CD PRO A 62 -13.113 4.110 -5.798 1.00 0.00 C ATOM 0 HA PRO A 62 -10.952 5.217 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.341 6.920 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.537 5.377 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.407 6.106 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.314 5.136 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.192 3.993 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.653 3.212 -6.212 1.00 0.00 H new ATOM 966 N GLN A 63 -13.728 6.436 -3.098 1.00 0.00 N ATOM 967 CA GLN A 63 -14.475 7.477 -2.403 1.00 0.00 C ATOM 968 C GLN A 63 -14.045 7.575 -0.944 1.00 0.00 C ATOM 969 O GLN A 63 -14.308 8.575 -0.274 1.00 0.00 O ATOM 970 CB GLN A 63 -15.977 7.199 -2.487 1.00 0.00 C ATOM 971 CG GLN A 63 -16.358 5.787 -2.072 1.00 0.00 C ATOM 972 CD GLN A 63 -15.875 5.437 -0.678 1.00 0.00 C ATOM 973 OE1 GLN A 63 -15.937 6.259 0.237 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.389 4.213 -0.510 1.00 0.00 N ATOM 0 H GLN A 63 -14.238 5.561 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.261 8.428 -2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.506 7.910 -1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.314 7.372 -3.509 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.442 5.680 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.940 5.077 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.357 3.565 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.048 3.921 0.406 1.00 0.00 H new ATOM 983 N ASP A 64 -13.382 6.532 -0.457 1.00 0.00 N ATOM 984 CA ASP A 64 -12.914 6.501 0.924 1.00 0.00 C ATOM 985 C ASP A 64 -11.402 6.697 0.990 1.00 0.00 C ATOM 986 O ASP A 64 -10.637 5.860 0.513 1.00 0.00 O ATOM 987 CB ASP A 64 -13.298 5.176 1.585 1.00 0.00 C ATOM 988 CG ASP A 64 -14.682 5.217 2.203 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.132 6.320 2.579 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.315 4.147 2.310 1.00 0.00 O ATOM 0 H ASP A 64 -13.156 5.697 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.392 7.319 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.258 4.378 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.566 4.932 2.355 1.00 0.00 H new ATOM 995 N ILE A 65 -10.981 7.809 1.584 1.00 0.00 N ATOM 996 CA ILE A 65 -9.561 8.114 1.712 1.00 0.00 C ATOM 997 C ILE A 65 -9.032 7.703 3.081 1.00 0.00 C ATOM 998 O ILE A 65 -7.999 7.040 3.186 1.00 0.00 O ATOM 999 CB ILE A 65 -9.287 9.615 1.498 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.761 10.049 0.109 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.806 9.913 1.675 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.425 11.486 -0.222 1.00 0.00 C ATOM 0 H ILE A 65 -11.602 8.513 1.984 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.045 7.544 0.940 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.844 10.181 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.311 9.397 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.840 9.912 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.628 10.977 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.497 9.636 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.230 9.340 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.791 11.724 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.898 12.147 0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.344 11.624 -0.189 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.746 8.098 4.129 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.351 7.768 5.493 1.00 0.00 C ATOM 1016 C LYS A 66 -9.632 6.301 5.801 1.00 0.00 C ATOM 1017 O LYS A 66 -8.753 5.576 6.267 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.093 8.661 6.491 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.362 8.837 7.810 1.00 0.00 C ATOM 1020 CD LYS A 66 -9.780 10.117 8.513 1.00 0.00 C ATOM 1021 CE LYS A 66 -11.212 10.033 9.019 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.714 11.356 9.484 1.00 0.00 N ATOM 0 H LYS A 66 -10.602 8.648 4.060 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.279 7.942 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.253 9.641 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.077 8.235 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.565 7.983 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.287 8.853 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.108 10.310 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.684 10.958 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.857 9.659 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.266 9.316 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.693 11.257 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.114 11.702 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.686 12.034 8.696 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.861 5.870 5.536 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.256 4.488 5.785 1.00 0.00 C ATOM 1038 C GLU A 67 -10.348 3.519 5.033 1.00 0.00 C ATOM 1039 O GLU A 67 -9.627 2.729 5.641 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.712 4.267 5.369 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.222 2.866 5.658 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.449 2.511 4.841 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.557 2.950 5.215 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -14.302 1.795 3.829 1.00 0.00 O ATOM 0 H GLU A 67 -11.600 6.457 5.149 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.158 4.296 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.343 4.988 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.811 4.467 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.431 2.146 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.459 2.782 6.718 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.390 3.586 3.707 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.572 2.714 2.871 1.00 0.00 C ATOM 1053 C ASN A 68 -8.206 2.476 3.507 1.00 0.00 C ATOM 1054 O ASN A 68 -7.762 1.336 3.638 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.399 3.324 1.478 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.628 3.139 0.609 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.669 2.678 1.077 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.512 3.498 -0.664 1.00 0.00 N ATOM 0 H ASN A 68 -10.981 4.235 3.188 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.083 1.755 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.183 4.388 1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.539 2.867 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.305 3.396 -1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.630 3.876 -1.009 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.546 3.559 3.901 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.230 3.468 4.524 1.00 0.00 C ATOM 1067 C ASN A 69 -6.311 2.738 5.862 1.00 0.00 C ATOM 1068 O ASN A 69 -5.516 1.840 6.141 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.641 4.865 4.728 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.893 5.361 3.506 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.669 5.491 3.524 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.627 5.640 2.435 1.00 0.00 N ATOM 0 H ASN A 69 -7.900 4.510 3.800 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.579 2.900 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.443 5.563 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.965 4.850 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.179 5.977 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.639 5.518 2.464 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.277 3.130 6.686 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.465 2.513 7.993 1.00 0.00 C ATOM 1081 C LYS A 70 -7.614 1.000 7.865 1.00 0.00 C ATOM 1082 O LYS A 70 -6.913 0.238 8.532 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.697 3.100 8.685 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.982 2.486 10.045 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.080 3.068 11.120 1.00 0.00 C ATOM 1086 CE LYS A 70 -8.578 2.720 12.514 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.709 3.594 12.933 1.00 0.00 N ATOM 0 H LYS A 70 -7.942 3.873 6.471 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.582 2.724 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.559 4.175 8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.566 2.958 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.025 2.658 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.840 1.406 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.066 2.690 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.033 4.151 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.897 1.678 12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.760 2.818 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.020 3.325 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.398 4.586 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.500 3.481 12.267 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.529 0.571 7.003 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.768 -0.850 6.784 1.00 0.00 C ATOM 1103 C LYS A 71 -7.453 -1.603 6.608 1.00 0.00 C ATOM 1104 O LYS A 71 -7.305 -2.730 7.079 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.654 -1.056 5.553 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.917 -0.212 5.564 1.00 0.00 C ATOM 1107 CD LYS A 71 -12.053 -0.898 4.826 1.00 0.00 C ATOM 1108 CE LYS A 71 -12.879 -1.770 5.760 1.00 0.00 C ATOM 1109 NZ LYS A 71 -12.137 -2.991 6.179 1.00 0.00 N ATOM 0 H LYS A 71 -9.118 1.188 6.444 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.278 -1.246 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.078 -0.821 4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.931 -2.108 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.216 -0.017 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.714 0.754 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.695 -0.147 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.648 -1.509 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.158 -1.194 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.804 -2.060 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.812 -3.714 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.593 -3.361 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.487 -2.753 6.955 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.501 -0.971 5.930 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.198 -1.580 5.696 1.00 0.00 C ATOM 1125 C ALA A 72 -4.395 -1.673 6.989 1.00 0.00 C ATOM 1126 O ALA A 72 -4.173 -2.764 7.516 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.426 -0.789 4.650 1.00 0.00 C ATOM 0 H ALA A 72 -6.608 -0.037 5.533 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.359 -2.592 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.455 -1.255 4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.987 -0.778 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.283 0.234 4.999 1.00 0.00 H new ATOM 1133 N TYR A 73 -3.963 -0.524 7.496 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.182 -0.477 8.726 1.00 0.00 C ATOM 1135 C TYR A 73 -3.653 -1.543 9.711 1.00 0.00 C ATOM 1136 O TYR A 73 -2.843 -2.204 10.363 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.285 0.907 9.368 1.00 0.00 C ATOM 1138 CG TYR A 73 -2.936 2.038 8.427 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -1.782 1.994 7.655 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.759 3.151 8.312 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.458 3.025 6.794 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.444 4.187 7.453 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.293 4.119 6.697 1.00 0.00 C ATOM 1144 OH TYR A 73 -1.975 5.149 5.841 1.00 0.00 O ATOM 0 H TYR A 73 -4.141 0.388 7.074 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.141 -0.676 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.300 1.053 9.737 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.623 0.947 10.233 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.126 1.139 7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.661 3.208 8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.557 2.975 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.096 5.045 7.374 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.614 5.166 5.098 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.967 -1.705 9.813 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.548 -2.692 10.717 1.00 0.00 C ATOM 1156 C ASP A 74 -5.147 -4.106 10.308 1.00 0.00 C ATOM 1157 O ASP A 74 -4.769 -4.922 11.148 1.00 0.00 O ATOM 1158 CB ASP A 74 -7.072 -2.565 10.733 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.676 -3.011 12.050 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.893 -4.230 12.221 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -7.932 -2.143 12.909 1.00 0.00 O ATOM 0 H ASP A 74 -5.651 -1.166 9.281 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.165 -2.501 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.349 -1.528 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.492 -3.162 9.923 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.233 -4.388 9.012 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.877 -5.704 8.514 1.00 0.00 C ATOM 1168 C GLY A 75 -3.382 -5.954 8.553 1.00 0.00 C ATOM 1169 O GLY A 75 -2.927 -6.965 9.089 1.00 0.00 O ATOM 0 H GLY A 75 -5.543 -3.729 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.385 -6.464 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.233 -5.810 7.489 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.615 -5.032 7.981 1.00 0.00 N ATOM 1174 CA PHE A 76 -1.162 -5.158 7.949 1.00 0.00 C ATOM 1175 C PHE A 76 -0.590 -5.210 9.363 1.00 0.00 C ATOM 1176 O PHE A 76 0.211 -6.086 9.688 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.544 -3.988 7.180 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.944 -3.945 5.733 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.580 -4.965 4.869 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.683 -2.884 5.236 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.947 -4.929 3.537 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -2.053 -2.842 3.905 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.683 -3.865 3.054 1.00 0.00 C ATOM 0 H PHE A 76 -2.975 -4.189 7.533 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.914 -6.090 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.838 -3.054 7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.542 -4.053 7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.002 -5.798 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.973 -2.080 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.659 -5.732 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.631 -2.010 3.531 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.969 -3.833 2.013 1.00 0.00 H new ATOM 1193 N ALA A 77 -1.007 -4.265 10.199 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.538 -4.203 11.578 1.00 0.00 C ATOM 1195 C ALA A 77 -0.973 -5.437 12.361 1.00 0.00 C ATOM 1196 O ALA A 77 -0.496 -5.680 13.469 1.00 0.00 O ATOM 1197 CB ALA A 77 -1.050 -2.939 12.253 1.00 0.00 C ATOM 0 H ALA A 77 -1.669 -3.532 9.945 1.00 0.00 H new ATOM 0 HA ALA A 77 0.552 -4.179 11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.692 -2.906 13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.685 -2.065 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.140 -2.940 12.248 1.00 0.00 H new ATOM 1203 N SER A 78 -1.881 -6.213 11.778 1.00 0.00 N ATOM 1204 CA SER A 78 -2.384 -7.420 12.424 1.00 0.00 C ATOM 1205 C SER A 78 -1.286 -8.473 12.537 1.00 0.00 C ATOM 1206 O SER A 78 -1.288 -9.291 13.458 1.00 0.00 O ATOM 1207 CB SER A 78 -3.571 -7.986 11.642 1.00 0.00 C ATOM 1208 OG SER A 78 -4.250 -8.977 12.393 1.00 0.00 O ATOM 0 H SER A 78 -2.284 -6.028 10.859 1.00 0.00 H new ATOM 0 HA SER A 78 -2.714 -7.154 13.428 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.261 -7.181 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.221 -8.413 10.702 1.00 0.00 H new ATOM 0 HG SER A 78 -5.005 -9.322 11.872 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.350 -8.445 11.595 1.00 0.00 N ATOM 1215 CA ILE A 79 0.755 -9.396 11.589 1.00 0.00 C ATOM 1216 C ILE A 79 1.991 -8.807 12.259 1.00 0.00 C ATOM 1217 O ILE A 79 2.806 -9.532 12.829 1.00 0.00 O ATOM 1218 CB ILE A 79 1.119 -9.827 10.155 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.128 -8.615 9.222 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.142 -10.881 9.655 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.649 -8.924 7.836 1.00 0.00 C ATOM 0 H ILE A 79 -0.334 -7.775 10.826 1.00 0.00 H new ATOM 0 HA ILE A 79 0.422 -10.270 12.149 1.00 0.00 H new ATOM 0 HB ILE A 79 2.119 -10.262 10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.115 -8.221 9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.741 -7.830 9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.412 -11.175 8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.181 -11.753 10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.868 -10.471 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.627 -8.019 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.674 -9.289 7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.022 -9.687 7.373 1.00 0.00 H new ATOM 1233 N GLY A 80 2.124 -7.486 12.189 1.00 0.00 N ATOM 1234 CA GLY A 80 3.262 -6.821 12.795 1.00 0.00 C ATOM 1235 C GLY A 80 3.620 -5.526 12.091 1.00 0.00 C ATOM 1236 O GLY A 80 4.235 -4.640 12.684 1.00 0.00 O ATOM 0 H GLY A 80 1.463 -6.864 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.042 -6.613 13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.122 -7.490 12.777 1.00 0.00 H new ATOM 1240 N ILE A 81 3.235 -5.418 10.824 1.00 0.00 N ATOM 1241 CA ILE A 81 3.519 -4.223 10.040 1.00 0.00 C ATOM 1242 C ILE A 81 3.048 -2.966 10.763 1.00 0.00 C ATOM 1243 O ILE A 81 1.869 -2.617 10.719 1.00 0.00 O ATOM 1244 CB ILE A 81 2.849 -4.286 8.654 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.427 -5.443 7.837 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.030 -2.967 7.918 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.635 -5.754 6.586 1.00 0.00 C ATOM 0 H ILE A 81 2.726 -6.143 10.319 1.00 0.00 H new ATOM 0 HA ILE A 81 4.600 -4.181 9.910 1.00 0.00 H new ATOM 0 HB ILE A 81 1.782 -4.460 8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.453 -5.203 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.467 -6.335 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.551 -3.027 6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.575 -2.162 8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.093 -2.765 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.102 -6.584 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.615 -6.025 6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.616 -4.876 5.940 1.00 0.00 H new ATOM 1259 N SER A 82 3.979 -2.288 11.427 1.00 0.00 N ATOM 1260 CA SER A 82 3.659 -1.070 12.162 1.00 0.00 C ATOM 1261 C SER A 82 2.836 -0.116 11.301 1.00 0.00 C ATOM 1262 O SER A 82 2.563 -0.395 10.133 1.00 0.00 O ATOM 1263 CB SER A 82 4.942 -0.377 12.627 1.00 0.00 C ATOM 1264 OG SER A 82 5.576 -1.116 13.656 1.00 0.00 O ATOM 0 H SER A 82 4.961 -2.562 11.471 1.00 0.00 H new ATOM 0 HA SER A 82 3.067 -1.347 13.035 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.624 -0.263 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.708 0.625 12.986 1.00 0.00 H new ATOM 0 HG SER A 82 6.394 -0.654 13.935 1.00 0.00 H new ATOM 1270 N ARG A 83 2.444 1.011 11.886 1.00 0.00 N ATOM 1271 CA ARG A 83 1.652 2.006 11.174 1.00 0.00 C ATOM 1272 C ARG A 83 2.497 3.229 10.829 1.00 0.00 C ATOM 1273 O ARG A 83 2.387 4.274 11.471 1.00 0.00 O ATOM 1274 CB ARG A 83 0.446 2.428 12.017 1.00 0.00 C ATOM 1275 CG ARG A 83 0.796 2.750 13.460 1.00 0.00 C ATOM 1276 CD ARG A 83 0.669 1.525 14.352 1.00 0.00 C ATOM 1277 NE ARG A 83 0.296 1.878 15.718 1.00 0.00 N ATOM 1278 CZ ARG A 83 -0.935 2.225 16.077 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -1.906 2.264 15.175 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -1.197 2.533 17.341 1.00 0.00 N ATOM 0 H ARG A 83 2.662 1.258 12.851 1.00 0.00 H new ATOM 0 HA ARG A 83 1.299 1.556 10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.018 3.302 11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.295 1.629 12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.815 3.134 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.139 3.538 13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.078 0.850 13.936 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.616 0.985 14.363 1.00 0.00 H new ATOM 0 HE ARG A 83 1.020 1.857 16.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.709 2.027 14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.850 2.531 15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.453 2.503 18.038 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.143 2.799 17.616 1.00 0.00 H new ATOM 1294 N LEU A 84 3.340 3.090 9.811 1.00 0.00 N ATOM 1295 CA LEU A 84 4.204 4.183 9.380 1.00 0.00 C ATOM 1296 C LEU A 84 3.385 5.421 9.030 1.00 0.00 C ATOM 1297 O LEU A 84 3.647 6.515 9.533 1.00 0.00 O ATOM 1298 CB LEU A 84 5.040 3.753 8.173 1.00 0.00 C ATOM 1299 CG LEU A 84 6.349 3.028 8.487 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.490 4.024 8.624 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.208 2.197 9.753 1.00 0.00 C ATOM 0 H LEU A 84 3.443 2.232 9.269 1.00 0.00 H new ATOM 0 HA LEU A 84 4.870 4.433 10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.429 3.103 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.272 4.639 7.582 1.00 0.00 H new ATOM 0 HG LEU A 84 6.578 2.356 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.414 3.490 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.606 4.575 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.269 4.721 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.149 1.688 9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.955 2.848 10.590 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.418 1.458 9.617 1.00 0.00 H new ATOM 1313 N LEU A 85 2.390 5.241 8.168 1.00 0.00 N ATOM 1314 CA LEU A 85 1.529 6.343 7.753 1.00 0.00 C ATOM 1315 C LEU A 85 0.168 6.259 8.436 1.00 0.00 C ATOM 1316 O LEU A 85 -0.230 5.198 8.917 1.00 0.00 O ATOM 1317 CB LEU A 85 1.351 6.332 6.234 1.00 0.00 C ATOM 1318 CG LEU A 85 0.845 7.633 5.608 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.813 8.772 5.889 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.644 7.460 4.109 1.00 0.00 C ATOM 0 H LEU A 85 2.160 4.343 7.743 1.00 0.00 H new ATOM 0 HA LEU A 85 2.007 7.276 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.309 6.081 5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.656 5.533 5.975 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.116 7.881 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.437 9.689 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.908 8.911 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.789 8.533 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.284 8.395 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.592 7.188 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.088 6.672 3.929 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.540 7.383 8.474 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.857 7.434 9.098 1.00 0.00 C ATOM 1334 C GLU A 86 -2.947 7.648 8.051 1.00 0.00 C ATOM 1335 O GLU A 86 -2.735 8.284 7.019 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.909 8.553 10.140 1.00 0.00 C ATOM 1337 CG GLU A 86 -0.944 8.353 11.297 1.00 0.00 C ATOM 1338 CD GLU A 86 0.498 8.604 10.904 1.00 0.00 C ATOM 1339 OE1 GLU A 86 0.727 9.359 9.936 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.399 8.046 11.564 1.00 0.00 O ATOM 0 H GLU A 86 -0.224 8.270 8.081 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.034 6.479 9.592 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.687 9.502 9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.923 8.626 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.216 9.023 12.112 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.042 7.335 11.675 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.143 7.105 8.323 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.290 7.223 7.418 1.00 0.00 C ATOM 1349 C PRO A 87 -5.839 8.644 7.360 1.00 0.00 C ATOM 1350 O PRO A 87 -6.092 9.179 6.281 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.324 6.275 8.030 1.00 0.00 C ATOM 1352 CG PRO A 87 -5.964 6.203 9.474 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.467 6.335 9.535 1.00 0.00 C ATOM 0 HA PRO A 87 -5.024 6.979 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.337 6.653 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.285 5.291 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.449 7.000 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.291 5.259 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.146 6.854 10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.977 5.361 9.535 1.00 0.00 H new ATOM 1361 N SER A 88 -6.022 9.251 8.529 1.00 0.00 N ATOM 1362 CA SER A 88 -6.544 10.610 8.611 1.00 0.00 C ATOM 1363 C SER A 88 -5.579 11.603 7.971 1.00 0.00 C ATOM 1364 O SER A 88 -5.985 12.467 7.193 1.00 0.00 O ATOM 1365 CB SER A 88 -6.797 10.995 10.070 1.00 0.00 C ATOM 1366 OG SER A 88 -5.583 11.050 10.800 1.00 0.00 O ATOM 0 H SER A 88 -5.816 8.823 9.432 1.00 0.00 H new ATOM 0 HA SER A 88 -7.487 10.644 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.295 11.964 10.113 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.469 10.270 10.530 1.00 0.00 H new ATOM 0 HG SER A 88 -5.771 11.300 11.729 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.300 11.473 8.303 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.275 12.357 7.761 1.00 0.00 C ATOM 1374 C ASP A 89 -3.460 12.547 6.259 1.00 0.00 C ATOM 1375 O ASP A 89 -3.494 13.673 5.765 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.882 11.795 8.049 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.363 12.206 9.413 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -2.192 12.462 10.312 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -0.127 12.270 9.583 1.00 0.00 O ATOM 0 H ASP A 89 -3.948 10.763 8.945 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.374 13.328 8.247 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.912 10.707 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.189 12.138 7.281 1.00 0.00 H new ATOM 1384 N MET A 90 -3.577 11.436 5.538 1.00 0.00 N ATOM 1385 CA MET A 90 -3.758 11.481 4.091 1.00 0.00 C ATOM 1386 C MET A 90 -4.880 12.443 3.713 1.00 0.00 C ATOM 1387 O MET A 90 -4.856 13.051 2.643 1.00 0.00 O ATOM 1388 CB MET A 90 -4.066 10.083 3.551 1.00 0.00 C ATOM 1389 CG MET A 90 -2.914 9.104 3.707 1.00 0.00 C ATOM 1390 SD MET A 90 -1.688 9.259 2.394 1.00 0.00 S ATOM 1391 CE MET A 90 -1.630 7.575 1.785 1.00 0.00 C ATOM 0 H MET A 90 -3.550 10.495 5.931 1.00 0.00 H new ATOM 0 HA MET A 90 -2.830 11.839 3.645 1.00 0.00 H new ATOM 0 HB2 MET A 90 -4.941 9.688 4.067 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.327 10.159 2.495 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.431 9.267 4.671 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.305 8.087 3.715 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.805 7.471 1.080 1.00 0.00 H new ATOM 0 HE2 MET A 90 -1.482 6.891 2.621 1.00 0.00 H new ATOM 0 HE3 MET A 90 -2.568 7.337 1.283 1.00 0.00 H new ATOM 1401 N VAL A 91 -5.863 12.576 4.598 1.00 0.00 N ATOM 1402 CA VAL A 91 -6.994 13.465 4.358 1.00 0.00 C ATOM 1403 C VAL A 91 -6.684 14.884 4.818 1.00 0.00 C ATOM 1404 O VAL A 91 -6.988 15.855 4.123 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.261 12.968 5.077 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.500 13.634 4.498 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.367 11.453 4.985 1.00 0.00 C ATOM 0 H VAL A 91 -5.899 12.079 5.488 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.173 13.466 3.283 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.190 13.240 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.386 13.270 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.424 14.714 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.579 13.395 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.269 11.119 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.415 11.155 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.494 10.998 5.453 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.078 15.000 5.995 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.726 16.302 6.550 1.00 0.00 C ATOM 1419 C LEU A 92 -5.024 17.167 5.507 1.00 0.00 C ATOM 1420 O LEU A 92 -5.352 18.342 5.337 1.00 0.00 O ATOM 1421 CB LEU A 92 -4.826 16.130 7.775 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.460 15.436 8.981 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.396 15.054 9.998 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.513 16.331 9.619 1.00 0.00 C ATOM 0 H LEU A 92 -5.820 14.208 6.583 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.647 16.802 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.944 15.563 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.480 17.115 8.088 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.947 14.524 8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.866 14.561 10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.679 14.375 9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.879 15.951 10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -6.954 15.821 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.049 17.260 9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.292 16.554 8.889 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.059 16.578 4.810 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.312 17.293 3.782 1.00 0.00 C ATOM 1438 C LEU A 93 -3.775 16.883 2.388 1.00 0.00 C ATOM 1439 O LEU A 93 -4.499 15.901 2.227 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.813 17.026 3.933 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.402 15.557 4.050 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.744 14.804 2.773 1.00 0.00 C ATOM 1443 CD2 LEU A 93 0.084 15.443 4.357 1.00 0.00 C ATOM 0 H LEU A 93 -3.775 15.607 4.938 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.499 18.359 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.299 17.459 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.457 17.554 4.818 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.958 15.107 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.445 13.761 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.818 14.858 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.215 15.253 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.359 14.391 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.658 15.908 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.301 15.947 5.299 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.351 17.641 1.382 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.719 17.354 0.001 1.00 0.00 C ATOM 1457 C ALA A 94 -2.822 16.274 -0.593 1.00 0.00 C ATOM 1458 O ALA A 94 -3.307 15.297 -1.165 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.649 18.621 -0.838 1.00 0.00 C ATOM 0 H ALA A 94 -2.752 18.459 1.498 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.744 16.983 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.926 18.392 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.337 19.364 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.634 19.017 -0.815 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.513 16.456 -0.454 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.549 15.495 -0.977 1.00 0.00 C ATOM 1467 C ILE A 95 0.385 15.001 0.122 1.00 0.00 C ATOM 1468 O ILE A 95 1.012 15.783 0.837 1.00 0.00 O ATOM 1469 CB ILE A 95 0.291 16.104 -2.115 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.612 16.531 -3.274 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.338 15.108 -2.592 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.345 15.380 -3.925 1.00 0.00 C ATOM 0 H ILE A 95 -1.096 17.259 0.016 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.121 14.654 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 95 0.804 16.987 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.341 17.255 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.008 17.039 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.924 15.553 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.997 14.849 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.844 14.208 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.966 15.757 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.623 14.666 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.976 14.886 -3.186 1.00 0.00 H new ATOM 1484 N PRO A 96 0.484 13.670 0.260 1.00 0.00 N ATOM 1485 CA PRO A 96 1.343 13.041 1.268 1.00 0.00 C ATOM 1486 C PRO A 96 2.825 13.218 0.959 1.00 0.00 C ATOM 1487 O PRO A 96 3.192 13.722 -0.103 1.00 0.00 O ATOM 1488 CB PRO A 96 0.953 11.562 1.191 1.00 0.00 C ATOM 1489 CG PRO A 96 0.430 11.379 -0.191 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.233 12.678 -0.558 1.00 0.00 C ATOM 0 HA PRO A 96 1.205 13.482 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.811 10.916 1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.198 11.313 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.236 11.143 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.280 10.553 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.138 12.891 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.299 12.664 -0.330 1.00 0.00 H new ATOM 1498 N ASP A 97 3.673 12.799 1.892 1.00 0.00 N ATOM 1499 CA ASP A 97 5.117 12.910 1.718 1.00 0.00 C ATOM 1500 C ASP A 97 5.687 11.645 1.085 1.00 0.00 C ATOM 1501 O ASP A 97 5.982 10.670 1.777 1.00 0.00 O ATOM 1502 CB ASP A 97 5.795 13.172 3.064 1.00 0.00 C ATOM 1503 CG ASP A 97 5.746 14.634 3.463 1.00 0.00 C ATOM 1504 OD1 ASP A 97 5.968 15.496 2.586 1.00 0.00 O ATOM 1505 OD2 ASP A 97 5.485 14.916 4.651 1.00 0.00 O ATOM 0 H ASP A 97 3.386 12.380 2.776 1.00 0.00 H new ATOM 0 HA ASP A 97 5.315 13.749 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.311 12.572 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.834 12.847 3.013 1.00 0.00 H new ATOM 1510 N LYS A 98 5.838 11.667 -0.235 1.00 0.00 N ATOM 1511 CA LYS A 98 6.373 10.522 -0.963 1.00 0.00 C ATOM 1512 C LYS A 98 7.427 9.794 -0.135 1.00 0.00 C ATOM 1513 O LYS A 98 7.424 8.566 -0.049 1.00 0.00 O ATOM 1514 CB LYS A 98 6.978 10.976 -2.294 1.00 0.00 C ATOM 1515 CG LYS A 98 7.775 9.893 -3.000 1.00 0.00 C ATOM 1516 CD LYS A 98 9.234 9.910 -2.579 1.00 0.00 C ATOM 1517 CE LYS A 98 10.139 9.382 -3.682 1.00 0.00 C ATOM 1518 NZ LYS A 98 11.577 9.637 -3.390 1.00 0.00 N ATOM 0 H LYS A 98 5.597 12.465 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 98 5.552 9.832 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.177 11.313 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.626 11.834 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.342 8.918 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.705 10.033 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.528 10.928 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.362 9.305 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.977 8.311 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.871 9.853 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.160 9.262 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.737 10.661 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.839 9.166 -2.501 1.00 0.00 H new ATOM 1532 N LEU A 99 8.326 10.559 0.474 1.00 0.00 N ATOM 1533 CA LEU A 99 9.386 9.987 1.297 1.00 0.00 C ATOM 1534 C LEU A 99 8.807 9.069 2.369 1.00 0.00 C ATOM 1535 O LEU A 99 9.259 7.937 2.543 1.00 0.00 O ATOM 1536 CB LEU A 99 10.207 11.099 1.951 1.00 0.00 C ATOM 1537 CG LEU A 99 10.872 12.093 0.997 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.287 13.352 1.742 1.00 0.00 C ATOM 1539 CD2 LEU A 99 12.072 11.454 0.314 1.00 0.00 C ATOM 0 H LEU A 99 8.342 11.577 0.414 1.00 0.00 H new ATOM 0 HA LEU A 99 10.036 9.396 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.556 11.654 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.983 10.639 2.563 1.00 0.00 H new ATOM 0 HG LEU A 99 10.149 12.372 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.758 14.047 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.407 13.820 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.994 13.092 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.533 12.175 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.798 11.146 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.746 10.582 -0.254 1.00 0.00 H new ATOM 1551 N THR A 100 7.802 9.564 3.085 1.00 0.00 N ATOM 1552 CA THR A 100 7.160 8.789 4.139 1.00 0.00 C ATOM 1553 C THR A 100 6.431 7.579 3.565 1.00 0.00 C ATOM 1554 O THR A 100 6.687 6.442 3.962 1.00 0.00 O ATOM 1555 CB THR A 100 6.159 9.646 4.936 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.840 10.740 5.562 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.453 8.811 5.994 1.00 0.00 C ATOM 0 H THR A 100 7.415 10.499 2.954 1.00 0.00 H new ATOM 0 HA THR A 100 7.951 8.450 4.808 1.00 0.00 H new ATOM 0 HB THR A 100 5.412 10.032 4.242 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.196 11.281 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.751 9.438 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.912 7.996 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.190 8.400 6.684 1.00 0.00 H new ATOM 1565 N VAL A 101 5.522 7.831 2.629 1.00 0.00 N ATOM 1566 CA VAL A 101 4.757 6.761 1.999 1.00 0.00 C ATOM 1567 C VAL A 101 5.664 5.610 1.580 1.00 0.00 C ATOM 1568 O VAL A 101 5.546 4.496 2.091 1.00 0.00 O ATOM 1569 CB VAL A 101 3.990 7.271 0.765 1.00 0.00 C ATOM 1570 CG1 VAL A 101 3.227 6.134 0.102 1.00 0.00 C ATOM 1571 CG2 VAL A 101 3.048 8.401 1.153 1.00 0.00 C ATOM 0 H VAL A 101 5.297 8.766 2.290 1.00 0.00 H new ATOM 0 HA VAL A 101 4.042 6.405 2.740 1.00 0.00 H new ATOM 0 HB VAL A 101 4.711 7.660 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.691 6.514 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.928 5.360 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.515 5.712 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.514 8.749 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.331 8.040 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.623 9.224 1.578 1.00 0.00 H new ATOM 1581 N MET A 102 6.569 5.886 0.647 1.00 0.00 N ATOM 1582 CA MET A 102 7.498 4.873 0.161 1.00 0.00 C ATOM 1583 C MET A 102 8.023 4.019 1.311 1.00 0.00 C ATOM 1584 O MET A 102 7.977 2.790 1.256 1.00 0.00 O ATOM 1585 CB MET A 102 8.667 5.533 -0.574 1.00 0.00 C ATOM 1586 CG MET A 102 8.422 5.718 -2.063 1.00 0.00 C ATOM 1587 SD MET A 102 9.951 5.752 -3.019 1.00 0.00 S ATOM 1588 CE MET A 102 9.547 4.615 -4.343 1.00 0.00 C ATOM 0 H MET A 102 6.679 6.802 0.213 1.00 0.00 H new ATOM 0 HA MET A 102 6.960 4.226 -0.532 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.866 6.505 -0.123 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.562 4.927 -0.434 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.789 4.909 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.876 6.647 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.425 4.018 -4.590 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.739 3.957 -4.024 1.00 0.00 H new ATOM 0 HE3 MET A 102 9.232 5.177 -5.222 1.00 0.00 H new ATOM 1598 N THR A 103 8.522 4.679 2.352 1.00 0.00 N ATOM 1599 CA THR A 103 9.057 3.980 3.514 1.00 0.00 C ATOM 1600 C THR A 103 8.106 2.884 3.982 1.00 0.00 C ATOM 1601 O THR A 103 8.502 1.729 4.135 1.00 0.00 O ATOM 1602 CB THR A 103 9.318 4.950 4.681 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.192 6.003 4.257 1.00 0.00 O ATOM 1604 CG2 THR A 103 9.934 4.219 5.865 1.00 0.00 C ATOM 0 H THR A 103 8.567 5.696 2.414 1.00 0.00 H new ATOM 0 HA THR A 103 10.001 3.531 3.206 1.00 0.00 H new ATOM 0 HB THR A 103 8.363 5.374 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.686 6.656 3.729 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.109 4.925 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.254 3.437 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.881 3.771 5.563 1.00 0.00 H new ATOM 1612 N TYR A 104 6.850 3.254 4.208 1.00 0.00 N ATOM 1613 CA TYR A 104 5.842 2.302 4.660 1.00 0.00 C ATOM 1614 C TYR A 104 5.740 1.120 3.701 1.00 0.00 C ATOM 1615 O TYR A 104 5.953 -0.029 4.088 1.00 0.00 O ATOM 1616 CB TYR A 104 4.482 2.990 4.788 1.00 0.00 C ATOM 1617 CG TYR A 104 3.402 2.095 5.353 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.678 1.205 6.383 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.105 2.141 4.856 1.00 0.00 C ATOM 1620 CE1 TYR A 104 2.694 0.385 6.901 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.114 1.326 5.370 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.414 0.449 6.392 1.00 0.00 C ATOM 1623 OH TYR A 104 0.431 -0.365 6.906 1.00 0.00 O ATOM 0 H TYR A 104 6.506 4.206 4.086 1.00 0.00 H new ATOM 0 HA TYR A 104 6.145 1.927 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.586 3.867 5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.170 3.346 3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.679 1.153 6.786 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.867 2.825 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.926 -0.303 7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.110 1.375 4.974 1.00 0.00 H new ATOM 0 HH TYR A 104 -0.413 -0.195 6.438 1.00 0.00 H new ATOM 1633 N LEU A 105 5.412 1.412 2.447 1.00 0.00 N ATOM 1634 CA LEU A 105 5.281 0.374 1.430 1.00 0.00 C ATOM 1635 C LEU A 105 6.438 -0.617 1.510 1.00 0.00 C ATOM 1636 O LEU A 105 6.228 -1.821 1.658 1.00 0.00 O ATOM 1637 CB LEU A 105 5.228 1.002 0.036 1.00 0.00 C ATOM 1638 CG LEU A 105 3.928 1.721 -0.328 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.161 2.701 -1.467 1.00 0.00 C ATOM 1640 CD2 LEU A 105 2.849 0.714 -0.699 1.00 0.00 C ATOM 0 H LEU A 105 5.232 2.358 2.110 1.00 0.00 H new ATOM 0 HA LEU A 105 4.352 -0.165 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.050 1.713 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.405 0.218 -0.701 1.00 0.00 H new ATOM 0 HG LEU A 105 3.589 2.283 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.225 3.203 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.901 3.441 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.524 2.162 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.931 1.242 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.180 0.125 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.663 0.052 0.147 1.00 0.00 H new ATOM 1652 N TYR A 106 7.658 -0.101 1.415 1.00 0.00 N ATOM 1653 CA TYR A 106 8.849 -0.940 1.476 1.00 0.00 C ATOM 1654 C TYR A 106 8.714 -1.998 2.568 1.00 0.00 C ATOM 1655 O TYR A 106 9.195 -3.121 2.420 1.00 0.00 O ATOM 1656 CB TYR A 106 10.090 -0.083 1.731 1.00 0.00 C ATOM 1657 CG TYR A 106 10.583 0.649 0.504 1.00 0.00 C ATOM 1658 CD1 TYR A 106 10.797 -0.024 -0.692 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.833 2.016 0.540 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.248 0.641 -1.816 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.283 2.689 -0.579 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.489 1.998 -1.754 1.00 0.00 C ATOM 1663 OH TYR A 106 11.936 2.665 -2.872 1.00 0.00 O ATOM 0 H TYR A 106 7.848 0.894 1.295 1.00 0.00 H new ATOM 0 HA TYR A 106 8.956 -1.445 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 106 9.865 0.644 2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 106 10.890 -0.720 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.608 -1.086 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.673 2.561 1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.411 0.102 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.473 3.751 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 106 11.565 3.572 -2.882 1.00 0.00 H new ATOM 1673 N GLN A 107 8.057 -1.629 3.662 1.00 0.00 N ATOM 1674 CA GLN A 107 7.859 -2.545 4.779 1.00 0.00 C ATOM 1675 C GLN A 107 6.995 -3.731 4.364 1.00 0.00 C ATOM 1676 O GLN A 107 7.350 -4.885 4.604 1.00 0.00 O ATOM 1677 CB GLN A 107 7.211 -1.814 5.957 1.00 0.00 C ATOM 1678 CG GLN A 107 7.960 -0.561 6.382 1.00 0.00 C ATOM 1679 CD GLN A 107 9.145 -0.865 7.277 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.062 -1.708 8.171 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.256 -0.178 7.043 1.00 0.00 N ATOM 0 H GLN A 107 7.653 -0.703 3.799 1.00 0.00 H new ATOM 0 HA GLN A 107 8.835 -2.920 5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.190 -1.543 5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.148 -2.495 6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.306 -0.031 5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.276 0.107 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.281 0.511 6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.085 -0.339 7.615 1.00 0.00 H new ATOM 1690 N ILE A 108 5.858 -3.438 3.740 1.00 0.00 N ATOM 1691 CA ILE A 108 4.944 -4.481 3.291 1.00 0.00 C ATOM 1692 C ILE A 108 5.603 -5.379 2.249 1.00 0.00 C ATOM 1693 O ILE A 108 5.711 -6.590 2.438 1.00 0.00 O ATOM 1694 CB ILE A 108 3.656 -3.882 2.695 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.845 -3.177 3.784 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.826 -4.969 2.027 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.280 -1.750 4.034 1.00 0.00 C ATOM 0 H ILE A 108 5.549 -2.488 3.534 1.00 0.00 H new ATOM 0 HA ILE A 108 4.687 -5.075 4.168 1.00 0.00 H new ATOM 0 HB ILE A 108 3.930 -3.146 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.792 -3.183 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.930 -3.742 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.919 -4.530 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.406 -5.430 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.558 -5.726 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.661 -1.313 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.324 -1.737 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.168 -1.170 3.118 1.00 0.00 H new ATOM 1709 N ARG A 109 6.045 -4.775 1.150 1.00 0.00 N ATOM 1710 CA ARG A 109 6.694 -5.520 0.078 1.00 0.00 C ATOM 1711 C ARG A 109 7.752 -6.467 0.638 1.00 0.00 C ATOM 1712 O ARG A 109 7.941 -7.572 0.131 1.00 0.00 O ATOM 1713 CB ARG A 109 7.334 -4.558 -0.925 1.00 0.00 C ATOM 1714 CG ARG A 109 8.217 -5.248 -1.952 1.00 0.00 C ATOM 1715 CD ARG A 109 9.327 -4.330 -2.438 1.00 0.00 C ATOM 1716 NE ARG A 109 10.518 -5.075 -2.838 1.00 0.00 N ATOM 1717 CZ ARG A 109 10.578 -5.838 -3.923 1.00 0.00 C ATOM 1718 NH1 ARG A 109 9.520 -5.956 -4.714 1.00 0.00 N ATOM 1719 NH2 ARG A 109 11.697 -6.485 -4.221 1.00 0.00 N ATOM 0 H ARG A 109 5.965 -3.773 0.979 1.00 0.00 H new ATOM 0 HA ARG A 109 5.934 -6.112 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.547 -4.011 -1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.928 -3.823 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.652 -6.147 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.610 -5.567 -2.799 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.967 -3.742 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.588 -3.627 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 109 11.350 -5.005 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.658 -5.460 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.569 -6.543 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.514 -6.397 -3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.741 -7.071 -5.055 1.00 0.00 H new ATOM 1733 N ALA A 110 8.440 -6.024 1.685 1.00 0.00 N ATOM 1734 CA ALA A 110 9.478 -6.832 2.314 1.00 0.00 C ATOM 1735 C ALA A 110 8.870 -7.945 3.160 1.00 0.00 C ATOM 1736 O ALA A 110 9.351 -9.079 3.151 1.00 0.00 O ATOM 1737 CB ALA A 110 10.386 -5.956 3.165 1.00 0.00 C ATOM 0 H ALA A 110 8.298 -5.110 2.116 1.00 0.00 H new ATOM 0 HA ALA A 110 10.072 -7.294 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.156 -6.573 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.856 -5.200 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.797 -5.467 3.941 1.00 0.00 H new ATOM 1743 N HIS A 111 7.810 -7.615 3.891 1.00 0.00 N ATOM 1744 CA HIS A 111 7.136 -8.588 4.743 1.00 0.00 C ATOM 1745 C HIS A 111 6.791 -9.851 3.958 1.00 0.00 C ATOM 1746 O HIS A 111 7.183 -10.955 4.336 1.00 0.00 O ATOM 1747 CB HIS A 111 5.865 -7.982 5.340 1.00 0.00 C ATOM 1748 CG HIS A 111 5.438 -8.628 6.621 1.00 0.00 C ATOM 1749 ND1 HIS A 111 5.669 -8.069 7.860 1.00 0.00 N ATOM 1750 CD2 HIS A 111 4.788 -9.793 6.852 1.00 0.00 C ATOM 1751 CE1 HIS A 111 5.182 -8.863 8.797 1.00 0.00 C ATOM 1752 NE2 HIS A 111 4.642 -9.916 8.211 1.00 0.00 N ATOM 0 H HIS A 111 7.399 -6.681 3.910 1.00 0.00 H new ATOM 0 HA HIS A 111 7.815 -8.858 5.552 1.00 0.00 H new ATOM 0 HB2 HIS A 111 6.027 -6.919 5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 111 5.057 -8.066 4.614 1.00 0.00 H new ATOM 0 HD2 HIS A 111 4.448 -10.495 6.105 1.00 0.00 H new ATOM 0 HE1 HIS A 111 5.219 -8.682 9.861 1.00 0.00 H new ATOM 0 HE2 HIS A 111 4.190 -10.694 8.691 1.00 0.00 H new ATOM 1761 N PHE A 112 6.055 -9.680 2.865 1.00 0.00 N ATOM 1762 CA PHE A 112 5.655 -10.805 2.029 1.00 0.00 C ATOM 1763 C PHE A 112 6.812 -11.264 1.145 1.00 0.00 C ATOM 1764 O PHE A 112 7.129 -12.452 1.086 1.00 0.00 O ATOM 1765 CB PHE A 112 4.456 -10.422 1.159 1.00 0.00 C ATOM 1766 CG PHE A 112 3.210 -10.138 1.949 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.406 -11.174 2.395 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.843 -8.835 2.243 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.259 -10.917 3.122 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.697 -8.571 2.970 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.903 -9.613 3.409 1.00 0.00 C ATOM 0 H PHE A 112 5.723 -8.773 2.538 1.00 0.00 H new ATOM 0 HA PHE A 112 5.371 -11.629 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.711 -9.542 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.255 -11.230 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.679 -12.195 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.459 -8.016 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.642 -11.734 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.423 -7.551 3.195 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.006 -9.409 3.975 1.00 0.00 H new