USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 710 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 50 ASN : amide:sc= -1.13 K(o=-1.7,f=-9.5!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.562 K(o=-1.7,f=-8!) USER MOD Set 2.1: A 101 SER OG : rot -116:sc= 0.618 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.659 USER MOD Set 3.1: A 76 ASN : amide:sc= 1.68 K(o=4,f=2.3) USER MOD Set 3.2: A 80 SER OG : rot -49:sc= 1.71 USER MOD Set 3.3: A 82 THR OG1 : rot 90:sc= 0.589 USER MOD Set 4.1: A 60 GLN : amide:sc= -0.721 K(o=-0.21,f=-0.95) USER MOD Set 4.2: A 62 SER OG : rot 15:sc= 0.516 USER MOD Set 5.1: A 19 TYR OH : rot -170:sc= 0.0782 USER MOD Set 5.2: A 84 SER OG : rot 24:sc= 0.0109 USER MOD Set 6.1: A 15 GLN : amide:sc= -0.645 K(o=-3,f=-2.3) USER MOD Set 6.2: A 87 ASN : amide:sc= -2.31! C(o=-3!,f=-7.2!) USER MOD Set 7.1: A 11 TYR OH : rot 54:sc= 1.3 USER MOD Set 7.2: A 34 ASN : amide:sc= 1.05 K(o=2.3,f=-1.4) USER MOD Single : A 9 ASN : amide:sc= -2.8! K(o=-2.8!,f=-0.57) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00886 USER MOD Single : A 16 CYS SG : rot -116:sc= 1.3 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.929) USER MOD Single : A 30 SER OG : rot -56:sc= 1.16 USER MOD Single : A 31 THR OG1 : rot -170:sc=-0.000607 USER MOD Single : A 36 ASN : amide:sc=-0.00998 K(o=-0.01,f=-2.3!) USER MOD Single : A 37 ASN : amide:sc= -2.01! K(o=-2!,f=-1.3) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 98:sc= 0.939 USER MOD Single : A 51 HIS : no HE2:sc= 1 K(o=1,f=-4.3!) USER MOD Single : A 52 THR OG1 : rot -20:sc= 0.752 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0803 USER MOD Single : A 55 LYS NZ :NH3+ -112:sc= 0.394 (180deg=-0.204) USER MOD Single : A 61 SER OG : rot 180:sc= -1.86! USER MOD Single : A 68 HIS : no HD1:sc= 0.927 K(o=0.93,f=-5.9!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -131:sc= -4.95! (180deg=-9.17!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -60:sc= 0.488 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 170:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0608 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -4.93! C(o=-4.9!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -14.776 1.372 3.083 1.00 0.00 N ATOM 99 CA ASN A 9 -13.855 2.422 2.673 1.00 0.00 C ATOM 100 C ASN A 9 -14.476 3.246 1.559 1.00 0.00 C ATOM 101 O ASN A 9 -15.532 2.893 1.033 1.00 0.00 O ATOM 102 CB ASN A 9 -12.531 1.831 2.173 1.00 0.00 C ATOM 103 CG ASN A 9 -11.777 1.045 3.227 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.868 1.323 4.419 1.00 0.00 O ATOM 105 ND2 ASN A 9 -11.019 0.059 2.785 1.00 0.00 N ATOM 0 HA ASN A 9 -13.656 3.051 3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.732 1.180 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.896 2.640 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.481 -0.505 3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.971 -0.139 1.786 1.00 0.00 H new ATOM 112 N LEU A 10 -13.815 4.336 1.196 1.00 0.00 N ATOM 113 CA LEU A 10 -14.236 5.145 0.059 1.00 0.00 C ATOM 114 C LEU A 10 -14.117 4.351 -1.236 1.00 0.00 C ATOM 115 O LEU A 10 -14.882 4.556 -2.181 1.00 0.00 O ATOM 116 CB LEU A 10 -13.372 6.406 -0.045 1.00 0.00 C ATOM 117 CG LEU A 10 -13.427 7.348 1.158 1.00 0.00 C ATOM 118 CD1 LEU A 10 -12.499 8.530 0.944 1.00 0.00 C ATOM 119 CD2 LEU A 10 -14.849 7.830 1.396 1.00 0.00 C ATOM 0 H LEU A 10 -12.983 4.682 1.673 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.277 5.428 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.336 6.103 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.677 6.961 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.097 6.799 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.548 9.192 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.477 8.172 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.804 9.075 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.867 8.499 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.205 8.363 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.496 6.974 1.588 1.00 0.00 H new ATOM 131 N TYR A 11 -13.155 3.435 -1.262 1.00 0.00 N ATOM 132 CA TYR A 11 -12.836 2.693 -2.470 1.00 0.00 C ATOM 133 C TYR A 11 -13.768 1.488 -2.632 1.00 0.00 C ATOM 134 O TYR A 11 -14.739 1.343 -1.890 1.00 0.00 O ATOM 135 CB TYR A 11 -11.366 2.255 -2.438 1.00 0.00 C ATOM 136 CG TYR A 11 -10.727 2.177 -3.806 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.569 3.319 -4.581 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.290 0.968 -4.327 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.993 3.258 -5.835 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.714 0.898 -5.582 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.568 2.044 -6.330 1.00 0.00 C ATOM 142 OH TYR A 11 -8.994 1.976 -7.581 1.00 0.00 O ATOM 0 H TYR A 11 -12.582 3.190 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.987 3.342 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.801 2.954 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.297 1.279 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.902 4.271 -4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.402 0.067 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.876 4.156 -6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.380 -0.052 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.253 2.615 -7.636 1.00 0.00 H new ATOM 152 N THR A 12 -13.445 0.623 -3.585 1.00 0.00 N ATOM 153 CA THR A 12 -14.336 -0.450 -4.019 1.00 0.00 C ATOM 154 C THR A 12 -14.515 -1.536 -2.948 1.00 0.00 C ATOM 155 O THR A 12 -15.291 -1.368 -2.005 1.00 0.00 O ATOM 156 CB THR A 12 -13.795 -1.087 -5.311 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.270 -0.065 -6.162 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.876 -1.861 -6.052 1.00 0.00 C ATOM 0 H THR A 12 -12.554 0.644 -4.082 1.00 0.00 H new ATOM 0 HA THR A 12 -15.314 -0.003 -4.198 1.00 0.00 H new ATOM 0 HB THR A 12 -13.008 -1.790 -5.036 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.924 -0.470 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.455 -2.296 -6.959 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.258 -2.656 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.690 -1.186 -6.317 1.00 0.00 H new ATOM 166 N ALA A 13 -13.787 -2.642 -3.097 1.00 0.00 N ATOM 167 CA ALA A 13 -13.887 -3.769 -2.184 1.00 0.00 C ATOM 168 C ALA A 13 -12.813 -4.797 -2.498 1.00 0.00 C ATOM 169 O ALA A 13 -12.881 -5.486 -3.511 1.00 0.00 O ATOM 170 CB ALA A 13 -15.264 -4.412 -2.269 1.00 0.00 C ATOM 0 H ALA A 13 -13.115 -2.777 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.740 -3.400 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.316 -5.253 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.025 -3.678 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.438 -4.766 -3.285 1.00 0.00 H new ATOM 176 N GLY A 14 -11.813 -4.879 -1.636 1.00 0.00 N ATOM 177 CA GLY A 14 -10.757 -5.854 -1.816 1.00 0.00 C ATOM 178 C GLY A 14 -9.773 -5.461 -2.897 1.00 0.00 C ATOM 179 O GLY A 14 -9.124 -6.318 -3.488 1.00 0.00 O ATOM 0 H GLY A 14 -11.713 -4.286 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.223 -5.982 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.198 -6.819 -2.066 1.00 0.00 H new ATOM 183 N GLN A 15 -9.654 -4.164 -3.150 1.00 0.00 N ATOM 184 CA GLN A 15 -8.743 -3.675 -4.181 1.00 0.00 C ATOM 185 C GLN A 15 -7.381 -3.354 -3.566 1.00 0.00 C ATOM 186 O GLN A 15 -7.208 -3.470 -2.354 1.00 0.00 O ATOM 187 CB GLN A 15 -9.315 -2.429 -4.862 1.00 0.00 C ATOM 188 CG GLN A 15 -10.795 -2.537 -5.205 1.00 0.00 C ATOM 189 CD GLN A 15 -11.125 -3.639 -6.201 1.00 0.00 C ATOM 190 OE1 GLN A 15 -12.199 -4.229 -6.138 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.236 -3.898 -7.146 1.00 0.00 N ATOM 0 H GLN A 15 -10.172 -3.435 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.622 -4.455 -4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.165 -1.569 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.753 -2.237 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.357 -2.711 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.133 -1.583 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.353 -3.388 -7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.434 -4.607 -7.852 1.00 0.00 H new ATOM 200 N CYS A 16 -6.430 -2.930 -4.396 1.00 0.00 N ATOM 201 CA CYS A 16 -5.061 -2.684 -3.942 1.00 0.00 C ATOM 202 C CYS A 16 -5.000 -1.551 -2.920 1.00 0.00 C ATOM 203 O CYS A 16 -4.596 -1.759 -1.776 1.00 0.00 O ATOM 204 CB CYS A 16 -4.171 -2.370 -5.148 1.00 0.00 C ATOM 205 SG CYS A 16 -4.938 -1.262 -6.356 1.00 0.00 S ATOM 0 H CYS A 16 -6.582 -2.749 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.697 -3.584 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.243 -1.920 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.905 -3.304 -5.644 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.096 -1.891 -7.483 1.00 0.00 H new ATOM 211 N THR A 17 -5.437 -0.366 -3.324 1.00 0.00 N ATOM 212 CA THR A 17 -5.438 0.792 -2.441 1.00 0.00 C ATOM 213 C THR A 17 -6.498 0.631 -1.353 1.00 0.00 C ATOM 214 O THR A 17 -6.416 1.245 -0.289 1.00 0.00 O ATOM 215 CB THR A 17 -5.694 2.087 -3.239 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.892 1.954 -4.012 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.528 2.391 -4.166 1.00 0.00 C ATOM 0 H THR A 17 -5.796 -0.181 -4.261 1.00 0.00 H new ATOM 0 HA THR A 17 -4.457 0.862 -1.971 1.00 0.00 H new ATOM 0 HB THR A 17 -5.802 2.908 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.050 2.780 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.732 3.309 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.619 2.515 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.397 1.567 -4.868 1.00 0.00 H new ATOM 225 N TRP A 18 -7.480 -0.221 -1.627 1.00 0.00 N ATOM 226 CA TRP A 18 -8.546 -0.502 -0.678 1.00 0.00 C ATOM 227 C TRP A 18 -8.006 -1.303 0.499 1.00 0.00 C ATOM 228 O TRP A 18 -8.233 -0.947 1.654 1.00 0.00 O ATOM 229 CB TRP A 18 -9.670 -1.280 -1.367 1.00 0.00 C ATOM 230 CG TRP A 18 -10.890 -1.482 -0.517 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.015 -0.714 -0.521 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.116 -2.518 0.452 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.926 -1.208 0.376 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.399 -2.311 0.989 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.360 -3.600 0.918 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -12.943 -3.143 1.965 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -10.901 -4.423 1.887 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.182 -4.191 2.401 1.00 0.00 C ATOM 0 H TRP A 18 -7.558 -0.732 -2.507 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.943 0.443 -0.308 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.958 -0.752 -2.276 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.288 -2.254 -1.672 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.167 0.157 -1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.850 -0.815 0.557 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.371 -3.788 0.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.931 -2.966 2.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.325 -5.260 2.254 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.577 -4.853 3.157 1.00 0.00 H new ATOM 249 N TYR A 19 -7.295 -2.389 0.194 1.00 0.00 N ATOM 250 CA TYR A 19 -6.739 -3.260 1.223 1.00 0.00 C ATOM 251 C TYR A 19 -5.775 -2.486 2.110 1.00 0.00 C ATOM 252 O TYR A 19 -5.812 -2.600 3.333 1.00 0.00 O ATOM 253 CB TYR A 19 -6.029 -4.446 0.569 1.00 0.00 C ATOM 254 CG TYR A 19 -5.424 -5.426 1.548 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.226 -6.176 2.398 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.052 -5.608 1.616 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.677 -7.079 3.286 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.496 -6.511 2.498 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.310 -7.244 3.331 1.00 0.00 C ATOM 260 OH TYR A 19 -3.754 -8.145 4.211 1.00 0.00 O ATOM 0 H TYR A 19 -7.092 -2.685 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.551 -3.634 1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.740 -4.976 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.241 -4.068 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.298 -6.051 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.407 -5.033 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.315 -7.653 3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.425 -6.642 2.535 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.782 -8.025 4.231 1.00 0.00 H new ATOM 270 N VAL A 20 -4.922 -1.697 1.476 1.00 0.00 N ATOM 271 CA VAL A 20 -3.983 -0.841 2.192 1.00 0.00 C ATOM 272 C VAL A 20 -4.713 0.094 3.157 1.00 0.00 C ATOM 273 O VAL A 20 -4.369 0.175 4.338 1.00 0.00 O ATOM 274 CB VAL A 20 -3.135 -0.001 1.213 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.245 0.972 1.967 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.299 -0.904 0.319 1.00 0.00 C ATOM 0 H VAL A 20 -4.859 -1.630 0.460 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.324 -1.496 2.761 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.814 0.575 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.657 1.553 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.863 1.644 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.575 0.418 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.708 -0.294 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.633 -1.509 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.956 -1.558 -0.255 1.00 0.00 H new ATOM 286 N TYR A 21 -5.734 0.778 2.653 1.00 0.00 N ATOM 287 CA TYR A 21 -6.472 1.759 3.441 1.00 0.00 C ATOM 288 C TYR A 21 -7.188 1.091 4.615 1.00 0.00 C ATOM 289 O TYR A 21 -7.275 1.661 5.705 1.00 0.00 O ATOM 290 CB TYR A 21 -7.477 2.494 2.549 1.00 0.00 C ATOM 291 CG TYR A 21 -8.043 3.751 3.165 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.265 4.894 3.295 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.355 3.796 3.613 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.782 6.044 3.855 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.878 4.942 4.172 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.087 6.064 4.291 1.00 0.00 C ATOM 297 OH TYR A 21 -9.604 7.211 4.849 1.00 0.00 O ATOM 0 H TYR A 21 -6.071 0.670 1.696 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.763 2.480 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.991 2.750 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.298 1.818 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.241 4.882 2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.977 2.918 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.165 6.925 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.902 4.961 4.515 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.538 7.059 5.104 1.00 0.00 H new ATOM 307 N ASP A 22 -7.686 -0.121 4.393 1.00 0.00 N ATOM 308 CA ASP A 22 -8.378 -0.868 5.441 1.00 0.00 C ATOM 309 C ASP A 22 -7.401 -1.331 6.519 1.00 0.00 C ATOM 310 O ASP A 22 -7.660 -1.181 7.713 1.00 0.00 O ATOM 311 CB ASP A 22 -9.111 -2.075 4.847 1.00 0.00 C ATOM 312 CG ASP A 22 -9.836 -2.891 5.902 1.00 0.00 C ATOM 313 OD1 ASP A 22 -10.967 -2.516 6.277 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.278 -3.913 6.359 1.00 0.00 O ATOM 0 H ASP A 22 -7.624 -0.608 3.499 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.108 -0.201 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.828 -1.730 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.395 -2.712 4.328 1.00 0.00 H new ATOM 319 N LYS A 23 -6.261 -1.863 6.087 1.00 0.00 N ATOM 320 CA LYS A 23 -5.262 -2.405 7.006 1.00 0.00 C ATOM 321 C LYS A 23 -4.638 -1.321 7.883 1.00 0.00 C ATOM 322 O LYS A 23 -4.137 -1.607 8.969 1.00 0.00 O ATOM 323 CB LYS A 23 -4.175 -3.143 6.225 1.00 0.00 C ATOM 324 CG LYS A 23 -4.648 -4.452 5.614 1.00 0.00 C ATOM 325 CD LYS A 23 -4.824 -5.537 6.667 1.00 0.00 C ATOM 326 CE LYS A 23 -3.479 -6.026 7.183 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.618 -7.128 8.170 1.00 0.00 N ATOM 0 H LYS A 23 -6.004 -1.931 5.102 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.773 -3.104 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.805 -2.494 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.335 -3.344 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.594 -4.291 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.928 -4.785 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.416 -5.150 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.379 -6.373 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.873 -6.368 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.945 -5.195 7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.720 -7.649 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.860 -6.732 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.372 -7.776 7.863 1.00 0.00 H new ATOM 341 N VAL A 24 -4.656 -0.079 7.418 1.00 0.00 N ATOM 342 CA VAL A 24 -4.152 1.026 8.224 1.00 0.00 C ATOM 343 C VAL A 24 -5.275 1.651 9.051 1.00 0.00 C ATOM 344 O VAL A 24 -5.060 2.624 9.771 1.00 0.00 O ATOM 345 CB VAL A 24 -3.470 2.120 7.369 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.285 1.545 6.610 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.460 2.771 6.413 1.00 0.00 C ATOM 0 H VAL A 24 -5.009 0.187 6.499 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.398 0.604 8.889 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.104 2.893 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.819 2.330 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.558 1.146 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.627 0.746 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.950 3.535 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.871 2.015 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.268 3.230 6.983 1.00 0.00 H new ATOM 357 N GLY A 25 -6.473 1.087 8.937 1.00 0.00 N ATOM 358 CA GLY A 25 -7.612 1.580 9.692 1.00 0.00 C ATOM 359 C GLY A 25 -8.031 2.972 9.266 1.00 0.00 C ATOM 360 O GLY A 25 -8.599 3.722 10.057 1.00 0.00 O ATOM 0 H GLY A 25 -6.677 0.292 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.451 0.896 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.365 1.587 10.754 1.00 0.00 H new ATOM 364 N GLY A 26 -7.751 3.314 8.016 1.00 0.00 N ATOM 365 CA GLY A 26 -8.064 4.638 7.518 1.00 0.00 C ATOM 366 C GLY A 26 -7.152 5.705 8.092 1.00 0.00 C ATOM 367 O GLY A 26 -7.501 6.882 8.095 1.00 0.00 O ATOM 0 H GLY A 26 -7.311 2.695 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.984 4.642 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.099 4.879 7.762 1.00 0.00 H new ATOM 371 N GLU A 27 -5.984 5.286 8.579 1.00 0.00 N ATOM 372 CA GLU A 27 -5.009 6.205 9.159 1.00 0.00 C ATOM 373 C GLU A 27 -4.578 7.247 8.135 1.00 0.00 C ATOM 374 O GLU A 27 -4.735 8.451 8.343 1.00 0.00 O ATOM 375 CB GLU A 27 -3.784 5.432 9.652 1.00 0.00 C ATOM 376 CG GLU A 27 -2.866 6.242 10.548 1.00 0.00 C ATOM 377 CD GLU A 27 -3.533 6.641 11.847 1.00 0.00 C ATOM 378 OE1 GLU A 27 -3.595 5.802 12.769 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.002 7.795 11.954 1.00 0.00 O ATOM 0 H GLU A 27 -5.690 4.309 8.582 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.478 6.713 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.119 4.548 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.217 5.081 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.970 5.661 10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.543 7.138 10.018 1.00 0.00 H new ATOM 386 N ILE A 28 -4.033 6.775 7.028 1.00 0.00 N ATOM 387 CA ILE A 28 -3.631 7.656 5.946 1.00 0.00 C ATOM 388 C ILE A 28 -4.408 7.298 4.689 1.00 0.00 C ATOM 389 O ILE A 28 -4.854 6.162 4.543 1.00 0.00 O ATOM 390 CB ILE A 28 -2.100 7.585 5.649 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.764 6.577 4.527 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.319 7.241 6.911 1.00 0.00 C ATOM 393 CD1 ILE A 28 -1.977 5.116 4.881 1.00 0.00 C ATOM 0 H ILE A 28 -3.858 5.785 6.855 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.853 8.676 6.258 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.802 8.574 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.372 6.814 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.722 6.715 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.255 7.197 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.495 8.006 7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.648 6.274 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.713 4.492 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.348 4.852 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.023 4.953 5.139 1.00 0.00 H new ATOM 405 N GLY A 29 -4.593 8.257 3.801 1.00 0.00 N ATOM 406 CA GLY A 29 -5.151 7.943 2.512 1.00 0.00 C ATOM 407 C GLY A 29 -6.297 8.837 2.120 1.00 0.00 C ATOM 408 O GLY A 29 -6.304 10.017 2.459 1.00 0.00 O ATOM 0 H GLY A 29 -4.368 9.241 3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.368 8.018 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.493 6.908 2.515 1.00 0.00 H new ATOM 412 N SER A 30 -7.245 8.248 1.387 1.00 0.00 N ATOM 413 CA SER A 30 -8.451 8.916 0.870 1.00 0.00 C ATOM 414 C SER A 30 -8.121 9.936 -0.229 1.00 0.00 C ATOM 415 O SER A 30 -8.805 9.998 -1.251 1.00 0.00 O ATOM 416 CB SER A 30 -9.285 9.563 1.998 1.00 0.00 C ATOM 417 OG SER A 30 -8.713 10.770 2.477 1.00 0.00 O ATOM 0 H SER A 30 -7.197 7.263 1.127 1.00 0.00 H new ATOM 0 HA SER A 30 -9.063 8.136 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.292 9.763 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.381 8.858 2.824 1.00 0.00 H new ATOM 0 HG SER A 30 -7.792 10.603 2.768 1.00 0.00 H new ATOM 423 N THR A 31 -7.064 10.709 -0.032 1.00 0.00 N ATOM 424 CA THR A 31 -6.684 11.748 -0.973 1.00 0.00 C ATOM 425 C THR A 31 -5.476 11.346 -1.820 1.00 0.00 C ATOM 426 O THR A 31 -4.963 12.153 -2.591 1.00 0.00 O ATOM 427 CB THR A 31 -6.362 13.048 -0.216 1.00 0.00 C ATOM 428 OG1 THR A 31 -5.619 12.738 0.970 1.00 0.00 O ATOM 429 CG2 THR A 31 -7.629 13.796 0.161 1.00 0.00 C ATOM 0 H THR A 31 -6.450 10.634 0.779 1.00 0.00 H new ATOM 0 HA THR A 31 -7.529 11.901 -1.644 1.00 0.00 H new ATOM 0 HB THR A 31 -5.772 13.688 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.550 13.538 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.367 14.710 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.184 14.050 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.246 13.166 0.802 1.00 0.00 H new ATOM 437 N TRP A 32 -5.026 10.098 -1.695 1.00 0.00 N ATOM 438 CA TRP A 32 -3.838 9.658 -2.426 1.00 0.00 C ATOM 439 C TRP A 32 -4.176 9.232 -3.861 1.00 0.00 C ATOM 440 O TRP A 32 -3.286 8.959 -4.667 1.00 0.00 O ATOM 441 CB TRP A 32 -3.109 8.529 -1.682 1.00 0.00 C ATOM 442 CG TRP A 32 -3.907 7.272 -1.533 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.794 6.766 -2.426 1.00 0.00 C ATOM 444 CD2 TRP A 32 -3.864 6.348 -0.445 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.326 5.603 -1.966 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.774 5.315 -0.746 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.154 6.296 0.752 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -4.989 4.241 0.111 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.367 5.226 1.603 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.279 4.213 1.279 1.00 0.00 C ATOM 0 H TRP A 32 -5.456 9.385 -1.106 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.167 10.515 -2.485 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.185 8.298 -2.212 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.827 8.886 -0.691 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.043 7.224 -3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.023 5.037 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.452 7.075 1.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.691 3.458 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.821 5.171 2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.424 3.393 1.966 1.00 0.00 H new ATOM 461 N GLY A 33 -5.465 9.165 -4.176 1.00 0.00 N ATOM 462 CA GLY A 33 -5.872 8.741 -5.501 1.00 0.00 C ATOM 463 C GLY A 33 -5.780 7.243 -5.672 1.00 0.00 C ATOM 464 O GLY A 33 -6.432 6.485 -4.951 1.00 0.00 O ATOM 0 H GLY A 33 -6.230 9.395 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.896 9.064 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.244 9.230 -6.246 1.00 0.00 H new ATOM 468 N ASN A 34 -4.970 6.818 -6.628 1.00 0.00 N ATOM 469 CA ASN A 34 -4.685 5.405 -6.805 1.00 0.00 C ATOM 470 C ASN A 34 -3.199 5.155 -6.624 1.00 0.00 C ATOM 471 O ASN A 34 -2.442 6.080 -6.334 1.00 0.00 O ATOM 472 CB ASN A 34 -5.145 4.895 -8.172 1.00 0.00 C ATOM 473 CG ASN A 34 -6.645 4.996 -8.354 1.00 0.00 C ATOM 474 OD1 ASN A 34 -7.392 4.098 -7.964 1.00 0.00 O ATOM 475 ND2 ASN A 34 -7.093 6.082 -8.959 1.00 0.00 N ATOM 0 H ASN A 34 -4.499 7.432 -7.293 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.244 4.854 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.648 5.467 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.837 3.856 -8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.093 6.201 -9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.438 6.802 -9.266 1.00 0.00 H new ATOM 482 N ALA A 35 -2.785 3.914 -6.828 1.00 0.00 N ATOM 483 CA ALA A 35 -1.443 3.475 -6.470 1.00 0.00 C ATOM 484 C ALA A 35 -0.339 4.292 -7.149 1.00 0.00 C ATOM 485 O ALA A 35 0.554 4.795 -6.481 1.00 0.00 O ATOM 486 CB ALA A 35 -1.283 1.998 -6.780 1.00 0.00 C ATOM 0 H ALA A 35 -3.365 3.186 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.329 3.641 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.277 1.676 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.013 1.425 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.444 1.830 -7.845 1.00 0.00 H new ATOM 492 N ASN A 36 -0.400 4.447 -8.462 1.00 0.00 N ATOM 493 CA ASN A 36 0.672 5.134 -9.191 1.00 0.00 C ATOM 494 C ASN A 36 0.607 6.650 -8.996 1.00 0.00 C ATOM 495 O ASN A 36 1.468 7.385 -9.475 1.00 0.00 O ATOM 496 CB ASN A 36 0.627 4.796 -10.687 1.00 0.00 C ATOM 497 CG ASN A 36 -0.581 5.376 -11.407 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.648 5.567 -10.821 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.420 5.653 -12.693 1.00 0.00 N ATOM 0 H ASN A 36 -1.167 4.114 -9.045 1.00 0.00 H new ATOM 0 HA ASN A 36 1.616 4.778 -8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.535 5.167 -11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.625 3.713 -10.806 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.195 6.038 -13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.479 5.481 -13.143 1.00 0.00 H new ATOM 506 N ASN A 37 -0.407 7.108 -8.281 1.00 0.00 N ATOM 507 CA ASN A 37 -0.586 8.529 -8.009 1.00 0.00 C ATOM 508 C ASN A 37 -0.223 8.818 -6.551 1.00 0.00 C ATOM 509 O ASN A 37 -0.249 9.962 -6.100 1.00 0.00 O ATOM 510 CB ASN A 37 -2.043 8.919 -8.318 1.00 0.00 C ATOM 511 CG ASN A 37 -2.344 10.402 -8.154 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.090 11.208 -9.053 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.930 10.763 -7.025 1.00 0.00 N ATOM 0 H ASN A 37 -1.127 6.511 -7.874 1.00 0.00 H new ATOM 0 HA ASN A 37 0.071 9.125 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.276 8.624 -9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.705 8.352 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.189 11.738 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.123 10.066 -6.305 1.00 0.00 H new ATOM 520 N TRP A 38 0.175 7.760 -5.846 1.00 0.00 N ATOM 521 CA TRP A 38 0.410 7.804 -4.403 1.00 0.00 C ATOM 522 C TRP A 38 1.390 8.880 -3.968 1.00 0.00 C ATOM 523 O TRP A 38 0.998 9.844 -3.326 1.00 0.00 O ATOM 524 CB TRP A 38 0.925 6.465 -3.912 1.00 0.00 C ATOM 525 CG TRP A 38 -0.104 5.696 -3.170 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.392 5.466 -3.545 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.078 5.059 -1.913 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.027 4.720 -2.594 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.141 4.455 -1.571 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.165 4.939 -1.048 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.300 3.747 -0.383 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.005 4.239 0.122 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.216 3.652 0.446 1.00 0.00 C ATOM 0 H TRP A 38 0.344 6.844 -6.261 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.557 8.044 -3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.269 5.878 -4.763 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.788 6.626 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.845 5.821 -4.459 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.998 4.410 -2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.116 5.389 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.244 3.290 -0.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.839 4.142 0.802 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.309 3.108 1.375 1.00 0.00 H new ATOM 544 N ALA A 39 2.665 8.692 -4.298 1.00 0.00 N ATOM 545 CA ALA A 39 3.730 9.566 -3.807 1.00 0.00 C ATOM 546 C ALA A 39 3.404 11.040 -4.035 1.00 0.00 C ATOM 547 O ALA A 39 3.673 11.882 -3.181 1.00 0.00 O ATOM 548 CB ALA A 39 5.054 9.198 -4.459 1.00 0.00 C ATOM 0 H ALA A 39 2.988 7.939 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 39 3.814 9.418 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.839 9.856 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.303 8.164 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.971 9.310 -5.540 1.00 0.00 H new ATOM 554 N ALA A 40 2.793 11.337 -5.171 1.00 0.00 N ATOM 555 CA ALA A 40 2.416 12.701 -5.501 1.00 0.00 C ATOM 556 C ALA A 40 1.251 13.182 -4.636 1.00 0.00 C ATOM 557 O ALA A 40 1.307 14.265 -4.046 1.00 0.00 O ATOM 558 CB ALA A 40 2.057 12.789 -6.972 1.00 0.00 C ATOM 0 H ALA A 40 2.547 10.648 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 40 3.266 13.352 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.775 13.813 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.917 12.496 -7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.221 12.122 -7.183 1.00 0.00 H new ATOM 564 N ALA A 41 0.205 12.366 -4.554 1.00 0.00 N ATOM 565 CA ALA A 41 -0.995 12.719 -3.804 1.00 0.00 C ATOM 566 C ALA A 41 -0.730 12.740 -2.306 1.00 0.00 C ATOM 567 O ALA A 41 -1.199 13.627 -1.601 1.00 0.00 O ATOM 568 CB ALA A 41 -2.118 11.749 -4.125 1.00 0.00 C ATOM 0 H ALA A 41 0.165 11.450 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.293 13.724 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.008 12.023 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.339 11.789 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.814 10.738 -3.855 1.00 0.00 H new ATOM 574 N ALA A 42 0.033 11.764 -1.833 1.00 0.00 N ATOM 575 CA ALA A 42 0.369 11.654 -0.422 1.00 0.00 C ATOM 576 C ALA A 42 1.023 12.940 0.084 1.00 0.00 C ATOM 577 O ALA A 42 0.717 13.412 1.178 1.00 0.00 O ATOM 578 CB ALA A 42 1.292 10.467 -0.199 1.00 0.00 C ATOM 0 H ALA A 42 0.435 11.029 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.551 11.499 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.539 10.392 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.793 9.553 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.207 10.604 -0.776 1.00 0.00 H new ATOM 584 N GLN A 43 1.910 13.512 -0.727 1.00 0.00 N ATOM 585 CA GLN A 43 2.591 14.752 -0.365 1.00 0.00 C ATOM 586 C GLN A 43 1.607 15.917 -0.331 1.00 0.00 C ATOM 587 O GLN A 43 1.680 16.776 0.548 1.00 0.00 O ATOM 588 CB GLN A 43 3.727 15.055 -1.343 1.00 0.00 C ATOM 589 CG GLN A 43 4.842 14.024 -1.316 1.00 0.00 C ATOM 590 CD GLN A 43 6.022 14.423 -2.175 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.082 14.100 -3.359 1.00 0.00 O ATOM 592 NE2 GLN A 43 6.972 15.124 -1.579 1.00 0.00 N ATOM 0 H GLN A 43 2.174 13.137 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 43 3.015 14.622 0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.321 15.112 -2.353 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.144 16.035 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.176 13.882 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.454 13.065 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.882 15.371 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.795 15.418 -2.105 1.00 0.00 H new ATOM 601 N GLY A 44 0.683 15.935 -1.285 1.00 0.00 N ATOM 602 CA GLY A 44 -0.331 16.973 -1.318 1.00 0.00 C ATOM 603 C GLY A 44 -1.315 16.835 -0.176 1.00 0.00 C ATOM 604 O GLY A 44 -1.840 17.827 0.330 1.00 0.00 O ATOM 0 H GLY A 44 0.618 15.249 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.148 17.951 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.866 16.928 -2.266 1.00 0.00 H new ATOM 608 N ALA A 45 -1.559 15.595 0.229 1.00 0.00 N ATOM 609 CA ALA A 45 -2.428 15.307 1.359 1.00 0.00 C ATOM 610 C ALA A 45 -1.770 15.729 2.664 1.00 0.00 C ATOM 611 O ALA A 45 -2.445 16.151 3.603 1.00 0.00 O ATOM 612 CB ALA A 45 -2.766 13.828 1.393 1.00 0.00 C ATOM 0 H ALA A 45 -1.162 14.767 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.350 15.877 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.417 13.623 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.275 13.550 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.849 13.247 1.490 1.00 0.00 H new ATOM 618 N GLY A 46 -0.450 15.613 2.714 1.00 0.00 N ATOM 619 CA GLY A 46 0.284 16.027 3.890 1.00 0.00 C ATOM 620 C GLY A 46 0.976 14.876 4.589 1.00 0.00 C ATOM 621 O GLY A 46 1.250 14.948 5.787 1.00 0.00 O ATOM 0 H GLY A 46 0.125 15.239 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.027 16.772 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.400 16.510 4.587 1.00 0.00 H new ATOM 625 N PHE A 47 1.261 13.810 3.853 1.00 0.00 N ATOM 626 CA PHE A 47 1.964 12.669 4.423 1.00 0.00 C ATOM 627 C PHE A 47 3.463 12.859 4.251 1.00 0.00 C ATOM 628 O PHE A 47 3.908 13.521 3.311 1.00 0.00 O ATOM 629 CB PHE A 47 1.560 11.350 3.744 1.00 0.00 C ATOM 630 CG PHE A 47 0.079 11.099 3.634 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.836 11.787 4.417 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.393 10.165 2.730 1.00 0.00 C ATOM 633 CE1 PHE A 47 -2.192 11.545 4.293 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.743 9.915 2.600 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.644 10.608 3.382 1.00 0.00 C ATOM 0 H PHE A 47 1.018 13.712 2.867 1.00 0.00 H new ATOM 0 HA PHE A 47 1.696 12.613 5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.988 11.333 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.010 10.525 4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.486 12.519 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.308 9.621 2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.897 12.087 4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.093 9.181 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.703 10.419 3.283 1.00 0.00 H new ATOM 645 N THR A 48 4.234 12.284 5.152 1.00 0.00 N ATOM 646 CA THR A 48 5.677 12.296 5.032 1.00 0.00 C ATOM 647 C THR A 48 6.119 11.161 4.110 1.00 0.00 C ATOM 648 O THR A 48 5.990 9.979 4.448 1.00 0.00 O ATOM 649 CB THR A 48 6.348 12.146 6.412 1.00 0.00 C ATOM 650 OG1 THR A 48 5.725 13.033 7.354 1.00 0.00 O ATOM 651 CG2 THR A 48 7.835 12.463 6.328 1.00 0.00 C ATOM 0 H THR A 48 3.883 11.801 5.979 1.00 0.00 H new ATOM 0 HA THR A 48 5.984 13.253 4.610 1.00 0.00 H new ATOM 0 HB THR A 48 6.228 11.114 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.062 12.539 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.287 12.351 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.314 11.778 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.970 13.488 5.982 1.00 0.00 H new ATOM 659 N VAL A 49 6.596 11.523 2.930 1.00 0.00 N ATOM 660 CA VAL A 49 6.971 10.544 1.922 1.00 0.00 C ATOM 661 C VAL A 49 8.431 10.135 2.048 1.00 0.00 C ATOM 662 O VAL A 49 9.338 10.961 1.943 1.00 0.00 O ATOM 663 CB VAL A 49 6.683 11.076 0.501 1.00 0.00 C ATOM 664 CG1 VAL A 49 7.398 10.252 -0.567 1.00 0.00 C ATOM 665 CG2 VAL A 49 5.185 11.076 0.256 1.00 0.00 C ATOM 0 H VAL A 49 6.733 12.493 2.646 1.00 0.00 H new ATOM 0 HA VAL A 49 6.361 9.657 2.093 1.00 0.00 H new ATOM 0 HB VAL A 49 7.065 12.094 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.170 10.658 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.474 10.292 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.061 9.217 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.980 11.451 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.801 10.060 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.696 11.717 0.990 1.00 0.00 H new ATOM 675 N ASN A 50 8.637 8.849 2.288 1.00 0.00 N ATOM 676 CA ASN A 50 9.949 8.272 2.372 1.00 0.00 C ATOM 677 C ASN A 50 9.984 7.129 1.379 1.00 0.00 C ATOM 678 O ASN A 50 9.131 7.040 0.492 1.00 0.00 O ATOM 679 CB ASN A 50 10.224 7.721 3.783 1.00 0.00 C ATOM 680 CG ASN A 50 10.083 8.730 4.906 1.00 0.00 C ATOM 681 OD1 ASN A 50 9.346 9.707 4.821 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.771 8.470 6.001 1.00 0.00 N ATOM 0 H ASN A 50 7.882 8.178 2.430 1.00 0.00 H new ATOM 0 HA ASN A 50 10.705 9.027 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.542 6.892 3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.235 7.313 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.698 9.090 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.375 7.649 6.041 1.00 0.00 H new ATOM 689 N HIS A 51 10.931 6.241 1.546 1.00 0.00 N ATOM 690 CA HIS A 51 11.007 5.056 0.717 1.00 0.00 C ATOM 691 C HIS A 51 11.794 3.953 1.422 1.00 0.00 C ATOM 692 O HIS A 51 12.917 3.615 1.048 1.00 0.00 O ATOM 693 CB HIS A 51 11.592 5.378 -0.672 1.00 0.00 C ATOM 694 CG HIS A 51 12.958 6.008 -0.668 1.00 0.00 C ATOM 695 ND1 HIS A 51 14.086 5.362 -1.129 1.00 0.00 N ATOM 696 CD2 HIS A 51 13.369 7.239 -0.278 1.00 0.00 C ATOM 697 CE1 HIS A 51 15.126 6.165 -1.020 1.00 0.00 C ATOM 698 NE2 HIS A 51 14.721 7.308 -0.510 1.00 0.00 N ATOM 0 H HIS A 51 11.665 6.313 2.251 1.00 0.00 H new ATOM 0 HA HIS A 51 9.993 4.689 0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.638 4.455 -1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.904 6.046 -1.191 1.00 0.00 H new ATOM 0 HD1 HIS A 51 14.112 4.411 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 51 12.749 8.020 0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 51 16.140 5.925 -1.302 1.00 0.00 H new ATOM 707 N THR A 52 11.199 3.438 2.485 1.00 0.00 N ATOM 708 CA THR A 52 11.776 2.358 3.270 1.00 0.00 C ATOM 709 C THR A 52 10.664 1.638 4.032 1.00 0.00 C ATOM 710 O THR A 52 10.276 2.063 5.123 1.00 0.00 O ATOM 711 CB THR A 52 12.827 2.888 4.274 1.00 0.00 C ATOM 712 OG1 THR A 52 13.818 3.664 3.584 1.00 0.00 O ATOM 713 CG2 THR A 52 13.505 1.743 5.010 1.00 0.00 C ATOM 0 H THR A 52 10.295 3.760 2.831 1.00 0.00 H new ATOM 0 HA THR A 52 12.275 1.669 2.588 1.00 0.00 H new ATOM 0 HB THR A 52 12.312 3.514 5.002 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.807 3.436 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.239 2.144 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.757 1.169 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.005 1.094 4.291 1.00 0.00 H new ATOM 721 N PRO A 53 10.099 0.572 3.446 1.00 0.00 N ATOM 722 CA PRO A 53 8.980 -0.163 4.046 1.00 0.00 C ATOM 723 C PRO A 53 9.306 -0.751 5.420 1.00 0.00 C ATOM 724 O PRO A 53 10.457 -1.073 5.723 1.00 0.00 O ATOM 725 CB PRO A 53 8.698 -1.283 3.037 1.00 0.00 C ATOM 726 CG PRO A 53 9.943 -1.395 2.228 1.00 0.00 C ATOM 727 CD PRO A 53 10.494 -0.006 2.150 1.00 0.00 C ATOM 0 HA PRO A 53 8.130 0.495 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.470 -2.221 3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.840 -1.042 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.656 -2.074 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.731 -1.790 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.576 -0.006 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.072 0.551 1.313 1.00 0.00 H new ATOM 735 N SER A 54 8.274 -0.888 6.237 1.00 0.00 N ATOM 736 CA SER A 54 8.392 -1.422 7.582 1.00 0.00 C ATOM 737 C SER A 54 6.990 -1.735 8.088 1.00 0.00 C ATOM 738 O SER A 54 6.014 -1.420 7.412 1.00 0.00 O ATOM 739 CB SER A 54 9.094 -0.409 8.502 1.00 0.00 C ATOM 740 OG SER A 54 9.299 -0.937 9.806 1.00 0.00 O ATOM 0 H SER A 54 7.321 -0.628 5.981 1.00 0.00 H new ATOM 0 HA SER A 54 8.995 -2.330 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.054 -0.128 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.495 0.499 8.567 1.00 0.00 H new ATOM 0 HG SER A 54 9.749 -0.268 10.363 1.00 0.00 H new ATOM 746 N LYS A 55 6.877 -2.349 9.254 1.00 0.00 N ATOM 747 CA LYS A 55 5.569 -2.701 9.789 1.00 0.00 C ATOM 748 C LYS A 55 4.728 -1.446 10.015 1.00 0.00 C ATOM 749 O LYS A 55 5.127 -0.547 10.759 1.00 0.00 O ATOM 750 CB LYS A 55 5.718 -3.484 11.095 1.00 0.00 C ATOM 751 CG LYS A 55 4.390 -3.844 11.742 1.00 0.00 C ATOM 752 CD LYS A 55 4.583 -4.727 12.960 1.00 0.00 C ATOM 753 CE LYS A 55 3.253 -5.091 13.600 1.00 0.00 C ATOM 754 NZ LYS A 55 2.380 -5.871 12.682 1.00 0.00 N ATOM 0 H LYS A 55 7.666 -2.613 9.845 1.00 0.00 H new ATOM 0 HA LYS A 55 5.059 -3.333 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.277 -4.399 10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.307 -2.895 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.867 -2.933 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.758 -4.357 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.110 -5.636 12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.210 -4.212 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.434 -5.670 14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.736 -4.180 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.555 -5.296 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.915 -6.127 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.058 -6.736 13.161 1.00 0.00 H new ATOM 768 N GLY A 56 3.579 -1.381 9.355 1.00 0.00 N ATOM 769 CA GLY A 56 2.722 -0.218 9.472 1.00 0.00 C ATOM 770 C GLY A 56 2.983 0.790 8.372 1.00 0.00 C ATOM 771 O GLY A 56 2.489 1.917 8.416 1.00 0.00 O ATOM 0 H GLY A 56 3.225 -2.114 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.679 -0.531 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.881 0.254 10.442 1.00 0.00 H new ATOM 775 N ALA A 57 3.773 0.383 7.389 1.00 0.00 N ATOM 776 CA ALA A 57 4.086 1.233 6.256 1.00 0.00 C ATOM 777 C ALA A 57 3.479 0.665 4.984 1.00 0.00 C ATOM 778 O ALA A 57 2.663 -0.253 5.037 1.00 0.00 O ATOM 779 CB ALA A 57 5.586 1.378 6.102 1.00 0.00 C ATOM 0 H ALA A 57 4.210 -0.538 7.356 1.00 0.00 H new ATOM 0 HA ALA A 57 3.658 2.219 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.804 2.019 5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.003 1.823 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.032 0.396 5.942 1.00 0.00 H new ATOM 785 N ILE A 58 3.878 1.205 3.837 1.00 0.00 N ATOM 786 CA ILE A 58 3.333 0.759 2.563 1.00 0.00 C ATOM 787 C ILE A 58 4.450 0.555 1.537 1.00 0.00 C ATOM 788 O ILE A 58 5.632 0.619 1.872 1.00 0.00 O ATOM 789 CB ILE A 58 2.317 1.756 1.984 1.00 0.00 C ATOM 790 CG1 ILE A 58 1.747 2.672 3.074 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.198 0.995 1.288 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.649 2.053 3.916 1.00 0.00 C ATOM 0 H ILE A 58 4.573 1.948 3.765 1.00 0.00 H new ATOM 0 HA ILE A 58 2.824 -0.185 2.760 1.00 0.00 H new ATOM 0 HB ILE A 58 2.829 2.390 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.560 2.980 3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.359 3.575 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.477 1.702 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.615 0.392 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.699 0.344 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.309 2.775 4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.186 1.772 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.033 1.167 4.421 1.00 0.00 H new ATOM 804 N LEU A 59 4.062 0.302 0.296 1.00 0.00 N ATOM 805 CA LEU A 59 4.999 0.129 -0.801 1.00 0.00 C ATOM 806 C LEU A 59 4.474 0.887 -2.013 1.00 0.00 C ATOM 807 O LEU A 59 3.287 1.204 -2.065 1.00 0.00 O ATOM 808 CB LEU A 59 5.140 -1.356 -1.141 1.00 0.00 C ATOM 809 CG LEU A 59 6.402 -1.730 -1.902 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.578 -1.847 -0.944 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.195 -3.017 -2.680 1.00 0.00 C ATOM 0 H LEU A 59 3.084 0.211 0.022 1.00 0.00 H new ATOM 0 HA LEU A 59 5.977 0.515 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.111 -1.929 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.276 -1.661 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 59 6.627 -0.941 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.476 -2.115 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.734 -0.892 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.368 -2.617 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.109 -3.268 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.947 -3.823 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.380 -2.885 -3.392 1.00 0.00 H new ATOM 823 N GLN A 60 5.336 1.165 -2.985 1.00 0.00 N ATOM 824 CA GLN A 60 4.928 1.926 -4.163 1.00 0.00 C ATOM 825 C GLN A 60 5.835 1.680 -5.359 1.00 0.00 C ATOM 826 O GLN A 60 7.055 1.803 -5.280 1.00 0.00 O ATOM 827 CB GLN A 60 4.880 3.422 -3.823 1.00 0.00 C ATOM 828 CG GLN A 60 5.261 4.363 -4.965 1.00 0.00 C ATOM 829 CD GLN A 60 4.279 4.361 -6.119 1.00 0.00 C ATOM 830 OE1 GLN A 60 4.655 4.581 -7.271 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.020 4.117 -5.822 1.00 0.00 N ATOM 0 H GLN A 60 6.315 0.878 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 60 3.934 1.582 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.872 3.670 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.548 3.608 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.344 5.377 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.246 4.084 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.749 3.940 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.315 4.105 -6.559 1.00 0.00 H new ATOM 840 N SER A 61 5.195 1.340 -6.467 1.00 0.00 N ATOM 841 CA SER A 61 5.851 1.219 -7.750 1.00 0.00 C ATOM 842 C SER A 61 4.935 1.799 -8.825 1.00 0.00 C ATOM 843 O SER A 61 3.710 1.753 -8.690 1.00 0.00 O ATOM 844 CB SER A 61 6.162 -0.247 -8.045 1.00 0.00 C ATOM 845 OG SER A 61 6.838 -0.398 -9.280 1.00 0.00 O ATOM 0 H SER A 61 4.195 1.139 -6.496 1.00 0.00 H new ATOM 0 HA SER A 61 6.792 1.769 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.774 -0.659 -7.242 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.235 -0.819 -8.065 1.00 0.00 H new ATOM 0 HG SER A 61 7.023 -1.347 -9.437 1.00 0.00 H new ATOM 851 N SER A 62 5.517 2.355 -9.873 1.00 0.00 N ATOM 852 CA SER A 62 4.739 2.949 -10.950 1.00 0.00 C ATOM 853 C SER A 62 4.899 2.143 -12.236 1.00 0.00 C ATOM 854 O SER A 62 4.728 2.663 -13.335 1.00 0.00 O ATOM 855 CB SER A 62 5.180 4.396 -11.168 1.00 0.00 C ATOM 856 OG SER A 62 5.021 5.158 -9.981 1.00 0.00 O ATOM 0 H SER A 62 6.527 2.408 -10.003 1.00 0.00 H new ATOM 0 HA SER A 62 3.685 2.937 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.223 4.419 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.595 4.842 -11.972 1.00 0.00 H new ATOM 0 HG SER A 62 4.884 4.555 -9.221 1.00 0.00 H new ATOM 862 N GLU A 63 5.202 0.858 -12.090 1.00 0.00 N ATOM 863 CA GLU A 63 5.407 -0.017 -13.242 1.00 0.00 C ATOM 864 C GLU A 63 4.084 -0.609 -13.729 1.00 0.00 C ATOM 865 O GLU A 63 4.053 -1.714 -14.272 1.00 0.00 O ATOM 866 CB GLU A 63 6.369 -1.153 -12.882 1.00 0.00 C ATOM 867 CG GLU A 63 7.679 -0.689 -12.263 1.00 0.00 C ATOM 868 CD GLU A 63 8.404 0.339 -13.104 1.00 0.00 C ATOM 869 OE1 GLU A 63 9.028 -0.043 -14.113 1.00 0.00 O ATOM 870 OE2 GLU A 63 8.367 1.535 -12.747 1.00 0.00 O ATOM 0 H GLU A 63 5.311 0.398 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 63 5.836 0.585 -14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.871 -1.829 -12.187 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.589 -1.727 -13.782 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.479 -0.267 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.329 -1.551 -12.115 1.00 0.00 H new ATOM 877 N GLY A 64 3.000 0.136 -13.554 1.00 0.00 N ATOM 878 CA GLY A 64 1.690 -0.353 -13.935 1.00 0.00 C ATOM 879 C GLY A 64 0.699 0.772 -14.149 1.00 0.00 C ATOM 880 O GLY A 64 0.944 1.897 -13.712 1.00 0.00 O ATOM 0 H GLY A 64 3.006 1.074 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.775 -0.939 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.315 -1.023 -13.161 1.00 0.00 H new ATOM 884 N PRO A 65 -0.441 0.491 -14.807 1.00 0.00 N ATOM 885 CA PRO A 65 -1.454 1.509 -15.123 1.00 0.00 C ATOM 886 C PRO A 65 -2.109 2.097 -13.874 1.00 0.00 C ATOM 887 O PRO A 65 -2.333 3.304 -13.789 1.00 0.00 O ATOM 888 CB PRO A 65 -2.486 0.748 -15.964 1.00 0.00 C ATOM 889 CG PRO A 65 -2.286 -0.689 -15.627 1.00 0.00 C ATOM 890 CD PRO A 65 -0.826 -0.842 -15.300 1.00 0.00 C ATOM 0 HA PRO A 65 -1.015 2.364 -15.638 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.500 1.070 -15.728 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.335 0.927 -17.029 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.908 -0.981 -14.780 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.567 -1.328 -16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.662 -1.611 -14.545 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.246 -1.128 -16.178 1.00 0.00 H new ATOM 898 N PHE A 66 -2.419 1.238 -12.912 1.00 0.00 N ATOM 899 CA PHE A 66 -2.990 1.685 -11.650 1.00 0.00 C ATOM 900 C PHE A 66 -1.887 1.957 -10.640 1.00 0.00 C ATOM 901 O PHE A 66 -2.091 2.680 -9.666 1.00 0.00 O ATOM 902 CB PHE A 66 -3.956 0.643 -11.080 1.00 0.00 C ATOM 903 CG PHE A 66 -5.221 0.485 -11.872 1.00 0.00 C ATOM 904 CD1 PHE A 66 -6.250 1.403 -11.745 1.00 0.00 C ATOM 905 CD2 PHE A 66 -5.383 -0.583 -12.738 1.00 0.00 C ATOM 906 CE1 PHE A 66 -7.418 1.259 -12.468 1.00 0.00 C ATOM 907 CE2 PHE A 66 -6.549 -0.734 -13.461 1.00 0.00 C ATOM 908 CZ PHE A 66 -7.567 0.188 -13.327 1.00 0.00 C ATOM 0 H PHE A 66 -2.285 0.229 -12.982 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.543 2.604 -11.843 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.448 -0.320 -11.031 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.212 0.921 -10.058 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.138 2.241 -11.073 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.588 -1.306 -12.849 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.213 1.982 -12.362 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.665 -1.573 -14.131 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.479 0.072 -13.893 1.00 0.00 H new ATOM 918 N GLY A 67 -0.720 1.380 -10.890 1.00 0.00 N ATOM 919 CA GLY A 67 0.389 1.497 -9.966 1.00 0.00 C ATOM 920 C GLY A 67 0.457 0.318 -9.024 1.00 0.00 C ATOM 921 O GLY A 67 -0.389 -0.570 -9.080 1.00 0.00 O ATOM 0 H GLY A 67 -0.521 0.828 -11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.322 1.571 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.288 2.417 -9.391 1.00 0.00 H new ATOM 925 N HIS A 68 1.450 0.310 -8.148 1.00 0.00 N ATOM 926 CA HIS A 68 1.630 -0.794 -7.216 1.00 0.00 C ATOM 927 C HIS A 68 1.857 -0.289 -5.802 1.00 0.00 C ATOM 928 O HIS A 68 2.978 0.070 -5.454 1.00 0.00 O ATOM 929 CB HIS A 68 2.842 -1.637 -7.618 1.00 0.00 C ATOM 930 CG HIS A 68 2.926 -2.960 -6.904 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.037 -3.782 -6.949 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.023 -3.601 -6.123 1.00 0.00 C ATOM 933 CE1 HIS A 68 3.806 -4.866 -6.229 1.00 0.00 C ATOM 934 NE2 HIS A 68 2.594 -4.776 -5.719 1.00 0.00 N ATOM 0 H HIS A 68 2.143 1.054 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 68 0.721 -1.394 -7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.808 -1.816 -8.693 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.750 -1.069 -7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.035 -3.249 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.493 -5.686 -6.083 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.152 -5.472 -5.118 1.00 0.00 H new ATOM 943 N VAL A 69 0.813 -0.237 -4.995 1.00 0.00 N ATOM 944 CA VAL A 69 0.995 0.008 -3.578 1.00 0.00 C ATOM 945 C VAL A 69 0.500 -1.180 -2.765 1.00 0.00 C ATOM 946 O VAL A 69 -0.590 -1.703 -3.001 1.00 0.00 O ATOM 947 CB VAL A 69 0.311 1.308 -3.113 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.902 2.492 -3.858 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.198 1.246 -3.306 1.00 0.00 C ATOM 0 H VAL A 69 -0.155 -0.359 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 69 2.064 0.134 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 69 0.495 1.430 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.416 3.410 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.971 2.553 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.744 2.364 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.647 2.180 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.424 1.097 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.605 0.417 -2.727 1.00 0.00 H new ATOM 959 N ALA A 70 1.327 -1.623 -1.837 1.00 0.00 N ATOM 960 CA ALA A 70 1.002 -2.763 -1.001 1.00 0.00 C ATOM 961 C ALA A 70 1.352 -2.459 0.444 1.00 0.00 C ATOM 962 O ALA A 70 2.407 -1.898 0.724 1.00 0.00 O ATOM 963 CB ALA A 70 1.741 -4.000 -1.484 1.00 0.00 C ATOM 0 H ALA A 70 2.237 -1.206 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.068 -2.959 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.487 -4.847 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.451 -4.219 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.816 -3.822 -1.440 1.00 0.00 H new ATOM 969 N TYR A 71 0.464 -2.822 1.349 1.00 0.00 N ATOM 970 CA TYR A 71 0.638 -2.508 2.754 1.00 0.00 C ATOM 971 C TYR A 71 1.666 -3.439 3.395 1.00 0.00 C ATOM 972 O TYR A 71 1.661 -4.644 3.159 1.00 0.00 O ATOM 973 CB TYR A 71 -0.713 -2.590 3.470 1.00 0.00 C ATOM 974 CG TYR A 71 -0.606 -2.662 4.975 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.380 -1.522 5.737 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.730 -3.878 5.629 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.278 -1.596 7.114 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.630 -3.958 7.004 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.404 -2.816 7.742 1.00 0.00 C ATOM 980 OH TYR A 71 -0.298 -2.898 9.111 1.00 0.00 O ATOM 0 H TYR A 71 -0.390 -3.337 1.135 1.00 0.00 H new ATOM 0 HA TYR A 71 1.019 -1.491 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.310 -1.719 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.250 -3.468 3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.283 -0.565 5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.907 -4.776 5.055 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.101 -0.702 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.729 -4.912 7.500 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.412 -3.830 9.393 1.00 0.00 H new ATOM 990 N VAL A 72 2.545 -2.862 4.199 1.00 0.00 N ATOM 991 CA VAL A 72 3.609 -3.618 4.845 1.00 0.00 C ATOM 992 C VAL A 72 3.185 -4.050 6.245 1.00 0.00 C ATOM 993 O VAL A 72 2.856 -3.212 7.086 1.00 0.00 O ATOM 994 CB VAL A 72 4.903 -2.788 4.958 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.081 -3.689 5.300 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.158 -1.989 3.684 1.00 0.00 C ATOM 0 H VAL A 72 2.543 -1.867 4.421 1.00 0.00 H new ATOM 0 HA VAL A 72 3.800 -4.494 4.225 1.00 0.00 H new ATOM 0 HB VAL A 72 4.782 -2.069 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.988 -3.089 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.894 -4.187 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.206 -4.437 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.077 -1.414 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.255 -2.672 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.324 -1.310 3.507 1.00 0.00 H new ATOM 1006 N GLU A 73 3.213 -5.352 6.504 1.00 0.00 N ATOM 1007 CA GLU A 73 2.748 -5.873 7.783 1.00 0.00 C ATOM 1008 C GLU A 73 3.905 -6.115 8.739 1.00 0.00 C ATOM 1009 O GLU A 73 3.700 -6.205 9.950 1.00 0.00 O ATOM 1010 CB GLU A 73 1.958 -7.171 7.596 1.00 0.00 C ATOM 1011 CG GLU A 73 0.694 -7.000 6.778 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.245 -8.180 6.902 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.102 -9.146 6.123 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.136 -8.143 7.775 1.00 0.00 O ATOM 0 H GLU A 73 3.550 -6.060 5.852 1.00 0.00 H new ATOM 0 HA GLU A 73 2.092 -5.117 8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.597 -7.909 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.696 -7.571 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.178 -6.095 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.960 -6.861 5.730 1.00 0.00 H new ATOM 1021 N SER A 74 5.114 -6.224 8.200 1.00 0.00 N ATOM 1022 CA SER A 74 6.285 -6.506 9.018 1.00 0.00 C ATOM 1023 C SER A 74 7.570 -6.440 8.197 1.00 0.00 C ATOM 1024 O SER A 74 7.545 -6.572 6.970 1.00 0.00 O ATOM 1025 CB SER A 74 6.152 -7.889 9.665 1.00 0.00 C ATOM 1026 OG SER A 74 5.777 -8.866 8.705 1.00 0.00 O ATOM 0 H SER A 74 5.307 -6.122 7.204 1.00 0.00 H new ATOM 0 HA SER A 74 6.341 -5.743 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.099 -8.171 10.126 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.408 -7.852 10.461 1.00 0.00 H new ATOM 0 HG SER A 74 5.700 -9.740 9.141 1.00 0.00 H new ATOM 1032 N VAL A 75 8.678 -6.219 8.884 1.00 0.00 N ATOM 1033 CA VAL A 75 9.996 -6.293 8.274 1.00 0.00 C ATOM 1034 C VAL A 75 10.711 -7.541 8.787 1.00 0.00 C ATOM 1035 O VAL A 75 10.623 -7.871 9.971 1.00 0.00 O ATOM 1036 CB VAL A 75 10.844 -5.025 8.554 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.058 -4.815 10.050 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.181 -5.092 7.820 1.00 0.00 C ATOM 0 H VAL A 75 8.690 -5.984 9.876 1.00 0.00 H new ATOM 0 HA VAL A 75 9.870 -6.352 7.193 1.00 0.00 H new ATOM 0 HB VAL A 75 10.288 -4.167 8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.656 -3.918 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.093 -4.700 10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.578 -5.677 10.468 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.758 -4.192 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.737 -5.967 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.004 -5.165 6.747 1.00 0.00 H new ATOM 1048 N ASN A 76 11.393 -8.237 7.897 1.00 0.00 N ATOM 1049 CA ASN A 76 12.007 -9.512 8.231 1.00 0.00 C ATOM 1050 C ASN A 76 13.392 -9.308 8.829 1.00 0.00 C ATOM 1051 O ASN A 76 13.905 -8.187 8.876 1.00 0.00 O ATOM 1052 CB ASN A 76 12.089 -10.402 6.988 1.00 0.00 C ATOM 1053 CG ASN A 76 10.725 -10.685 6.383 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.715 -10.750 7.089 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.680 -10.842 5.070 1.00 0.00 N ATOM 0 H ASN A 76 11.537 -7.940 6.932 1.00 0.00 H new ATOM 0 HA ASN A 76 11.385 -10.006 8.977 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.721 -9.921 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.569 -11.345 7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.789 -11.024 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.537 -10.781 4.519 1.00 0.00 H new ATOM 1062 N SER A 77 13.996 -10.400 9.275 1.00 0.00 N ATOM 1063 CA SER A 77 15.284 -10.356 9.949 1.00 0.00 C ATOM 1064 C SER A 77 16.423 -10.101 8.959 1.00 0.00 C ATOM 1065 O SER A 77 17.440 -9.503 9.314 1.00 0.00 O ATOM 1066 CB SER A 77 15.512 -11.676 10.690 1.00 0.00 C ATOM 1067 OG SER A 77 16.641 -11.614 11.547 1.00 0.00 O ATOM 0 H SER A 77 13.608 -11.338 9.180 1.00 0.00 H new ATOM 0 HA SER A 77 15.275 -9.531 10.661 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.626 -11.922 11.275 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.649 -12.479 9.966 1.00 0.00 H new ATOM 0 HG SER A 77 16.753 -12.474 12.003 1.00 0.00 H new ATOM 1073 N ASP A 78 16.248 -10.551 7.720 1.00 0.00 N ATOM 1074 CA ASP A 78 17.280 -10.399 6.695 1.00 0.00 C ATOM 1075 C ASP A 78 17.321 -8.968 6.168 1.00 0.00 C ATOM 1076 O ASP A 78 18.354 -8.504 5.681 1.00 0.00 O ATOM 1077 CB ASP A 78 17.035 -11.366 5.531 1.00 0.00 C ATOM 1078 CG ASP A 78 15.811 -11.002 4.715 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.686 -11.294 5.164 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.964 -10.408 3.627 1.00 0.00 O ATOM 0 H ASP A 78 15.403 -11.024 7.400 1.00 0.00 H new ATOM 0 HA ASP A 78 18.239 -10.632 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.910 -11.375 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.918 -12.377 5.922 1.00 0.00 H new ATOM 1085 N GLY A 79 16.203 -8.266 6.282 1.00 0.00 N ATOM 1086 CA GLY A 79 16.129 -6.912 5.770 1.00 0.00 C ATOM 1087 C GLY A 79 14.983 -6.732 4.801 1.00 0.00 C ATOM 1088 O GLY A 79 14.579 -5.606 4.509 1.00 0.00 O ATOM 0 H GLY A 79 15.347 -8.608 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.013 -6.217 6.601 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.066 -6.661 5.273 1.00 0.00 H new ATOM 1092 N SER A 80 14.467 -7.840 4.290 1.00 0.00 N ATOM 1093 CA SER A 80 13.317 -7.802 3.406 1.00 0.00 C ATOM 1094 C SER A 80 12.055 -7.499 4.206 1.00 0.00 C ATOM 1095 O SER A 80 12.032 -7.667 5.421 1.00 0.00 O ATOM 1096 CB SER A 80 13.170 -9.134 2.664 1.00 0.00 C ATOM 1097 OG SER A 80 12.930 -10.207 3.562 1.00 0.00 O ATOM 0 H SER A 80 14.828 -8.776 4.474 1.00 0.00 H new ATOM 0 HA SER A 80 13.466 -7.012 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.349 -9.065 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.075 -9.334 2.091 1.00 0.00 H new ATOM 0 HG SER A 80 13.588 -10.179 4.288 1.00 0.00 H new ATOM 1103 N VAL A 81 11.016 -7.038 3.536 1.00 0.00 N ATOM 1104 CA VAL A 81 9.762 -6.748 4.211 1.00 0.00 C ATOM 1105 C VAL A 81 8.642 -7.641 3.688 1.00 0.00 C ATOM 1106 O VAL A 81 8.605 -7.988 2.504 1.00 0.00 O ATOM 1107 CB VAL A 81 9.353 -5.264 4.063 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.393 -4.353 4.698 1.00 0.00 C ATOM 1109 CG2 VAL A 81 9.138 -4.897 2.602 1.00 0.00 C ATOM 0 H VAL A 81 11.013 -6.857 2.532 1.00 0.00 H new ATOM 0 HA VAL A 81 9.922 -6.953 5.270 1.00 0.00 H new ATOM 0 HB VAL A 81 8.408 -5.124 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.085 -3.314 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.484 -4.589 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.355 -4.503 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.851 -3.848 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.061 -5.061 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.347 -5.519 2.183 1.00 0.00 H new ATOM 1119 N THR A 82 7.744 -8.019 4.583 1.00 0.00 N ATOM 1120 CA THR A 82 6.594 -8.824 4.224 1.00 0.00 C ATOM 1121 C THR A 82 5.384 -7.923 3.991 1.00 0.00 C ATOM 1122 O THR A 82 4.830 -7.341 4.930 1.00 0.00 O ATOM 1123 CB THR A 82 6.276 -9.862 5.320 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.412 -10.718 5.522 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.065 -10.707 4.945 1.00 0.00 C ATOM 0 H THR A 82 7.793 -7.777 5.573 1.00 0.00 H new ATOM 0 HA THR A 82 6.828 -9.363 3.306 1.00 0.00 H new ATOM 0 HB THR A 82 6.048 -9.324 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.995 -10.331 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.866 -11.429 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.196 -10.061 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.265 -11.236 4.013 1.00 0.00 H new ATOM 1133 N ILE A 83 4.999 -7.784 2.731 1.00 0.00 N ATOM 1134 CA ILE A 83 3.887 -6.923 2.368 1.00 0.00 C ATOM 1135 C ILE A 83 2.661 -7.749 2.009 1.00 0.00 C ATOM 1136 O ILE A 83 2.768 -8.932 1.670 1.00 0.00 O ATOM 1137 CB ILE A 83 4.234 -6.013 1.168 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.562 -6.862 -0.068 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.397 -5.093 1.518 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.764 -6.052 -1.330 1.00 0.00 C ATOM 0 H ILE A 83 5.442 -8.257 1.943 1.00 0.00 H new ATOM 0 HA ILE A 83 3.677 -6.300 3.237 1.00 0.00 H new ATOM 0 HB ILE A 83 3.368 -5.393 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.464 -7.441 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.755 -7.576 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.629 -4.459 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.124 -4.469 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.271 -5.692 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.992 -6.721 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.855 -5.494 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.591 -5.356 -1.187 1.00 0.00 H new ATOM 1152 N SER A 84 1.502 -7.129 2.098 1.00 0.00 N ATOM 1153 CA SER A 84 0.279 -7.747 1.649 1.00 0.00 C ATOM 1154 C SER A 84 -0.562 -6.746 0.870 1.00 0.00 C ATOM 1155 O SER A 84 -0.686 -5.576 1.242 1.00 0.00 O ATOM 1156 CB SER A 84 -0.507 -8.331 2.825 1.00 0.00 C ATOM 1157 OG SER A 84 -0.653 -7.392 3.874 1.00 0.00 O ATOM 0 H SER A 84 1.385 -6.191 2.481 1.00 0.00 H new ATOM 0 HA SER A 84 0.534 -8.572 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.491 -8.650 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.003 -9.218 3.199 1.00 0.00 H new ATOM 0 HG SER A 84 -0.574 -6.484 3.514 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.104 -7.219 -0.228 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.977 -6.432 -1.076 1.00 0.00 C ATOM 1165 C GLU A 85 -3.163 -7.296 -1.463 1.00 0.00 C ATOM 1166 O GLU A 85 -3.204 -8.474 -1.112 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.224 -5.962 -2.321 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.650 -7.106 -3.137 1.00 0.00 C ATOM 1169 CD GLU A 85 0.244 -6.645 -4.267 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.430 -6.360 -4.012 1.00 0.00 O ATOM 1171 OE2 GLU A 85 -0.219 -6.601 -5.421 1.00 0.00 O ATOM 0 H GLU A 85 -0.951 -8.170 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.322 -5.546 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.899 -5.379 -2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.415 -5.297 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.082 -7.764 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.469 -7.696 -3.548 1.00 0.00 H new ATOM 1178 N MET A 86 -4.121 -6.738 -2.176 1.00 0.00 N ATOM 1179 CA MET A 86 -5.280 -7.509 -2.583 1.00 0.00 C ATOM 1180 C MET A 86 -5.793 -7.023 -3.928 1.00 0.00 C ATOM 1181 O MET A 86 -5.925 -5.821 -4.142 1.00 0.00 O ATOM 1182 CB MET A 86 -6.373 -7.428 -1.516 1.00 0.00 C ATOM 1183 CG MET A 86 -7.502 -8.422 -1.733 1.00 0.00 C ATOM 1184 SD MET A 86 -8.319 -8.913 -0.201 1.00 0.00 S ATOM 1185 CE MET A 86 -8.763 -7.326 0.489 1.00 0.00 C ATOM 0 H MET A 86 -4.122 -5.765 -2.483 1.00 0.00 H new ATOM 0 HA MET A 86 -4.988 -8.554 -2.690 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.928 -7.603 -0.536 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.785 -6.419 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.239 -7.984 -2.406 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.106 -9.309 -2.227 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.451 -7.283 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.266 -6.534 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.843 -7.192 0.427 1.00 0.00 H new ATOM 1195 N ASN A 87 -6.027 -7.970 -4.838 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.539 -7.691 -6.189 1.00 0.00 C ATOM 1197 C ASN A 87 -5.474 -7.049 -7.069 1.00 0.00 C ATOM 1198 O ASN A 87 -5.179 -7.553 -8.154 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.786 -6.799 -6.150 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.376 -6.555 -7.529 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -9.251 -7.287 -7.977 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.905 -5.519 -8.211 1.00 0.00 N ATOM 0 H ASN A 87 -5.867 -8.962 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.816 -8.653 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.540 -7.263 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.529 -5.842 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.272 -5.311 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.176 -4.931 -7.807 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.915 -5.932 -6.594 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.914 -5.169 -7.337 1.00 0.00 C ATOM 1211 C TYR A 88 -4.551 -4.544 -8.577 1.00 0.00 C ATOM 1212 O TYR A 88 -4.954 -3.381 -8.560 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.717 -6.065 -7.703 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.634 -5.383 -8.508 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.071 -4.191 -8.081 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.172 -5.940 -9.694 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.080 -3.571 -8.812 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.177 -5.327 -10.431 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.365 -4.142 -9.985 1.00 0.00 C ATOM 1220 OH TYR A 88 1.358 -3.524 -10.713 1.00 0.00 O ATOM 0 H TYR A 88 -5.145 -5.533 -5.684 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.537 -4.362 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.277 -6.452 -6.784 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.083 -6.923 -8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.414 -3.741 -7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.598 -6.868 -10.046 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.346 -2.641 -8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.173 -5.774 -11.350 1.00 0.00 H new ATOM 0 HH TYR A 88 1.557 -4.056 -11.512 1.00 0.00 H new ATOM 1230 N SER A 89 -4.672 -5.335 -9.627 1.00 0.00 N ATOM 1231 CA SER A 89 -5.335 -4.912 -10.847 1.00 0.00 C ATOM 1232 C SER A 89 -5.711 -6.135 -11.671 1.00 0.00 C ATOM 1233 O SER A 89 -5.939 -6.043 -12.880 1.00 0.00 O ATOM 1234 CB SER A 89 -4.425 -3.986 -11.660 1.00 0.00 C ATOM 1235 OG SER A 89 -3.183 -4.609 -11.948 1.00 0.00 O ATOM 0 H SER A 89 -4.313 -6.289 -9.658 1.00 0.00 H new ATOM 0 HA SER A 89 -6.238 -4.361 -10.587 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.921 -3.710 -12.591 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.252 -3.064 -11.106 1.00 0.00 H new ATOM 0 HG SER A 89 -2.729 -4.837 -11.110 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.797 -7.278 -11.001 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.016 -8.527 -11.697 1.00 0.00 C ATOM 1243 C GLY A 90 -7.097 -9.372 -11.059 1.00 0.00 C ATOM 1244 O GLY A 90 -8.281 -9.168 -11.320 1.00 0.00 O ATOM 0 H GLY A 90 -5.719 -7.360 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.288 -8.318 -12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.085 -9.093 -11.720 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.694 -10.308 -10.210 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.642 -11.229 -9.612 1.00 0.00 C ATOM 1250 C GLY A 91 -8.317 -10.650 -8.388 1.00 0.00 C ATOM 1251 O GLY A 91 -7.640 -10.303 -7.417 1.00 0.00 O ATOM 0 H GLY A 91 -5.725 -10.447 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.399 -11.496 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.126 -12.149 -9.338 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.652 -10.541 -8.409 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.423 -9.976 -7.300 1.00 0.00 C ATOM 1257 C PRO A 92 -10.170 -10.701 -5.983 1.00 0.00 C ATOM 1258 O PRO A 92 -10.339 -11.917 -5.888 1.00 0.00 O ATOM 1259 CB PRO A 92 -11.880 -10.156 -7.738 1.00 0.00 C ATOM 1260 CG PRO A 92 -11.822 -10.278 -9.220 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.520 -10.958 -9.524 1.00 0.00 C ATOM 0 HA PRO A 92 -10.149 -8.938 -7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.322 -11.044 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.491 -9.306 -7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.664 -10.858 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.872 -9.298 -9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.632 -12.042 -9.563 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.117 -10.644 -10.487 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.734 -9.934 -4.986 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.510 -10.432 -3.633 1.00 0.00 C ATOM 1271 C PHE A 93 -8.338 -11.397 -3.565 1.00 0.00 C ATOM 1272 O PHE A 93 -8.211 -12.153 -2.603 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.754 -11.102 -3.054 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.917 -10.172 -2.867 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.016 -9.397 -1.726 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.909 -10.073 -3.831 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -13.083 -8.540 -1.547 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.979 -9.217 -3.657 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.065 -8.449 -2.514 1.00 0.00 C ATOM 0 H PHE A 93 -9.525 -8.942 -5.097 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.274 -9.555 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.055 -11.916 -3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.500 -11.547 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -11.250 -9.463 -0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -12.844 -10.672 -4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -13.150 -7.941 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -14.746 -9.149 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.899 -7.777 -2.376 1.00 0.00 H new ATOM 1289 N SER A 94 -7.486 -11.383 -4.575 1.00 0.00 N ATOM 1290 CA SER A 94 -6.236 -12.104 -4.480 1.00 0.00 C ATOM 1291 C SER A 94 -5.328 -11.384 -3.505 1.00 0.00 C ATOM 1292 O SER A 94 -4.700 -10.383 -3.858 1.00 0.00 O ATOM 1293 CB SER A 94 -5.547 -12.224 -5.841 1.00 0.00 C ATOM 1294 OG SER A 94 -6.300 -13.038 -6.726 1.00 0.00 O ATOM 0 H SER A 94 -7.635 -10.889 -5.455 1.00 0.00 H new ATOM 0 HA SER A 94 -6.445 -13.114 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.418 -11.233 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.551 -12.647 -5.712 1.00 0.00 H new ATOM 0 HG SER A 94 -5.839 -13.097 -7.589 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.327 -11.839 -2.262 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.414 -11.306 -1.271 1.00 0.00 C ATOM 1302 C VAL A 95 -2.986 -11.680 -1.662 1.00 0.00 C ATOM 1303 O VAL A 95 -2.471 -12.727 -1.269 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.722 -11.822 0.151 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -3.802 -11.167 1.175 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -6.182 -11.574 0.507 1.00 0.00 C ATOM 0 H VAL A 95 -5.947 -12.573 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.535 -10.223 -1.249 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.542 -12.897 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.037 -11.545 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.765 -11.400 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.946 -10.087 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.379 -11.945 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.390 -10.505 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.823 -12.095 -0.204 1.00 0.00 H new ATOM 1316 N SER A 96 -2.372 -10.836 -2.476 1.00 0.00 N ATOM 1317 CA SER A 96 -1.080 -11.137 -3.060 1.00 0.00 C ATOM 1318 C SER A 96 0.027 -10.941 -2.036 1.00 0.00 C ATOM 1319 O SER A 96 0.293 -9.826 -1.582 1.00 0.00 O ATOM 1320 CB SER A 96 -0.842 -10.266 -4.296 1.00 0.00 C ATOM 1321 OG SER A 96 0.329 -10.662 -4.996 1.00 0.00 O ATOM 0 H SER A 96 -2.754 -9.930 -2.747 1.00 0.00 H new ATOM 0 HA SER A 96 -1.071 -12.182 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.704 -10.332 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.751 -9.222 -3.995 1.00 0.00 H new ATOM 0 HG SER A 96 0.366 -10.199 -5.859 1.00 0.00 H new ATOM 1327 N SER A 97 0.647 -12.043 -1.661 1.00 0.00 N ATOM 1328 CA SER A 97 1.745 -12.026 -0.711 1.00 0.00 C ATOM 1329 C SER A 97 3.087 -11.940 -1.438 1.00 0.00 C ATOM 1330 O SER A 97 3.395 -12.776 -2.291 1.00 0.00 O ATOM 1331 CB SER A 97 1.678 -13.280 0.161 1.00 0.00 C ATOM 1332 OG SER A 97 1.312 -14.415 -0.613 1.00 0.00 O ATOM 0 H SER A 97 0.406 -12.973 -2.004 1.00 0.00 H new ATOM 0 HA SER A 97 1.657 -11.145 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.646 -13.453 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.954 -13.132 0.963 1.00 0.00 H new ATOM 0 HG SER A 97 1.277 -15.207 -0.036 1.00 0.00 H new ATOM 1338 N ARG A 98 3.875 -10.919 -1.114 1.00 0.00 N ATOM 1339 CA ARG A 98 5.180 -10.735 -1.741 1.00 0.00 C ATOM 1340 C ARG A 98 6.233 -10.420 -0.688 1.00 0.00 C ATOM 1341 O ARG A 98 5.915 -9.903 0.385 1.00 0.00 O ATOM 1342 CB ARG A 98 5.160 -9.589 -2.758 1.00 0.00 C ATOM 1343 CG ARG A 98 3.950 -9.574 -3.673 1.00 0.00 C ATOM 1344 CD ARG A 98 4.101 -8.520 -4.758 1.00 0.00 C ATOM 1345 NE ARG A 98 2.823 -8.178 -5.373 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.463 -8.522 -6.610 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.266 -9.273 -7.358 1.00 0.00 N ATOM 1348 NH2 ARG A 98 1.293 -8.112 -7.089 1.00 0.00 N ATOM 0 H ARG A 98 3.634 -10.208 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 98 5.422 -11.665 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.203 -8.642 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.060 -9.648 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.823 -10.556 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.051 -9.375 -3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.549 -7.623 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.785 -8.884 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 98 2.159 -7.638 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.162 -9.589 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.986 -9.533 -8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.678 -7.539 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.010 -8.371 -8.034 1.00 0.00 H new ATOM 1362 N THR A 99 7.481 -10.723 -1.007 1.00 0.00 N ATOM 1363 CA THR A 99 8.596 -10.368 -0.147 1.00 0.00 C ATOM 1364 C THR A 99 9.472 -9.333 -0.841 1.00 0.00 C ATOM 1365 O THR A 99 10.031 -9.597 -1.906 1.00 0.00 O ATOM 1366 CB THR A 99 9.450 -11.600 0.207 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.619 -12.630 0.764 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.543 -11.232 1.198 1.00 0.00 C ATOM 0 H THR A 99 7.747 -11.216 -1.859 1.00 0.00 H new ATOM 0 HA THR A 99 8.188 -9.956 0.776 1.00 0.00 H new ATOM 0 HB THR A 99 9.918 -11.966 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.169 -13.410 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.134 -12.117 1.434 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.189 -10.471 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.091 -10.844 2.111 1.00 0.00 H new ATOM 1376 N ILE A 100 9.575 -8.152 -0.254 1.00 0.00 N ATOM 1377 CA ILE A 100 10.382 -7.090 -0.834 1.00 0.00 C ATOM 1378 C ILE A 100 11.759 -7.084 -0.198 1.00 0.00 C ATOM 1379 O ILE A 100 11.895 -6.738 0.972 1.00 0.00 O ATOM 1380 CB ILE A 100 9.742 -5.699 -0.634 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.337 -5.651 -1.230 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.613 -4.609 -1.246 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.288 -5.975 -2.710 1.00 0.00 C ATOM 0 H ILE A 100 9.112 -7.905 0.621 1.00 0.00 H new ATOM 0 HA ILE A 100 10.451 -7.287 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 100 9.665 -5.520 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.700 -6.354 -0.693 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.919 -4.657 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.142 -3.638 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.593 -4.616 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.728 -4.792 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.257 -5.920 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.897 -5.257 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.675 -6.981 -2.875 1.00 0.00 H new ATOM 1395 N SER A 101 12.771 -7.475 -0.955 1.00 0.00 N ATOM 1396 CA SER A 101 14.137 -7.448 -0.459 1.00 0.00 C ATOM 1397 C SER A 101 14.555 -6.007 -0.196 1.00 0.00 C ATOM 1398 O SER A 101 14.029 -5.087 -0.826 1.00 0.00 O ATOM 1399 CB SER A 101 15.082 -8.099 -1.480 1.00 0.00 C ATOM 1400 OG SER A 101 16.434 -8.043 -1.052 1.00 0.00 O ATOM 0 H SER A 101 12.673 -7.814 -1.912 1.00 0.00 H new ATOM 0 HA SER A 101 14.193 -8.011 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.792 -9.138 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.983 -7.595 -2.441 1.00 0.00 H new ATOM 0 HG SER A 101 16.952 -7.494 -1.677 1.00 0.00 H new ATOM 1406 N ALA A 102 15.484 -5.807 0.738 1.00 0.00 N ATOM 1407 CA ALA A 102 16.025 -4.478 1.013 1.00 0.00 C ATOM 1408 C ALA A 102 16.488 -3.803 -0.276 1.00 0.00 C ATOM 1409 O ALA A 102 16.443 -2.574 -0.402 1.00 0.00 O ATOM 1410 CB ALA A 102 17.172 -4.570 2.005 1.00 0.00 C ATOM 0 H ALA A 102 15.877 -6.549 1.317 1.00 0.00 H new ATOM 0 HA ALA A 102 15.233 -3.870 1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.565 -3.572 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.813 -5.007 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.962 -5.196 1.591 1.00 0.00 H new ATOM 1416 N SER A 103 16.909 -4.628 -1.231 1.00 0.00 N ATOM 1417 CA SER A 103 17.333 -4.161 -2.540 1.00 0.00 C ATOM 1418 C SER A 103 16.228 -3.333 -3.204 1.00 0.00 C ATOM 1419 O SER A 103 16.460 -2.203 -3.640 1.00 0.00 O ATOM 1420 CB SER A 103 17.683 -5.366 -3.414 1.00 0.00 C ATOM 1421 OG SER A 103 18.271 -6.403 -2.636 1.00 0.00 O ATOM 0 H SER A 103 16.964 -5.640 -1.115 1.00 0.00 H new ATOM 0 HA SER A 103 18.210 -3.525 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.783 -5.739 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.372 -5.061 -4.202 1.00 0.00 H new ATOM 0 HG SER A 103 18.485 -7.164 -3.214 1.00 0.00 H new ATOM 1427 N GLU A 104 15.020 -3.889 -3.258 1.00 0.00 N ATOM 1428 CA GLU A 104 13.884 -3.193 -3.855 1.00 0.00 C ATOM 1429 C GLU A 104 13.258 -2.236 -2.855 1.00 0.00 C ATOM 1430 O GLU A 104 12.640 -1.242 -3.237 1.00 0.00 O ATOM 1431 CB GLU A 104 12.809 -4.172 -4.337 1.00 0.00 C ATOM 1432 CG GLU A 104 13.288 -5.204 -5.342 1.00 0.00 C ATOM 1433 CD GLU A 104 13.974 -6.378 -4.680 1.00 0.00 C ATOM 1434 OE1 GLU A 104 13.282 -7.167 -3.999 1.00 0.00 O ATOM 1435 OE2 GLU A 104 15.205 -6.504 -4.823 1.00 0.00 O ATOM 0 H GLU A 104 14.803 -4.818 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 104 14.267 -2.639 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.398 -4.692 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.994 -3.603 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.438 -5.563 -5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.977 -4.732 -6.043 1.00 0.00 H new ATOM 1442 N ALA A 105 13.413 -2.549 -1.576 1.00 0.00 N ATOM 1443 CA ALA A 105 12.840 -1.739 -0.508 1.00 0.00 C ATOM 1444 C ALA A 105 13.363 -0.310 -0.555 1.00 0.00 C ATOM 1445 O ALA A 105 12.644 0.633 -0.240 1.00 0.00 O ATOM 1446 CB ALA A 105 13.132 -2.366 0.846 1.00 0.00 C ATOM 0 H ALA A 105 13.934 -3.363 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 105 11.761 -1.705 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.698 -1.750 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.698 -3.365 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.210 -2.433 0.991 1.00 0.00 H new ATOM 1452 N GLY A 106 14.618 -0.158 -0.959 1.00 0.00 N ATOM 1453 CA GLY A 106 15.193 1.167 -1.104 1.00 0.00 C ATOM 1454 C GLY A 106 14.660 1.903 -2.323 1.00 0.00 C ATOM 1455 O GLY A 106 14.821 3.117 -2.441 1.00 0.00 O ATOM 0 H GLY A 106 15.248 -0.927 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.980 1.752 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.277 1.083 -1.180 1.00 0.00 H new ATOM 1459 N ASN A 107 14.012 1.170 -3.220 1.00 0.00 N ATOM 1460 CA ASN A 107 13.493 1.739 -4.461 1.00 0.00 C ATOM 1461 C ASN A 107 12.046 2.195 -4.297 1.00 0.00 C ATOM 1462 O ASN A 107 11.661 3.259 -4.783 1.00 0.00 O ATOM 1463 CB ASN A 107 13.585 0.704 -5.591 1.00 0.00 C ATOM 1464 CG ASN A 107 12.876 1.144 -6.863 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.456 1.826 -7.709 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.618 0.744 -7.014 1.00 0.00 N ATOM 0 H ASN A 107 13.832 0.172 -3.111 1.00 0.00 H new ATOM 0 HA ASN A 107 14.099 2.609 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.634 0.512 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.155 -0.237 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.098 1.001 -7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.172 0.180 -6.291 1.00 0.00 H new ATOM 1473 N TYR A 108 11.251 1.381 -3.615 1.00 0.00 N ATOM 1474 CA TYR A 108 9.824 1.649 -3.475 1.00 0.00 C ATOM 1475 C TYR A 108 9.562 2.725 -2.427 1.00 0.00 C ATOM 1476 O TYR A 108 10.173 2.728 -1.360 1.00 0.00 O ATOM 1477 CB TYR A 108 9.071 0.376 -3.092 1.00 0.00 C ATOM 1478 CG TYR A 108 9.181 -0.744 -4.103 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.752 -0.576 -5.411 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.696 -1.977 -3.738 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.833 -1.605 -6.327 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.784 -3.010 -4.649 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.349 -2.820 -5.943 1.00 0.00 C ATOM 1484 OH TYR A 108 9.430 -3.846 -6.860 1.00 0.00 O ATOM 0 H TYR A 108 11.569 0.530 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 108 9.465 2.006 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.447 0.021 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.018 0.620 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.347 0.377 -5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.034 -2.132 -2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 108 8.493 -1.456 -7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.192 -3.964 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 108 9.818 -4.637 -6.432 1.00 0.00 H new ATOM 1494 N ASN A 109 8.643 3.629 -2.741 1.00 0.00 N ATOM 1495 CA ASN A 109 8.258 4.690 -1.815 1.00 0.00 C ATOM 1496 C ASN A 109 7.221 4.177 -0.825 1.00 0.00 C ATOM 1497 O ASN A 109 6.481 3.240 -1.115 1.00 0.00 O ATOM 1498 CB ASN A 109 7.713 5.917 -2.585 1.00 0.00 C ATOM 1499 CG ASN A 109 6.437 6.498 -1.987 1.00 0.00 C ATOM 1500 OD1 ASN A 109 5.329 6.165 -2.397 1.00 0.00 O ATOM 1501 ND2 ASN A 109 6.587 7.369 -1.007 1.00 0.00 N ATOM 0 H ASN A 109 8.148 3.650 -3.633 1.00 0.00 H new ATOM 0 HA ASN A 109 9.143 5.002 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.480 6.692 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.521 5.630 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.768 7.787 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.522 7.624 -0.690 1.00 0.00 H new ATOM 1508 N TYR A 110 7.195 4.774 0.353 1.00 0.00 N ATOM 1509 CA TYR A 110 6.140 4.512 1.308 1.00 0.00 C ATOM 1510 C TYR A 110 5.782 5.817 1.996 1.00 0.00 C ATOM 1511 O TYR A 110 6.622 6.715 2.114 1.00 0.00 O ATOM 1512 CB TYR A 110 6.556 3.445 2.327 1.00 0.00 C ATOM 1513 CG TYR A 110 7.162 3.990 3.598 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.487 4.380 3.650 1.00 0.00 C ATOM 1515 CD2 TYR A 110 6.398 4.106 4.747 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.037 4.874 4.815 1.00 0.00 C ATOM 1517 CE2 TYR A 110 6.938 4.598 5.916 1.00 0.00 C ATOM 1518 CZ TYR A 110 8.259 4.982 5.946 1.00 0.00 C ATOM 1519 OH TYR A 110 8.800 5.475 7.110 1.00 0.00 O ATOM 0 H TYR A 110 7.895 5.445 0.669 1.00 0.00 H new ATOM 0 HA TYR A 110 5.268 4.119 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.682 2.847 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.274 2.773 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.101 4.297 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.361 3.806 4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.074 5.175 4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 110 6.328 4.682 6.803 1.00 0.00 H new ATOM 0 HH TYR A 110 8.115 5.485 7.811 1.00 0.00 H new ATOM 1529 N ILE A 111 4.556 5.931 2.454 1.00 0.00 N ATOM 1530 CA ILE A 111 4.081 7.190 2.985 1.00 0.00 C ATOM 1531 C ILE A 111 3.635 7.028 4.428 1.00 0.00 C ATOM 1532 O ILE A 111 2.889 6.108 4.758 1.00 0.00 O ATOM 1533 CB ILE A 111 2.930 7.763 2.123 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.732 6.809 2.094 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.426 8.034 0.707 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.564 7.323 1.277 1.00 0.00 C ATOM 0 H ILE A 111 3.873 5.173 2.470 1.00 0.00 H new ATOM 0 HA ILE A 111 4.909 7.899 2.955 1.00 0.00 H new ATOM 0 HB ILE A 111 2.600 8.700 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.053 5.849 1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.398 6.628 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.610 8.437 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.243 8.755 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.780 7.104 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.246 6.595 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.216 8.268 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.881 7.477 0.246 1.00 0.00 H new ATOM 1548 N HIS A 112 4.129 7.895 5.298 1.00 0.00 N ATOM 1549 CA HIS A 112 3.733 7.864 6.700 1.00 0.00 C ATOM 1550 C HIS A 112 3.403 9.270 7.174 1.00 0.00 C ATOM 1551 O HIS A 112 4.123 10.208 6.859 1.00 0.00 O ATOM 1552 CB HIS A 112 4.835 7.241 7.574 1.00 0.00 C ATOM 1553 CG HIS A 112 6.119 8.017 7.607 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.481 8.822 8.665 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.130 8.106 6.707 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.650 9.372 8.418 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.066 8.956 7.238 1.00 0.00 N ATOM 0 H HIS A 112 4.801 8.625 5.062 1.00 0.00 H new ATOM 0 HA HIS A 112 2.844 7.240 6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.460 7.141 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 112 5.043 6.235 7.211 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.928 8.969 9.509 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.187 7.603 5.753 1.00 0.00 H new ATOM 0 HE1 HIS A 112 8.180 10.050 9.071 1.00 0.00 H new ATOM 1566 N ILE A 113 2.310 9.414 7.902 1.00 0.00 N ATOM 1567 CA ILE A 113 1.882 10.707 8.385 1.00 0.00 C ATOM 1568 C ILE A 113 2.850 11.251 9.436 1.00 0.00 C ATOM 1569 O ILE A 113 2.760 10.837 10.612 1.00 0.00 O ATOM 1570 CB ILE A 113 0.454 10.624 8.957 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.283 9.369 9.820 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.566 10.644 7.830 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.088 9.247 10.447 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.713 12.075 9.073 1.00 0.00 O ATOM 0 H ILE A 113 1.701 8.642 8.171 1.00 0.00 H new ATOM 0 HA ILE A 113 1.879 11.397 7.541 1.00 0.00 H new ATOM 0 HB ILE A 113 0.287 11.494 9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.472 8.488 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.035 9.376 10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.571 10.585 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.463 11.569 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.396 9.793 7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.136 8.336 11.043 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.273 10.109 11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.844 9.208 9.663 1.00 0.00 H new