USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 106 THR OG1 : rot 180:sc= -0.0761 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -119:sc= 0.335 (180deg=0) USER MOD Set 2.1: A 40 TYR OH : rot 134:sc= 1.4 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.246 K(o=1.2,f=-1.1!) USER MOD Set 3.1: A 55 SER OG : rot -50:sc= -0.593 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -0.528 X(o=-1.1,f=-1.5) USER MOD Set 4.1: A 35 HIS : no HE2:sc= -3.9! K(o=-4.7!,f=-3.9) USER MOD Set 4.2: A 39 THR OG1 : rot -130:sc= -0.831 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.896 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.77! C(o=-1.8!,f=-3.5!) USER MOD Single : A 23 MET CE :methyl -178:sc= -4.25! (180deg=-4.46!) USER MOD Single : A 26 GLN : amide:sc= -0.0562 K(o=-0.056,f=-1.7!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -111:sc= 0.647 USER MOD Single : A 30 ASN : amide:sc= -1.91! X(o=-1.9!,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00387 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= -0.932 (180deg=-1.06) USER MOD Single : A 59 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0.49 (180deg=-3.18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0225 (180deg=-0.217) USER MOD Single : A 72 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.2) USER MOD Single : A 75 HIS : no HD1:sc= -0.7 X(o=-0.7,f=-0.2) USER MOD Single : A 77 THR OG1 : rot -55:sc= 0.494 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= 0.189 (180deg=-1.15) USER MOD Single : A 84 SER OG : rot 25:sc= 1.25 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.32! C(o=-5.3!,f=-16!) USER MOD Single : A 96 SER OG : rot -152:sc= 1.26 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -132:sc= -0.126 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 2.263 -11.057 -8.791 1.00 0.00 N ATOM 117 CA ILE A 11 2.484 -9.739 -9.374 1.00 0.00 C ATOM 118 C ILE A 11 3.755 -9.100 -8.823 1.00 0.00 C ATOM 119 O ILE A 11 3.995 -9.112 -7.616 1.00 0.00 O ATOM 120 CB ILE A 11 1.294 -8.799 -9.109 1.00 0.00 C ATOM 121 CG1 ILE A 11 0.017 -9.369 -9.729 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.582 -7.410 -9.659 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.252 -8.787 -9.143 1.00 0.00 C ATOM 0 HA ILE A 11 2.589 -9.884 -10.449 1.00 0.00 H new ATOM 0 HB ILE A 11 1.148 -8.718 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.030 -9.183 -10.803 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.008 -10.450 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.731 -6.758 -9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.470 -7.004 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.752 -7.472 -10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.117 -9.237 -9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.288 -8.996 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.266 -7.709 -9.303 1.00 0.00 H new ATOM 135 N ASP A 12 4.565 -8.544 -9.717 1.00 0.00 N ATOM 136 CA ASP A 12 5.811 -7.897 -9.321 1.00 0.00 C ATOM 137 C ASP A 12 5.560 -6.456 -8.884 1.00 0.00 C ATOM 138 O ASP A 12 5.629 -5.531 -9.693 1.00 0.00 O ATOM 139 CB ASP A 12 6.815 -7.926 -10.474 1.00 0.00 C ATOM 140 CG ASP A 12 8.209 -7.522 -10.039 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.551 -7.750 -8.859 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.958 -6.977 -10.876 1.00 0.00 O ATOM 0 H ASP A 12 4.382 -8.528 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 12 6.225 -8.447 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.847 -8.929 -10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.476 -7.256 -11.264 1.00 0.00 H new ATOM 147 N TYR A 13 5.269 -6.275 -7.601 1.00 0.00 N ATOM 148 CA TYR A 13 5.004 -4.948 -7.058 1.00 0.00 C ATOM 149 C TYR A 13 6.286 -4.124 -6.984 1.00 0.00 C ATOM 150 O TYR A 13 6.255 -2.896 -7.056 1.00 0.00 O ATOM 151 CB TYR A 13 4.375 -5.060 -5.668 1.00 0.00 C ATOM 152 CG TYR A 13 3.243 -6.058 -5.593 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.182 -6.004 -6.489 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.234 -7.056 -4.627 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.145 -6.914 -6.425 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.202 -7.972 -4.556 1.00 0.00 C ATOM 157 CZ TYR A 13 1.160 -7.896 -5.457 1.00 0.00 C ATOM 158 OH TYR A 13 0.129 -8.806 -5.388 1.00 0.00 O ATOM 0 H TYR A 13 5.211 -7.030 -6.918 1.00 0.00 H new ATOM 0 HA TYR A 13 4.307 -4.442 -7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.146 -5.344 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.005 -4.080 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.168 -5.237 -7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.048 -7.117 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.328 -6.857 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.211 -8.743 -3.800 1.00 0.00 H new ATOM 0 HH TYR A 13 0.293 -9.431 -4.651 1.00 0.00 H new ATOM 168 N THR A 14 7.416 -4.811 -6.841 1.00 0.00 N ATOM 169 CA THR A 14 8.710 -4.145 -6.758 1.00 0.00 C ATOM 170 C THR A 14 9.091 -3.515 -8.092 1.00 0.00 C ATOM 171 O THR A 14 10.130 -2.865 -8.208 1.00 0.00 O ATOM 172 CB THR A 14 9.818 -5.124 -6.330 1.00 0.00 C ATOM 173 OG1 THR A 14 10.012 -6.117 -7.343 1.00 0.00 O ATOM 174 CG2 THR A 14 9.466 -5.799 -5.012 1.00 0.00 C ATOM 0 H THR A 14 7.461 -5.828 -6.780 1.00 0.00 H new ATOM 0 HA THR A 14 8.615 -3.363 -6.005 1.00 0.00 H new ATOM 0 HB THR A 14 10.740 -4.558 -6.195 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.147 -6.506 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.264 -6.486 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.348 -5.043 -4.236 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.534 -6.352 -5.124 1.00 0.00 H new ATOM 182 N ALA A 15 8.243 -3.710 -9.097 1.00 0.00 N ATOM 183 CA ALA A 15 8.490 -3.157 -10.423 1.00 0.00 C ATOM 184 C ALA A 15 7.918 -1.749 -10.547 1.00 0.00 C ATOM 185 O ALA A 15 8.397 -0.942 -11.343 1.00 0.00 O ATOM 186 CB ALA A 15 7.900 -4.065 -11.492 1.00 0.00 C ATOM 0 H ALA A 15 7.379 -4.247 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 15 9.569 -3.096 -10.568 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.092 -3.640 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.360 -5.051 -11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.825 -4.156 -11.339 1.00 0.00 H new ATOM 192 N TYR A 16 6.890 -1.462 -9.757 1.00 0.00 N ATOM 193 CA TYR A 16 6.250 -0.152 -9.781 1.00 0.00 C ATOM 194 C TYR A 16 7.039 0.855 -8.948 1.00 0.00 C ATOM 195 O TYR A 16 7.660 0.515 -7.941 1.00 0.00 O ATOM 196 CB TYR A 16 4.817 -0.252 -9.255 1.00 0.00 C ATOM 197 CG TYR A 16 3.876 -0.970 -10.197 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.389 -0.341 -11.337 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.473 -2.275 -9.946 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.530 -0.992 -12.199 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.613 -2.935 -10.804 1.00 0.00 C ATOM 202 CZ TYR A 16 2.145 -2.289 -11.930 1.00 0.00 C ATOM 203 OH TYR A 16 1.288 -2.942 -12.785 1.00 0.00 O ATOM 0 H TYR A 16 6.482 -2.119 -9.092 1.00 0.00 H new ATOM 0 HA TYR A 16 6.228 0.195 -10.814 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.826 -0.772 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.436 0.752 -9.069 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.688 0.674 -11.552 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.838 -2.783 -9.065 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.161 -0.488 -13.080 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.309 -3.950 -10.594 1.00 0.00 H new ATOM 0 HH TYR A 16 1.119 -3.847 -12.450 1.00 0.00 H new ATOM 213 N PRO A 17 7.013 2.125 -9.379 1.00 0.00 N ATOM 214 CA PRO A 17 7.719 3.209 -8.689 1.00 0.00 C ATOM 215 C PRO A 17 7.086 3.550 -7.344 1.00 0.00 C ATOM 216 O PRO A 17 7.774 3.965 -6.412 1.00 0.00 O ATOM 217 CB PRO A 17 7.588 4.388 -9.656 1.00 0.00 C ATOM 218 CG PRO A 17 6.359 4.098 -10.445 1.00 0.00 C ATOM 219 CD PRO A 17 6.293 2.601 -10.573 1.00 0.00 C ATOM 0 HA PRO A 17 8.750 2.942 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.500 5.332 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.463 4.469 -10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.473 4.486 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.404 4.572 -11.426 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.263 2.244 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.766 2.255 -11.492 1.00 0.00 H new ATOM 227 N TRP A 18 5.774 3.369 -7.251 1.00 0.00 N ATOM 228 CA TRP A 18 5.050 3.657 -6.019 1.00 0.00 C ATOM 229 C TRP A 18 5.313 2.584 -4.969 1.00 0.00 C ATOM 230 O TRP A 18 4.729 2.606 -3.886 1.00 0.00 O ATOM 231 CB TRP A 18 3.548 3.758 -6.298 1.00 0.00 C ATOM 232 CG TRP A 18 3.031 2.656 -7.171 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.609 2.764 -8.465 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.880 1.278 -6.812 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.204 1.537 -8.932 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.361 0.609 -7.937 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.133 0.545 -5.650 1.00 0.00 C ATOM 238 CZ2 TRP A 18 2.091 -0.757 -7.932 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.864 -0.811 -5.646 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.349 -1.450 -6.782 1.00 0.00 C ATOM 0 H TRP A 18 5.190 3.024 -8.013 1.00 0.00 H new ATOM 0 HA TRP A 18 5.406 4.612 -5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.008 3.745 -5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.337 4.717 -6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.596 3.680 -9.038 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.845 1.348 -9.868 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.532 1.029 -4.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.692 -1.251 -8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.054 -1.387 -4.753 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.152 -2.511 -6.748 1.00 0.00 H new ATOM 251 N PHE A 19 6.195 1.646 -5.296 1.00 0.00 N ATOM 252 CA PHE A 19 6.535 0.564 -4.381 1.00 0.00 C ATOM 253 C PHE A 19 7.789 0.901 -3.581 1.00 0.00 C ATOM 254 O PHE A 19 8.812 1.290 -4.144 1.00 0.00 O ATOM 255 CB PHE A 19 6.745 -0.740 -5.154 1.00 0.00 C ATOM 256 CG PHE A 19 7.576 -1.749 -4.414 1.00 0.00 C ATOM 257 CD1 PHE A 19 8.959 -1.668 -4.422 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.974 -2.779 -3.709 1.00 0.00 C ATOM 259 CE1 PHE A 19 9.726 -2.595 -3.742 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.735 -3.708 -3.026 1.00 0.00 C ATOM 261 CZ PHE A 19 9.113 -3.616 -3.044 1.00 0.00 C ATOM 0 H PHE A 19 6.687 1.614 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 19 5.705 0.437 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.773 -1.178 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.224 -0.515 -6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.444 -0.871 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.897 -2.856 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.803 -2.521 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.253 -4.505 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.710 -4.342 -2.513 1.00 0.00 H new ATOM 271 N ALA A 20 7.702 0.751 -2.263 1.00 0.00 N ATOM 272 CA ALA A 20 8.829 1.039 -1.385 1.00 0.00 C ATOM 273 C ALA A 20 9.558 -0.240 -0.990 1.00 0.00 C ATOM 274 O ALA A 20 10.769 -0.359 -1.174 1.00 0.00 O ATOM 275 CB ALA A 20 8.355 1.783 -0.144 1.00 0.00 C ATOM 0 H ALA A 20 6.862 0.432 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 20 9.529 1.672 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.207 1.992 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.885 2.721 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.633 1.169 0.394 1.00 0.00 H new ATOM 281 N GLY A 21 8.813 -1.197 -0.446 1.00 0.00 N ATOM 282 CA GLY A 21 9.406 -2.456 -0.033 1.00 0.00 C ATOM 283 C GLY A 21 10.212 -2.326 1.245 1.00 0.00 C ATOM 284 O GLY A 21 11.227 -1.632 1.277 1.00 0.00 O ATOM 0 H GLY A 21 7.809 -1.123 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.618 -3.195 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.050 -2.829 -0.829 1.00 0.00 H new ATOM 288 N ASN A 22 9.757 -2.993 2.300 1.00 0.00 N ATOM 289 CA ASN A 22 10.442 -2.946 3.586 1.00 0.00 C ATOM 290 C ASN A 22 10.954 -1.540 3.880 1.00 0.00 C ATOM 291 O ASN A 22 12.111 -1.354 4.253 1.00 0.00 O ATOM 292 CB ASN A 22 11.607 -3.939 3.604 1.00 0.00 C ATOM 293 CG ASN A 22 12.453 -3.815 4.856 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.010 -3.270 5.867 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.678 -4.323 4.795 1.00 0.00 N ATOM 0 H ASN A 22 8.917 -3.572 2.290 1.00 0.00 H new ATOM 0 HA ASN A 22 9.726 -3.221 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.217 -4.954 3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.234 -3.775 2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.293 -4.270 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.004 -4.766 3.936 1.00 0.00 H new ATOM 302 N MET A 23 10.082 -0.551 3.710 1.00 0.00 N ATOM 303 CA MET A 23 10.444 0.838 3.958 1.00 0.00 C ATOM 304 C MET A 23 10.377 1.161 5.447 1.00 0.00 C ATOM 305 O MET A 23 9.757 0.431 6.220 1.00 0.00 O ATOM 306 CB MET A 23 9.520 1.777 3.179 1.00 0.00 C ATOM 307 CG MET A 23 9.310 3.122 3.855 1.00 0.00 C ATOM 308 SD MET A 23 8.094 4.145 3.002 1.00 0.00 S ATOM 309 CE MET A 23 9.165 5.207 2.034 1.00 0.00 C ATOM 0 H MET A 23 9.119 -0.687 3.401 1.00 0.00 H new ATOM 0 HA MET A 23 11.469 0.985 3.618 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.936 1.940 2.185 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.553 1.292 3.044 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.986 2.961 4.883 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.260 3.654 3.899 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.561 5.922 1.477 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.842 5.744 2.698 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.745 4.601 1.337 1.00 0.00 H new ATOM 319 N GLU A 24 11.016 2.257 5.842 1.00 0.00 N ATOM 320 CA GLU A 24 11.029 2.673 7.239 1.00 0.00 C ATOM 321 C GLU A 24 9.874 3.626 7.533 1.00 0.00 C ATOM 322 O GLU A 24 9.718 4.653 6.872 1.00 0.00 O ATOM 323 CB GLU A 24 12.359 3.346 7.582 1.00 0.00 C ATOM 324 CG GLU A 24 13.567 2.450 7.368 1.00 0.00 C ATOM 325 CD GLU A 24 14.805 2.959 8.080 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.708 3.278 9.284 1.00 0.00 O ATOM 327 OE2 GLU A 24 15.871 3.041 7.435 1.00 0.00 O ATOM 0 H GLU A 24 11.532 2.873 5.214 1.00 0.00 H new ATOM 0 HA GLU A 24 10.911 1.783 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.470 4.243 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.336 3.668 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.336 1.445 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.773 2.373 6.300 1.00 0.00 H new ATOM 334 N ARG A 25 9.064 3.276 8.528 1.00 0.00 N ATOM 335 CA ARG A 25 7.923 4.099 8.909 1.00 0.00 C ATOM 336 C ARG A 25 8.327 5.565 9.040 1.00 0.00 C ATOM 337 O ARG A 25 7.788 6.430 8.351 1.00 0.00 O ATOM 338 CB ARG A 25 7.327 3.603 10.228 1.00 0.00 C ATOM 339 CG ARG A 25 5.965 4.199 10.544 1.00 0.00 C ATOM 340 CD ARG A 25 5.556 3.921 11.982 1.00 0.00 C ATOM 341 NE ARG A 25 4.357 4.664 12.362 1.00 0.00 N ATOM 342 CZ ARG A 25 4.018 4.917 13.621 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.784 4.491 14.615 1.00 0.00 N ATOM 344 NH2 ARG A 25 2.911 5.599 13.887 1.00 0.00 N ATOM 0 H ARG A 25 9.177 2.428 9.084 1.00 0.00 H new ATOM 0 HA ARG A 25 7.171 4.017 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.239 2.517 10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.015 3.840 11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.989 5.275 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.219 3.785 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.376 2.853 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.375 4.188 12.650 1.00 0.00 H new ATOM 0 HE ARG A 25 3.747 5.007 11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.636 3.968 14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.522 4.687 15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.320 5.929 13.124 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.651 5.793 14.854 1.00 0.00 H new ATOM 358 N GLN A 26 9.279 5.832 9.927 1.00 0.00 N ATOM 359 CA GLN A 26 9.754 7.194 10.149 1.00 0.00 C ATOM 360 C GLN A 26 10.042 7.892 8.824 1.00 0.00 C ATOM 361 O GLN A 26 9.533 8.983 8.564 1.00 0.00 O ATOM 362 CB GLN A 26 11.014 7.182 11.017 1.00 0.00 C ATOM 363 CG GLN A 26 11.238 8.476 11.781 1.00 0.00 C ATOM 364 CD GLN A 26 10.430 8.546 13.062 1.00 0.00 C ATOM 365 OE1 GLN A 26 9.771 7.579 13.447 1.00 0.00 O ATOM 366 NE2 GLN A 26 10.477 9.692 13.731 1.00 0.00 N ATOM 0 H GLN A 26 9.737 5.126 10.503 1.00 0.00 H new ATOM 0 HA GLN A 26 8.970 7.746 10.667 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.948 6.357 11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.880 6.989 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.297 8.574 12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.975 9.320 11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.036 10.468 13.375 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.954 9.797 14.600 1.00 0.00 H new ATOM 375 N GLN A 27 10.859 7.256 7.992 1.00 0.00 N ATOM 376 CA GLN A 27 11.216 7.819 6.694 1.00 0.00 C ATOM 377 C GLN A 27 9.968 8.116 5.869 1.00 0.00 C ATOM 378 O GLN A 27 9.931 9.081 5.104 1.00 0.00 O ATOM 379 CB GLN A 27 12.128 6.856 5.930 1.00 0.00 C ATOM 380 CG GLN A 27 13.097 7.555 4.990 1.00 0.00 C ATOM 381 CD GLN A 27 13.875 6.581 4.126 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.055 6.326 4.368 1.00 0.00 O ATOM 383 NE2 GLN A 27 13.216 6.032 3.112 1.00 0.00 N ATOM 0 H GLN A 27 11.286 6.352 8.192 1.00 0.00 H new ATOM 0 HA GLN A 27 11.749 8.754 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.695 6.260 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.512 6.164 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.544 8.242 4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.795 8.155 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.238 6.273 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.688 5.370 2.496 1.00 0.00 H new ATOM 392 N THR A 28 8.946 7.281 6.029 1.00 0.00 N ATOM 393 CA THR A 28 7.697 7.454 5.297 1.00 0.00 C ATOM 394 C THR A 28 6.997 8.747 5.703 1.00 0.00 C ATOM 395 O THR A 28 6.554 9.517 4.850 1.00 0.00 O ATOM 396 CB THR A 28 6.740 6.270 5.533 1.00 0.00 C ATOM 397 OG1 THR A 28 7.484 5.051 5.629 1.00 0.00 O ATOM 398 CG2 THR A 28 5.723 6.164 4.407 1.00 0.00 C ATOM 0 H THR A 28 8.959 6.479 6.659 1.00 0.00 H new ATOM 0 HA THR A 28 7.954 7.499 4.239 1.00 0.00 H new ATOM 0 HB THR A 28 6.206 6.443 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.300 4.493 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.058 5.321 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.139 7.083 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.242 6.012 3.461 1.00 0.00 H new ATOM 406 N ASP A 29 6.903 8.979 7.008 1.00 0.00 N ATOM 407 CA ASP A 29 6.258 10.181 7.524 1.00 0.00 C ATOM 408 C ASP A 29 7.201 11.378 7.451 1.00 0.00 C ATOM 409 O ASP A 29 6.773 12.525 7.569 1.00 0.00 O ATOM 410 CB ASP A 29 5.806 9.961 8.969 1.00 0.00 C ATOM 411 CG ASP A 29 4.601 10.806 9.333 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.357 11.818 8.645 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.902 10.455 10.307 1.00 0.00 O ATOM 0 H ASP A 29 7.265 8.352 7.727 1.00 0.00 H new ATOM 0 HA ASP A 29 5.386 10.390 6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.565 8.908 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.629 10.197 9.644 1.00 0.00 H new ATOM 418 N ASN A 30 8.486 11.101 7.254 1.00 0.00 N ATOM 419 CA ASN A 30 9.490 12.155 7.167 1.00 0.00 C ATOM 420 C ASN A 30 9.699 12.588 5.718 1.00 0.00 C ATOM 421 O ASN A 30 10.047 13.738 5.447 1.00 0.00 O ATOM 422 CB ASN A 30 10.815 11.678 7.765 1.00 0.00 C ATOM 423 CG ASN A 30 10.761 11.570 9.276 1.00 0.00 C ATOM 424 OD1 ASN A 30 9.772 11.952 9.903 1.00 0.00 O ATOM 425 ND2 ASN A 30 11.828 11.048 9.870 1.00 0.00 N ATOM 0 H ASN A 30 8.856 10.156 7.152 1.00 0.00 H new ATOM 0 HA ASN A 30 9.131 13.012 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.072 10.707 7.343 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.609 12.369 7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.850 10.950 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.625 10.745 9.311 1.00 0.00 H new ATOM 432 N LEU A 31 9.483 11.660 4.793 1.00 0.00 N ATOM 433 CA LEU A 31 9.647 11.945 3.371 1.00 0.00 C ATOM 434 C LEU A 31 8.330 12.397 2.752 1.00 0.00 C ATOM 435 O LEU A 31 8.314 13.189 1.808 1.00 0.00 O ATOM 436 CB LEU A 31 10.170 10.706 2.640 1.00 0.00 C ATOM 437 CG LEU A 31 9.131 9.639 2.300 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.486 9.930 0.954 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.766 8.257 2.302 1.00 0.00 C ATOM 0 H LEU A 31 9.194 10.704 5.001 1.00 0.00 H new ATOM 0 HA LEU A 31 10.371 12.753 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.646 11.029 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.945 10.247 3.254 1.00 0.00 H new ATOM 0 HG LEU A 31 8.353 9.661 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.749 9.159 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.995 10.902 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.251 9.937 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.011 7.509 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.564 8.222 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.178 8.047 3.289 1.00 0.00 H new ATOM 451 N LEU A 32 7.225 11.890 3.287 1.00 0.00 N ATOM 452 CA LEU A 32 5.901 12.243 2.788 1.00 0.00 C ATOM 453 C LEU A 32 5.482 13.624 3.284 1.00 0.00 C ATOM 454 O LEU A 32 5.049 14.472 2.502 1.00 0.00 O ATOM 455 CB LEU A 32 4.873 11.198 3.226 1.00 0.00 C ATOM 456 CG LEU A 32 4.913 9.864 2.480 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.904 8.892 3.072 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.646 10.075 0.997 1.00 0.00 C ATOM 0 H LEU A 32 7.220 11.233 4.067 1.00 0.00 H new ATOM 0 HA LEU A 32 5.945 12.266 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.014 11.002 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.877 11.626 3.111 1.00 0.00 H new ATOM 0 HG LEU A 32 5.909 9.436 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.946 7.948 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.140 8.717 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.902 9.313 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.678 9.115 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.662 10.525 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.406 10.736 0.581 1.00 0.00 H new ATOM 470 N LYS A 33 5.616 13.844 4.587 1.00 0.00 N ATOM 471 CA LYS A 33 5.256 15.123 5.188 1.00 0.00 C ATOM 472 C LYS A 33 5.687 16.284 4.297 1.00 0.00 C ATOM 473 O LYS A 33 4.977 17.283 4.177 1.00 0.00 O ATOM 474 CB LYS A 33 5.900 15.260 6.569 1.00 0.00 C ATOM 475 CG LYS A 33 7.418 15.223 6.540 1.00 0.00 C ATOM 476 CD LYS A 33 8.010 15.462 7.919 1.00 0.00 C ATOM 477 CE LYS A 33 9.449 15.942 7.833 1.00 0.00 C ATOM 478 NZ LYS A 33 9.903 16.566 9.106 1.00 0.00 N ATOM 0 H LYS A 33 5.971 13.153 5.248 1.00 0.00 H new ATOM 0 HA LYS A 33 4.172 15.153 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.577 16.198 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.538 14.457 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.752 14.256 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.788 15.980 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.410 16.201 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.967 14.540 8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.098 15.101 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.543 16.663 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.889 16.880 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.300 17.384 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.838 15.870 9.876 1.00 0.00 H new ATOM 492 N SER A 34 6.853 16.145 3.674 1.00 0.00 N ATOM 493 CA SER A 34 7.380 17.183 2.796 1.00 0.00 C ATOM 494 C SER A 34 6.687 17.147 1.437 1.00 0.00 C ATOM 495 O SER A 34 6.493 18.182 0.799 1.00 0.00 O ATOM 496 CB SER A 34 8.889 17.012 2.618 1.00 0.00 C ATOM 497 OG SER A 34 9.439 18.085 1.873 1.00 0.00 O ATOM 0 H SER A 34 7.451 15.323 3.761 1.00 0.00 H new ATOM 0 HA SER A 34 7.184 18.151 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.370 16.959 3.595 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.094 16.070 2.110 1.00 0.00 H new ATOM 0 HG SER A 34 10.405 17.953 1.774 1.00 0.00 H new ATOM 503 N HIS A 35 6.317 15.948 1.000 1.00 0.00 N ATOM 504 CA HIS A 35 5.646 15.776 -0.283 1.00 0.00 C ATOM 505 C HIS A 35 4.342 16.567 -0.325 1.00 0.00 C ATOM 506 O HIS A 35 4.008 17.281 0.620 1.00 0.00 O ATOM 507 CB HIS A 35 5.366 14.295 -0.542 1.00 0.00 C ATOM 508 CG HIS A 35 6.468 13.596 -1.276 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.935 14.012 -2.506 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.198 12.505 -0.949 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.903 13.205 -2.902 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.082 12.282 -1.974 1.00 0.00 N ATOM 0 H HIS A 35 6.470 15.081 1.515 1.00 0.00 H new ATOM 0 HA HIS A 35 6.306 16.155 -1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.200 13.793 0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.444 14.203 -1.115 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.587 14.817 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.102 11.918 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.454 13.286 -3.827 1.00 0.00 H new ATOM 521 N ALA A 36 3.610 16.434 -1.426 1.00 0.00 N ATOM 522 CA ALA A 36 2.343 17.136 -1.590 1.00 0.00 C ATOM 523 C ALA A 36 1.193 16.343 -0.978 1.00 0.00 C ATOM 524 O ALA A 36 1.407 15.305 -0.351 1.00 0.00 O ATOM 525 CB ALA A 36 2.075 17.406 -3.063 1.00 0.00 C ATOM 0 H ALA A 36 3.873 15.847 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 36 2.414 18.088 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.126 17.931 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.877 18.020 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.030 16.461 -3.604 1.00 0.00 H new ATOM 531 N SER A 37 -0.026 16.838 -1.165 1.00 0.00 N ATOM 532 CA SER A 37 -1.210 16.177 -0.626 1.00 0.00 C ATOM 533 C SER A 37 -1.747 15.140 -1.610 1.00 0.00 C ATOM 534 O SER A 37 -2.942 14.854 -1.635 1.00 0.00 O ATOM 535 CB SER A 37 -2.296 17.207 -0.310 1.00 0.00 C ATOM 536 OG SER A 37 -2.972 17.613 -1.488 1.00 0.00 O ATOM 0 H SER A 37 -0.220 17.694 -1.685 1.00 0.00 H new ATOM 0 HA SER A 37 -0.925 15.667 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.011 16.782 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.849 18.075 0.174 1.00 0.00 H new ATOM 0 HG SER A 37 -3.662 18.270 -1.259 1.00 0.00 H new ATOM 542 N GLY A 38 -0.851 14.581 -2.418 1.00 0.00 N ATOM 543 CA GLY A 38 -1.253 13.582 -3.391 1.00 0.00 C ATOM 544 C GLY A 38 -0.205 12.504 -3.581 1.00 0.00 C ATOM 545 O GLY A 38 -0.314 11.673 -4.484 1.00 0.00 O ATOM 0 H GLY A 38 0.145 14.802 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.188 13.123 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.448 14.068 -4.347 1.00 0.00 H new ATOM 549 N THR A 39 0.816 12.516 -2.730 1.00 0.00 N ATOM 550 CA THR A 39 1.890 11.534 -2.811 1.00 0.00 C ATOM 551 C THR A 39 1.521 10.254 -2.070 1.00 0.00 C ATOM 552 O THR A 39 1.292 10.269 -0.860 1.00 0.00 O ATOM 553 CB THR A 39 3.204 12.089 -2.230 1.00 0.00 C ATOM 554 OG1 THR A 39 3.622 13.238 -2.975 1.00 0.00 O ATOM 555 CG2 THR A 39 4.298 11.033 -2.259 1.00 0.00 C ATOM 0 H THR A 39 0.922 13.195 -1.976 1.00 0.00 H new ATOM 0 HA THR A 39 2.035 11.310 -3.868 1.00 0.00 H new ATOM 0 HB THR A 39 3.025 12.374 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.563 13.138 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.216 11.449 -1.844 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.989 10.172 -1.666 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.474 10.720 -3.288 1.00 0.00 H new ATOM 563 N TYR A 40 1.464 9.148 -2.803 1.00 0.00 N ATOM 564 CA TYR A 40 1.121 7.858 -2.215 1.00 0.00 C ATOM 565 C TYR A 40 2.256 6.855 -2.401 1.00 0.00 C ATOM 566 O TYR A 40 3.180 7.082 -3.182 1.00 0.00 O ATOM 567 CB TYR A 40 -0.164 7.314 -2.843 1.00 0.00 C ATOM 568 CG TYR A 40 0.042 6.705 -4.211 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.229 7.507 -5.329 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.048 5.326 -4.385 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.417 6.954 -6.581 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.235 4.765 -5.633 1.00 0.00 C ATOM 573 CZ TYR A 40 0.419 5.583 -6.728 1.00 0.00 C ATOM 574 OH TYR A 40 0.607 5.029 -7.974 1.00 0.00 O ATOM 0 H TYR A 40 1.651 9.118 -3.805 1.00 0.00 H new ATOM 0 HA TYR A 40 0.962 8.005 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.592 6.562 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.891 8.122 -2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.227 8.581 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.096 4.682 -3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.562 7.592 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.237 3.691 -5.751 1.00 0.00 H new ATOM 0 HH TYR A 40 1.259 4.300 -7.913 1.00 0.00 H new ATOM 584 N LEU A 41 2.178 5.743 -1.678 1.00 0.00 N ATOM 585 CA LEU A 41 3.197 4.703 -1.762 1.00 0.00 C ATOM 586 C LEU A 41 2.732 3.427 -1.067 1.00 0.00 C ATOM 587 O LEU A 41 1.813 3.455 -0.247 1.00 0.00 O ATOM 588 CB LEU A 41 4.505 5.190 -1.137 1.00 0.00 C ATOM 589 CG LEU A 41 4.684 4.901 0.354 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.336 3.543 0.560 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.510 5.996 1.014 1.00 0.00 C ATOM 0 H LEU A 41 1.420 5.539 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 41 3.366 4.480 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.335 4.734 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.579 6.267 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 41 3.700 4.883 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.455 3.355 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.707 2.767 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.314 3.532 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.627 5.774 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.492 6.045 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.003 6.954 0.898 1.00 0.00 H new ATOM 603 N ILE A 42 3.372 2.311 -1.398 1.00 0.00 N ATOM 604 CA ILE A 42 3.027 1.027 -0.804 1.00 0.00 C ATOM 605 C ILE A 42 4.265 0.318 -0.267 1.00 0.00 C ATOM 606 O ILE A 42 5.216 0.063 -1.006 1.00 0.00 O ATOM 607 CB ILE A 42 2.321 0.108 -1.819 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.883 0.574 -2.048 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.346 -1.334 -1.334 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.743 1.570 -3.179 1.00 0.00 C ATOM 0 H ILE A 42 4.133 2.271 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 42 2.345 1.235 0.021 1.00 0.00 H new ATOM 0 HB ILE A 42 2.855 0.161 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.258 -0.294 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.505 1.024 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.843 -1.971 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.379 -1.661 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.833 -1.404 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.303 1.856 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.341 2.455 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.090 1.117 -4.108 1.00 0.00 H new ATOM 622 N ARG A 43 4.246 0.001 1.024 1.00 0.00 N ATOM 623 CA ARG A 43 5.368 -0.679 1.659 1.00 0.00 C ATOM 624 C ARG A 43 4.885 -1.867 2.486 1.00 0.00 C ATOM 625 O ARG A 43 3.695 -1.995 2.769 1.00 0.00 O ATOM 626 CB ARG A 43 6.144 0.293 2.549 1.00 0.00 C ATOM 627 CG ARG A 43 5.257 1.277 3.295 1.00 0.00 C ATOM 628 CD ARG A 43 4.839 0.732 4.652 1.00 0.00 C ATOM 629 NE ARG A 43 5.921 0.811 5.630 1.00 0.00 N ATOM 630 CZ ARG A 43 5.891 0.201 6.809 1.00 0.00 C ATOM 631 NH1 ARG A 43 4.841 -0.531 7.154 1.00 0.00 N ATOM 632 NH2 ARG A 43 6.914 0.321 7.645 1.00 0.00 N ATOM 0 H ARG A 43 3.467 0.204 1.650 1.00 0.00 H new ATOM 0 HA ARG A 43 6.028 -1.048 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.728 -0.277 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.852 0.849 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.789 2.219 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.370 1.493 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.978 1.291 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.523 -0.306 4.544 1.00 0.00 H new ATOM 0 HE ARG A 43 6.744 1.365 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.053 -0.627 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.821 -0.998 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.724 0.882 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.890 -0.148 8.551 1.00 0.00 H new ATOM 646 N GLU A 44 5.818 -2.735 2.868 1.00 0.00 N ATOM 647 CA GLU A 44 5.486 -3.912 3.661 1.00 0.00 C ATOM 648 C GLU A 44 5.611 -3.617 5.153 1.00 0.00 C ATOM 649 O GLU A 44 6.403 -2.769 5.565 1.00 0.00 O ATOM 650 CB GLU A 44 6.398 -5.081 3.284 1.00 0.00 C ATOM 651 CG GLU A 44 6.494 -6.150 4.360 1.00 0.00 C ATOM 652 CD GLU A 44 7.236 -7.386 3.889 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.098 -7.746 2.701 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.955 -7.994 4.709 1.00 0.00 O ATOM 0 H GLU A 44 6.808 -2.645 2.641 1.00 0.00 H new ATOM 0 HA GLU A 44 4.452 -4.182 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.030 -5.535 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.397 -4.698 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.000 -5.737 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.490 -6.432 4.677 1.00 0.00 H new ATOM 749 N ARG A 51 1.381 -8.059 5.921 1.00 0.00 N ATOM 750 CA ARG A 51 2.659 -7.958 5.228 1.00 0.00 C ATOM 751 C ARG A 51 2.609 -6.878 4.150 1.00 0.00 C ATOM 752 O ARG A 51 3.379 -6.909 3.189 1.00 0.00 O ATOM 753 CB ARG A 51 3.031 -9.303 4.600 1.00 0.00 C ATOM 754 CG ARG A 51 4.530 -9.529 4.489 1.00 0.00 C ATOM 755 CD ARG A 51 4.851 -10.684 3.552 1.00 0.00 C ATOM 756 NE ARG A 51 4.682 -10.314 2.149 1.00 0.00 N ATOM 757 CZ ARG A 51 5.305 -10.926 1.148 1.00 0.00 C ATOM 758 NH1 ARG A 51 6.133 -11.933 1.394 1.00 0.00 N ATOM 759 NH2 ARG A 51 5.100 -10.532 -0.102 1.00 0.00 N ATOM 0 HA ARG A 51 3.419 -7.683 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.594 -10.105 5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.588 -9.365 3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.010 -8.620 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.942 -9.735 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.877 -11.012 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.204 -11.530 3.784 1.00 0.00 H new ATOM 0 HE ARG A 51 4.051 -9.544 1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.293 -12.239 2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.610 -12.401 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.464 -9.759 -0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.579 -11.002 -0.870 1.00 0.00 H new ATOM 773 N PHE A 52 1.699 -5.925 4.317 1.00 0.00 N ATOM 774 CA PHE A 52 1.548 -4.836 3.359 1.00 0.00 C ATOM 775 C PHE A 52 0.864 -3.635 4.005 1.00 0.00 C ATOM 776 O PHE A 52 0.003 -3.788 4.872 1.00 0.00 O ATOM 777 CB PHE A 52 0.743 -5.305 2.146 1.00 0.00 C ATOM 778 CG PHE A 52 1.562 -6.055 1.136 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.781 -5.556 0.704 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.115 -7.259 0.616 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.538 -6.244 -0.225 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.868 -7.952 -0.312 1.00 0.00 C ATOM 783 CZ PHE A 52 3.080 -7.442 -0.735 1.00 0.00 C ATOM 0 H PHE A 52 1.055 -5.884 5.107 1.00 0.00 H new ATOM 0 HA PHE A 52 2.542 -4.532 3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.073 -5.943 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.290 -4.439 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.143 -4.618 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.166 -7.661 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.487 -5.845 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.509 -8.891 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.668 -7.980 -1.464 1.00 0.00 H new ATOM 793 N ALA A 53 1.254 -2.438 3.576 1.00 0.00 N ATOM 794 CA ALA A 53 0.677 -1.211 4.110 1.00 0.00 C ATOM 795 C ALA A 53 0.718 -0.090 3.077 1.00 0.00 C ATOM 796 O ALA A 53 1.657 0.002 2.284 1.00 0.00 O ATOM 797 CB ALA A 53 1.410 -0.791 5.376 1.00 0.00 C ATOM 0 H ALA A 53 1.967 -2.293 2.861 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.367 -1.406 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.969 0.127 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.325 -1.579 6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.462 -0.620 5.147 1.00 0.00 H new ATOM 803 N ILE A 54 -0.303 0.759 3.091 1.00 0.00 N ATOM 804 CA ILE A 54 -0.383 1.873 2.154 1.00 0.00 C ATOM 805 C ILE A 54 -0.180 3.205 2.868 1.00 0.00 C ATOM 806 O ILE A 54 -0.858 3.503 3.851 1.00 0.00 O ATOM 807 CB ILE A 54 -1.737 1.897 1.420 1.00 0.00 C ATOM 808 CG1 ILE A 54 -2.117 0.487 0.962 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.679 2.848 0.234 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.607 0.295 0.775 1.00 0.00 C ATOM 0 H ILE A 54 -1.087 0.697 3.741 1.00 0.00 H new ATOM 0 HA ILE A 54 0.413 1.729 1.423 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.502 2.254 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.610 0.270 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.755 -0.235 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.643 2.854 -0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.447 3.854 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.905 2.518 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.804 -0.727 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.119 0.481 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.972 0.993 0.021 1.00 0.00 H new ATOM 822 N SER A 55 0.755 4.005 2.363 1.00 0.00 N ATOM 823 CA SER A 55 1.048 5.305 2.953 1.00 0.00 C ATOM 824 C SER A 55 0.802 6.426 1.947 1.00 0.00 C ATOM 825 O SER A 55 1.441 6.484 0.896 1.00 0.00 O ATOM 826 CB SER A 55 2.497 5.352 3.440 1.00 0.00 C ATOM 827 OG SER A 55 2.597 4.918 4.786 1.00 0.00 O ATOM 0 H SER A 55 1.322 3.775 1.547 1.00 0.00 H new ATOM 0 HA SER A 55 0.381 5.449 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.118 4.721 2.804 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.880 6.369 3.353 1.00 0.00 H new ATOM 0 HG SER A 55 1.942 5.398 5.334 1.00 0.00 H new ATOM 833 N ILE A 56 -0.130 7.314 2.278 1.00 0.00 N ATOM 834 CA ILE A 56 -0.461 8.434 1.405 1.00 0.00 C ATOM 835 C ILE A 56 -0.550 9.736 2.192 1.00 0.00 C ATOM 836 O ILE A 56 -1.131 9.781 3.278 1.00 0.00 O ATOM 837 CB ILE A 56 -1.794 8.198 0.670 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.962 6.715 0.335 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.857 9.042 -0.594 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.494 5.893 1.488 1.00 0.00 C ATOM 0 H ILE A 56 -0.669 7.280 3.143 1.00 0.00 H new ATOM 0 HA ILE A 56 0.341 8.511 0.671 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.612 8.497 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.639 6.617 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.999 6.310 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.804 8.865 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.778 10.097 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.034 8.770 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.588 4.852 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.807 5.961 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.471 6.273 1.785 1.00 0.00 H new ATOM 852 N LYS A 57 0.027 10.796 1.637 1.00 0.00 N ATOM 853 CA LYS A 57 0.011 12.103 2.285 1.00 0.00 C ATOM 854 C LYS A 57 -1.293 12.839 1.992 1.00 0.00 C ATOM 855 O LYS A 57 -1.665 13.026 0.833 1.00 0.00 O ATOM 856 CB LYS A 57 1.200 12.943 1.814 1.00 0.00 C ATOM 857 CG LYS A 57 1.160 14.381 2.301 1.00 0.00 C ATOM 858 CD LYS A 57 1.220 14.459 3.817 1.00 0.00 C ATOM 859 CE LYS A 57 1.503 15.876 4.291 1.00 0.00 C ATOM 860 NZ LYS A 57 0.741 16.887 3.507 1.00 0.00 N ATOM 0 H LYS A 57 0.512 10.776 0.740 1.00 0.00 H new ATOM 0 HA LYS A 57 0.087 11.949 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.123 12.477 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.229 12.938 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.997 14.934 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.247 14.861 1.947 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.275 14.115 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.996 13.789 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.244 15.964 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.570 16.081 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.896 17.831 3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.067 16.879 2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.273 16.658 3.538 1.00 0.00 H new ATOM 874 N PHE A 58 -1.981 13.258 3.049 1.00 0.00 N ATOM 875 CA PHE A 58 -3.242 13.975 2.905 1.00 0.00 C ATOM 876 C PHE A 58 -3.593 14.723 4.188 1.00 0.00 C ATOM 877 O PHE A 58 -3.302 14.257 5.289 1.00 0.00 O ATOM 878 CB PHE A 58 -4.368 13.003 2.544 1.00 0.00 C ATOM 879 CG PHE A 58 -5.724 13.646 2.499 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.126 14.367 1.386 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.596 13.529 3.569 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.374 14.960 1.341 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.846 14.120 3.530 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.235 14.838 2.415 1.00 0.00 C ATOM 0 H PHE A 58 -1.686 13.113 4.015 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.127 14.702 2.101 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.154 12.557 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.384 12.191 3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.457 14.467 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.297 12.970 4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.676 15.518 0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.517 14.020 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.209 15.303 2.383 1.00 0.00 H new ATOM 894 N ASN A 59 -4.220 15.885 4.037 1.00 0.00 N ATOM 895 CA ASN A 59 -4.609 16.699 5.182 1.00 0.00 C ATOM 896 C ASN A 59 -3.418 16.948 6.102 1.00 0.00 C ATOM 897 O ASN A 59 -3.520 16.797 7.320 1.00 0.00 O ATOM 898 CB ASN A 59 -5.735 16.014 5.960 1.00 0.00 C ATOM 899 CG ASN A 59 -6.601 17.005 6.715 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.054 18.003 6.154 1.00 0.00 O ATOM 901 ND2 ASN A 59 -6.835 16.732 7.993 1.00 0.00 N ATOM 0 H ASN A 59 -4.470 16.284 3.132 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.965 17.660 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.357 15.445 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.305 15.301 6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.411 17.361 8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.439 15.893 8.416 1.00 0.00 H new ATOM 908 N ASP A 60 -2.291 17.330 5.512 1.00 0.00 N ATOM 909 CA ASP A 60 -1.081 17.602 6.279 1.00 0.00 C ATOM 910 C ASP A 60 -0.792 16.469 7.258 1.00 0.00 C ATOM 911 O ASP A 60 -0.139 16.671 8.281 1.00 0.00 O ATOM 912 CB ASP A 60 -1.216 18.925 7.034 1.00 0.00 C ATOM 913 CG ASP A 60 -1.471 20.096 6.108 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.842 20.149 5.030 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.300 20.963 6.460 1.00 0.00 O ATOM 0 H ASP A 60 -2.190 17.458 4.505 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.247 17.676 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.033 18.849 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.306 19.109 7.605 1.00 0.00 H new ATOM 920 N GLU A 61 -1.284 15.276 6.938 1.00 0.00 N ATOM 921 CA GLU A 61 -1.079 14.111 7.791 1.00 0.00 C ATOM 922 C GLU A 61 -0.876 12.852 6.955 1.00 0.00 C ATOM 923 O GLU A 61 -1.539 12.656 5.936 1.00 0.00 O ATOM 924 CB GLU A 61 -2.273 13.925 8.732 1.00 0.00 C ATOM 925 CG GLU A 61 -2.416 15.036 9.759 1.00 0.00 C ATOM 926 CD GLU A 61 -3.455 14.720 10.817 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.509 13.555 11.267 1.00 0.00 O ATOM 928 OE2 GLU A 61 -4.215 15.636 11.196 1.00 0.00 O ATOM 0 H GLU A 61 -1.827 15.091 6.095 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.180 14.280 8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.186 13.869 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.171 12.972 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.453 15.207 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.688 15.962 9.252 1.00 0.00 H new ATOM 935 N VAL A 62 0.046 12.000 7.392 1.00 0.00 N ATOM 936 CA VAL A 62 0.337 10.759 6.684 1.00 0.00 C ATOM 937 C VAL A 62 -0.412 9.585 7.303 1.00 0.00 C ATOM 938 O VAL A 62 -0.065 9.114 8.387 1.00 0.00 O ATOM 939 CB VAL A 62 1.846 10.452 6.689 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.129 9.148 5.956 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.627 11.601 6.069 1.00 0.00 C ATOM 0 H VAL A 62 0.604 12.147 8.233 1.00 0.00 H new ATOM 0 HA VAL A 62 0.005 10.895 5.655 1.00 0.00 H new ATOM 0 HB VAL A 62 2.171 10.338 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.200 8.948 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.601 8.332 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.789 9.230 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.691 11.366 6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.300 11.750 5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.450 12.512 6.641 1.00 0.00 H new ATOM 951 N LYS A 63 -1.442 9.115 6.608 1.00 0.00 N ATOM 952 CA LYS A 63 -2.241 7.993 7.087 1.00 0.00 C ATOM 953 C LYS A 63 -1.605 6.663 6.693 1.00 0.00 C ATOM 954 O LYS A 63 -1.249 6.454 5.532 1.00 0.00 O ATOM 955 CB LYS A 63 -3.663 8.077 6.527 1.00 0.00 C ATOM 956 CG LYS A 63 -4.619 8.860 7.409 1.00 0.00 C ATOM 957 CD LYS A 63 -4.181 10.307 7.558 1.00 0.00 C ATOM 958 CE LYS A 63 -4.706 11.169 6.420 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.826 12.600 6.817 1.00 0.00 N ATOM 0 H LYS A 63 -1.743 9.494 5.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.282 8.047 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.629 8.541 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.051 7.068 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.621 8.824 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.674 8.392 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.540 10.701 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.092 10.358 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.038 11.085 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.680 10.797 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.753 12.966 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.736 12.682 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.073 13.152 6.359 1.00 0.00 H new ATOM 973 N HIS A 64 -1.465 5.768 7.665 1.00 0.00 N ATOM 974 CA HIS A 64 -0.874 4.458 7.419 1.00 0.00 C ATOM 975 C HIS A 64 -1.946 3.372 7.401 1.00 0.00 C ATOM 976 O HIS A 64 -2.510 3.026 8.440 1.00 0.00 O ATOM 977 CB HIS A 64 0.174 4.139 8.485 1.00 0.00 C ATOM 978 CG HIS A 64 1.474 4.856 8.281 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.511 4.334 7.538 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.900 6.061 8.726 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.521 5.187 7.536 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.174 6.244 8.250 1.00 0.00 N ATOM 0 H HIS A 64 -1.753 5.926 8.631 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.391 4.483 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.225 4.400 9.465 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.358 3.065 8.492 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.341 6.750 9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.468 5.045 7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.758 7.063 8.420 1.00 0.00 H new ATOM 991 N ILE A 65 -2.223 2.840 6.216 1.00 0.00 N ATOM 992 CA ILE A 65 -3.227 1.794 6.064 1.00 0.00 C ATOM 993 C ILE A 65 -2.609 0.410 6.235 1.00 0.00 C ATOM 994 O ILE A 65 -1.423 0.211 5.974 1.00 0.00 O ATOM 995 CB ILE A 65 -3.917 1.870 4.690 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.601 3.227 4.514 1.00 0.00 C ATOM 997 CG2 ILE A 65 -4.923 0.739 4.539 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.168 3.442 3.128 1.00 0.00 C ATOM 0 H ILE A 65 -1.766 3.116 5.347 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.971 1.956 6.844 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.160 1.762 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.405 3.317 5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.883 4.018 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.402 0.806 3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.410 -0.219 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.679 0.818 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.638 4.424 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.365 3.384 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.910 2.673 2.915 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.422 -0.545 6.674 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.958 -1.912 6.877 1.00 0.00 C ATOM 1012 C LYS A 66 -3.683 -2.877 5.943 1.00 0.00 C ATOM 1013 O LYS A 66 -4.905 -2.826 5.810 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.172 -2.336 8.331 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.590 -2.109 8.828 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.785 -2.660 10.230 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.250 -2.955 10.515 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.577 -2.796 11.959 1.00 0.00 N ATOM 0 H LYS A 66 -4.406 -0.397 6.896 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.893 -1.944 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.925 -3.393 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.480 -1.784 8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.812 -1.042 8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.296 -2.586 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.200 -3.572 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.409 -1.943 10.959 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.877 -2.286 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.484 -3.972 10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.584 -3.006 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.997 -3.452 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.378 -1.819 12.254 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.921 -3.756 5.300 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.492 -4.734 4.381 1.00 0.00 C ATOM 1034 C VAL A 67 -3.566 -6.114 5.024 1.00 0.00 C ATOM 1035 O VAL A 67 -2.805 -6.426 5.940 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.670 -4.829 3.082 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.260 -5.878 2.152 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.602 -3.474 2.394 1.00 0.00 C ATOM 0 H VAL A 67 -1.907 -3.811 5.398 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.499 -4.393 4.141 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.655 -5.133 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.666 -5.931 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.252 -6.849 2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.286 -5.607 1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.017 -3.560 1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.610 -3.138 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.130 -2.751 3.059 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.487 -6.939 4.538 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.661 -8.288 5.064 1.00 0.00 C ATOM 1050 C VAL A 68 -4.920 -9.287 3.941 1.00 0.00 C ATOM 1051 O VAL A 68 -5.381 -8.916 2.862 1.00 0.00 O ATOM 1052 CB VAL A 68 -5.824 -8.352 6.072 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -5.601 -7.365 7.207 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -7.148 -8.084 5.374 1.00 0.00 C ATOM 0 H VAL A 68 -5.125 -6.697 3.780 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.734 -8.551 5.573 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.860 -9.355 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.432 -7.424 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.672 -7.608 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.538 -6.354 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.959 -8.133 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.126 -7.093 4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.309 -8.834 4.599 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.620 -10.555 4.203 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.821 -11.607 3.215 1.00 0.00 C ATOM 1066 C GLU A 69 -5.557 -12.796 3.826 1.00 0.00 C ATOM 1067 O GLU A 69 -4.997 -13.541 4.632 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.477 -12.064 2.644 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.938 -11.155 1.552 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.423 -11.127 1.511 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.807 -12.208 1.613 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.853 -10.024 1.376 1.00 0.00 O ATOM 0 H GLU A 69 -4.237 -10.878 5.091 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.431 -11.200 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.748 -12.118 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.586 -13.072 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.318 -11.489 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.312 -10.143 1.709 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.816 -12.967 3.440 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.630 -14.065 3.948 1.00 0.00 C ATOM 1081 C LYS A 70 -8.462 -14.689 2.831 1.00 0.00 C ATOM 1082 O LYS A 70 -8.840 -14.012 1.874 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.551 -13.570 5.066 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.334 -14.679 5.746 1.00 0.00 C ATOM 1085 CD LYS A 70 -10.302 -14.126 6.778 1.00 0.00 C ATOM 1086 CE LYS A 70 -9.579 -13.702 8.049 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.064 -14.873 8.810 1.00 0.00 N ATOM 0 H LYS A 70 -7.296 -12.359 2.776 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.959 -14.826 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.953 -13.048 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.251 -12.843 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.885 -15.248 4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.643 -15.371 6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.834 -13.272 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.050 -14.881 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.750 -13.042 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.259 -13.129 8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.825 -14.580 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.793 -15.614 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.213 -15.245 8.341 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.742 -15.980 2.960 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.530 -16.695 1.962 1.00 0.00 C ATOM 1103 C ASP A 71 -8.953 -16.491 0.565 1.00 0.00 C ATOM 1104 O ASP A 71 -9.686 -16.459 -0.422 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.985 -16.226 1.999 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.674 -16.575 3.304 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.607 -17.754 3.712 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.280 -15.672 3.917 1.00 0.00 O ATOM 0 H ASP A 71 -8.435 -16.554 3.746 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.492 -17.758 2.199 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.019 -15.147 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.531 -16.679 1.171 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.633 -16.352 0.490 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.957 -16.149 -0.785 1.00 0.00 C ATOM 1115 C ASN A 72 -7.364 -14.818 -1.412 1.00 0.00 C ATOM 1116 O ASN A 72 -7.415 -14.686 -2.635 1.00 0.00 O ATOM 1117 CB ASN A 72 -7.278 -17.296 -1.745 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.273 -18.428 -1.650 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.514 -18.519 -0.685 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -6.263 -19.296 -2.654 1.00 0.00 N ATOM 0 H ASN A 72 -7.011 -16.376 1.298 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.883 -16.129 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.275 -17.680 -1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.298 -16.916 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.608 -20.078 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.910 -19.181 -3.434 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.653 -13.837 -0.565 1.00 0.00 N ATOM 1128 CA TRP A 73 -8.055 -12.515 -1.035 1.00 0.00 C ATOM 1129 C TRP A 73 -7.240 -11.423 -0.354 1.00 0.00 C ATOM 1130 O TRP A 73 -6.444 -11.699 0.544 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.546 -12.293 -0.778 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.423 -12.794 -1.885 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.980 -14.037 -1.991 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.840 -12.064 -3.045 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.718 -14.123 -3.147 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.649 -12.927 -3.810 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -10.611 -10.767 -3.510 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -12.228 -12.531 -5.014 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -11.185 -10.376 -4.704 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -11.987 -11.256 -5.445 1.00 0.00 C ATOM 0 H TRP A 73 -7.617 -13.931 0.450 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.867 -12.465 -2.107 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.825 -12.792 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.728 -11.228 -0.635 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.858 -14.834 -1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.234 -14.945 -3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.996 -10.082 -2.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.845 -13.207 -5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -11.013 -9.376 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -12.423 -10.920 -6.374 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.443 -10.183 -0.786 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.726 -9.049 -0.215 1.00 0.00 C ATOM 1153 C ILE A 74 -7.646 -7.845 -0.046 1.00 0.00 C ATOM 1154 O ILE A 74 -8.327 -7.433 -0.987 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.525 -8.644 -1.090 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.308 -9.509 -0.756 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.202 -7.170 -0.895 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.335 -9.651 -1.905 1.00 0.00 C ATOM 0 H ILE A 74 -8.098 -9.938 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.363 -9.366 0.763 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.786 -8.805 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.788 -9.076 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.648 -10.500 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.351 -6.898 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.066 -6.568 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.957 -6.986 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.497 -10.277 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.839 -10.112 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.966 -8.667 -2.193 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.663 -7.284 1.159 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.499 -6.124 1.451 1.00 0.00 C ATOM 1172 C HIS A 75 -7.965 -5.361 2.659 1.00 0.00 C ATOM 1173 O HIS A 75 -6.912 -5.697 3.202 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.942 -6.561 1.705 1.00 0.00 C ATOM 1175 CG HIS A 75 -10.068 -7.643 2.732 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.148 -7.390 4.085 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.130 -8.988 2.597 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.252 -8.533 4.739 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.245 -9.519 3.859 1.00 0.00 N ATOM 0 H HIS A 75 -7.108 -7.613 1.949 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.475 -5.461 0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.523 -5.697 2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.378 -6.908 0.768 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.096 -9.541 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.330 -8.643 5.811 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.314 -10.512 4.081 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.699 -4.333 3.075 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.299 -3.523 4.218 1.00 0.00 C ATOM 1190 C ILE A 76 -9.508 -3.120 5.055 1.00 0.00 C ATOM 1191 O ILE A 76 -10.551 -2.744 4.519 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.548 -2.254 3.774 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.468 -1.356 2.943 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.303 -2.623 2.983 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.776 -0.130 2.389 1.00 0.00 C ATOM 0 H ILE A 76 -9.573 -4.042 2.637 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.631 -4.137 4.822 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.239 -1.703 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.879 -1.936 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.309 -1.041 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.784 -1.715 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.642 -3.226 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.589 -3.193 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.488 0.460 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.389 0.472 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.952 -0.437 1.745 1.00 0.00 H new ATOM 1207 N THR A 77 -9.361 -3.198 6.374 1.00 0.00 N ATOM 1208 CA THR A 77 -10.440 -2.841 7.286 1.00 0.00 C ATOM 1209 C THR A 77 -11.750 -3.503 6.874 1.00 0.00 C ATOM 1210 O THR A 77 -12.831 -3.010 7.193 1.00 0.00 O ATOM 1211 CB THR A 77 -10.645 -1.315 7.344 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.487 -0.975 8.451 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.265 -0.804 6.053 1.00 0.00 C ATOM 0 H THR A 77 -8.504 -3.506 6.834 1.00 0.00 H new ATOM 0 HA THR A 77 -10.150 -3.199 8.274 1.00 0.00 H new ATOM 0 HB THR A 77 -9.670 -0.844 7.472 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.325 -1.479 8.392 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.400 0.276 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.607 -1.038 5.216 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.232 -1.283 5.900 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.645 -4.622 6.166 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.822 -5.351 5.710 1.00 0.00 C ATOM 1223 C GLU A 78 -13.703 -4.467 4.831 1.00 0.00 C ATOM 1224 O GLU A 78 -14.925 -4.454 4.974 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.627 -5.862 6.907 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.934 -6.973 7.677 1.00 0.00 C ATOM 1227 CD GLU A 78 -11.605 -6.536 8.261 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -11.574 -5.498 8.956 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -10.595 -7.232 8.025 1.00 0.00 O ATOM 0 H GLU A 78 -10.757 -5.044 5.895 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.485 -6.201 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.823 -5.030 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.594 -6.223 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.586 -7.314 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.774 -7.824 7.015 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.072 -3.731 3.923 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.797 -2.845 3.020 1.00 0.00 C ATOM 1238 C ALA A 79 -14.223 -3.582 1.754 1.00 0.00 C ATOM 1239 O ALA A 79 -15.395 -3.920 1.584 1.00 0.00 O ATOM 1240 CB ALA A 79 -12.942 -1.636 2.667 1.00 0.00 C ATOM 0 H ALA A 79 -12.060 -3.730 3.793 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.697 -2.503 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.496 -0.983 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.691 -1.090 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.026 -1.968 2.179 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.264 -3.827 0.868 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.539 -4.524 -0.384 1.00 0.00 C ATOM 1248 C LYS A 80 -12.484 -5.591 -0.655 1.00 0.00 C ATOM 1249 O LYS A 80 -11.292 -5.369 -0.443 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.584 -3.529 -1.547 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.622 -4.191 -2.912 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.048 -4.397 -3.393 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.140 -4.338 -4.910 1.00 0.00 C ATOM 1254 NZ LYS A 80 -14.975 -5.683 -5.528 1.00 0.00 N ATOM 0 H LYS A 80 -12.289 -3.554 0.993 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.510 -5.012 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.462 -2.893 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.711 -2.879 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.080 -3.576 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.110 -5.152 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.415 -5.362 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.693 -3.633 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.105 -3.921 -5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.374 -3.665 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.044 -5.601 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.044 -6.070 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.721 -6.318 -5.181 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.930 -6.752 -1.126 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.026 -7.854 -1.429 1.00 0.00 C ATOM 1270 C LYS A 81 -11.566 -7.796 -2.882 1.00 0.00 C ATOM 1271 O LYS A 81 -12.358 -7.994 -3.803 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.711 -9.194 -1.152 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.631 -9.169 0.056 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.753 -10.185 -0.076 1.00 0.00 C ATOM 1275 CE LYS A 81 -14.212 -11.605 -0.146 1.00 0.00 C ATOM 1276 NZ LYS A 81 -13.940 -12.026 -1.548 1.00 0.00 N ATOM 0 H LYS A 81 -13.914 -6.953 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.151 -7.761 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.286 -9.487 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.948 -9.958 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.055 -9.377 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.054 -8.171 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.430 -10.094 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.335 -9.972 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.294 -11.673 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.929 -12.290 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.338 -12.973 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.378 -11.349 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.913 -12.050 -1.710 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.280 -7.524 -3.080 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.714 -7.441 -4.422 1.00 0.00 C ATOM 1292 C PHE A 82 -8.816 -8.642 -4.709 1.00 0.00 C ATOM 1293 O PHE A 82 -8.028 -9.058 -3.859 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.918 -6.145 -4.583 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.783 -4.925 -4.731 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.648 -4.798 -5.806 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.733 -3.906 -3.793 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.445 -3.677 -5.944 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.527 -2.782 -3.925 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.385 -2.669 -5.002 1.00 0.00 C ATOM 0 H PHE A 82 -9.610 -7.357 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.536 -7.445 -5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.268 -6.017 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.272 -6.231 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.700 -5.584 -6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.065 -3.991 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.114 -3.590 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.477 -1.994 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.008 -1.793 -5.107 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.940 -9.191 -5.911 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.140 -10.343 -6.311 1.00 0.00 C ATOM 1312 C ASP A 83 -6.748 -10.280 -5.690 1.00 0.00 C ATOM 1313 O ASP A 83 -6.186 -11.302 -5.299 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.029 -10.409 -7.836 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.545 -11.760 -8.323 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.314 -11.954 -8.409 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -8.397 -12.625 -8.620 1.00 0.00 O ATOM 0 H ASP A 83 -9.587 -8.858 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.638 -11.243 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.002 -10.194 -8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.344 -9.635 -8.181 1.00 0.00 H new ATOM 1322 N SER A 84 -6.199 -9.074 -5.602 1.00 0.00 N ATOM 1323 CA SER A 84 -4.870 -8.877 -5.033 1.00 0.00 C ATOM 1324 C SER A 84 -4.631 -7.407 -4.709 1.00 0.00 C ATOM 1325 O SER A 84 -5.523 -6.571 -4.857 1.00 0.00 O ATOM 1326 CB SER A 84 -3.798 -9.379 -6.001 1.00 0.00 C ATOM 1327 OG SER A 84 -3.611 -10.779 -5.875 1.00 0.00 O ATOM 0 H SER A 84 -6.654 -8.217 -5.917 1.00 0.00 H new ATOM 0 HA SER A 84 -4.809 -9.449 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.086 -9.138 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.857 -8.864 -5.805 1.00 0.00 H new ATOM 0 HG SER A 84 -4.426 -11.187 -5.514 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.418 -7.095 -4.264 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.057 -5.725 -3.918 1.00 0.00 C ATOM 1335 C LEU A 85 -3.167 -4.810 -5.133 1.00 0.00 C ATOM 1336 O LEU A 85 -3.875 -3.803 -5.103 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.636 -5.677 -3.355 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.072 -4.284 -3.072 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.866 -3.601 -1.969 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.400 -4.370 -2.698 1.00 0.00 C ATOM 0 H LEU A 85 -2.668 -7.774 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.754 -5.373 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.614 -6.251 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.971 -6.180 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.161 -3.686 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.450 -2.611 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.907 -3.505 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.810 -4.197 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.784 -3.369 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.513 -4.985 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.959 -4.817 -3.520 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.463 -5.167 -6.201 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.483 -4.379 -7.428 1.00 0.00 C ATOM 1354 C LEU A 86 -3.874 -3.810 -7.688 1.00 0.00 C ATOM 1355 O LEU A 86 -4.032 -2.610 -7.911 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.040 -5.236 -8.615 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.036 -4.545 -9.979 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.056 -3.382 -9.985 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.694 -5.538 -11.080 1.00 0.00 C ATOM 0 H LEU A 86 -1.871 -5.997 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.788 -3.548 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.034 -5.606 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.694 -6.106 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.035 -4.153 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.067 -2.902 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.345 -2.658 -9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.052 -3.751 -9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.696 -5.028 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.706 -5.960 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.434 -6.338 -11.091 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.879 -4.680 -7.657 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.256 -4.262 -7.888 1.00 0.00 C ATOM 1373 C GLU A 87 -6.693 -3.229 -6.853 1.00 0.00 C ATOM 1374 O GLU A 87 -7.214 -2.168 -7.200 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.194 -5.471 -7.844 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.394 -6.135 -9.196 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.514 -5.500 -9.997 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.556 -4.254 -10.075 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -9.348 -6.249 -10.546 1.00 0.00 O ATOM 0 H GLU A 87 -4.765 -5.677 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.308 -3.805 -8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.795 -6.205 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.163 -5.155 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.467 -6.077 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.612 -7.193 -9.049 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.477 -3.546 -5.582 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.847 -2.647 -4.495 1.00 0.00 C ATOM 1388 C LEU A 88 -6.263 -1.255 -4.716 1.00 0.00 C ATOM 1389 O LEU A 88 -6.894 -0.247 -4.399 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.366 -3.207 -3.156 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.525 -2.286 -1.946 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.720 -3.101 -0.676 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.320 -1.366 -1.813 1.00 0.00 C ATOM 0 H LEU A 88 -6.047 -4.420 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.934 -2.567 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.907 -4.132 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.312 -3.469 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.411 -1.670 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.831 -2.428 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.615 -3.716 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.854 -3.744 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.451 -0.718 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.418 -1.964 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.227 -0.756 -2.712 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.053 -1.208 -5.265 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.384 0.060 -5.532 1.00 0.00 C ATOM 1407 C VAL A 89 -4.999 0.763 -6.737 1.00 0.00 C ATOM 1408 O VAL A 89 -5.363 1.935 -6.664 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.878 -0.143 -5.784 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.165 1.198 -5.863 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.269 -1.016 -4.697 1.00 0.00 C ATOM 0 H VAL A 89 -4.516 -2.033 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.517 0.681 -4.646 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.752 -0.652 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.102 1.035 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.584 1.785 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.297 1.736 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.205 -1.149 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.404 -0.537 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.761 -1.988 -4.693 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.112 0.036 -7.845 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.684 0.591 -9.066 1.00 0.00 C ATOM 1423 C GLU A 90 -7.106 1.092 -8.823 1.00 0.00 C ATOM 1424 O GLU A 90 -7.574 2.011 -9.495 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.687 -0.460 -10.178 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.301 -0.783 -10.711 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.343 -1.662 -11.947 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.246 -1.462 -12.787 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.473 -2.549 -12.075 1.00 0.00 O ATOM 0 H GLU A 90 -4.815 -0.937 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.067 1.435 -9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.145 -1.375 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.310 -0.106 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.781 0.145 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.724 -1.283 -9.933 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.783 0.483 -7.858 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.152 0.864 -7.527 1.00 0.00 C ATOM 1438 C TYR A 91 -9.201 2.281 -6.962 1.00 0.00 C ATOM 1439 O TYR A 91 -9.948 3.130 -7.448 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.748 -0.119 -6.519 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.161 0.223 -6.103 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.248 -0.163 -6.879 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.411 0.932 -4.934 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.541 0.147 -6.504 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.701 1.245 -4.551 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.762 0.851 -5.338 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.047 1.163 -4.960 1.00 0.00 O ATOM 0 H TYR A 91 -7.408 -0.277 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.742 0.836 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.737 -1.120 -6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.114 -0.147 -5.633 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.079 -0.715 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.583 1.243 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.374 -0.160 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.877 1.796 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.028 1.659 -4.115 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.398 2.529 -5.933 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.349 3.842 -5.300 1.00 0.00 C ATOM 1459 C TYR A 92 -7.674 4.861 -6.211 1.00 0.00 C ATOM 1460 O TYR A 92 -7.939 6.060 -6.123 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.605 3.760 -3.966 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.326 2.945 -2.918 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.618 3.271 -2.524 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.717 1.847 -2.323 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.282 2.528 -1.566 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.373 1.098 -1.365 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.655 1.443 -0.990 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.312 0.700 -0.036 1.00 0.00 O ATOM 0 H TYR A 92 -7.772 1.838 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.373 4.168 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.619 3.327 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.448 4.769 -3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.112 4.119 -2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.713 1.574 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.286 2.796 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.885 0.247 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.845 -0.152 0.094 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.801 4.376 -7.088 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.087 5.244 -8.016 1.00 0.00 C ATOM 1480 C GLN A 93 -7.047 6.209 -8.707 1.00 0.00 C ATOM 1481 O GLN A 93 -6.653 7.298 -9.124 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.344 4.410 -9.061 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.971 3.945 -8.603 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.995 3.789 -9.752 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.270 4.210 -10.877 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.846 3.183 -9.476 1.00 0.00 N ATOM 0 H GLN A 93 -6.571 3.386 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.363 5.826 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.948 3.539 -9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.234 4.998 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.570 4.661 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.069 2.992 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.659 2.850 -8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.150 3.051 -10.210 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.304 5.800 -8.825 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.320 6.626 -9.466 1.00 0.00 C ATOM 1497 C CYS A 94 -10.450 6.954 -8.494 1.00 0.00 C ATOM 1498 O CYS A 94 -11.079 8.007 -8.589 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.882 5.917 -10.699 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.851 6.076 -12.176 1.00 0.00 S ATOM 0 H CYS A 94 -8.645 4.901 -8.485 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.850 7.559 -9.775 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.009 4.859 -10.470 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.872 6.318 -10.915 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.408 5.442 -13.165 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.701 6.042 -7.559 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.755 6.232 -6.570 1.00 0.00 C ATOM 1508 C HIS A 95 -11.176 6.725 -5.248 1.00 0.00 C ATOM 1509 O HIS A 95 -10.205 6.168 -4.738 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.520 4.926 -6.350 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.541 4.035 -7.554 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.408 2.665 -7.478 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.683 4.325 -8.868 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.466 2.151 -8.694 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.633 3.138 -9.556 1.00 0.00 N ATOM 0 H HIS A 95 -10.189 5.165 -7.466 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.443 6.987 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.070 4.387 -5.517 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.545 5.159 -6.062 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.284 2.131 -6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.812 5.308 -9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.390 1.102 -8.941 1.00 0.00 H new ATOM 1524 N SER A 96 -11.780 7.774 -4.697 1.00 0.00 N ATOM 1525 CA SER A 96 -11.322 8.346 -3.436 1.00 0.00 C ATOM 1526 C SER A 96 -11.161 7.261 -2.375 1.00 0.00 C ATOM 1527 O SER A 96 -11.725 6.173 -2.492 1.00 0.00 O ATOM 1528 CB SER A 96 -12.305 9.412 -2.947 1.00 0.00 C ATOM 1529 OG SER A 96 -11.638 10.415 -2.200 1.00 0.00 O ATOM 0 H SER A 96 -12.588 8.245 -5.105 1.00 0.00 H new ATOM 0 HA SER A 96 -10.351 8.810 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.810 9.865 -3.800 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.075 8.947 -2.331 1.00 0.00 H new ATOM 0 HG SER A 96 -12.260 10.809 -1.553 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.387 7.566 -1.339 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.150 6.618 -0.256 1.00 0.00 C ATOM 1537 C LEU A 97 -11.005 6.958 0.961 1.00 0.00 C ATOM 1538 O LEU A 97 -10.738 6.495 2.070 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.670 6.614 0.131 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.746 5.788 -0.764 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.338 6.366 -0.754 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.730 4.334 -0.316 1.00 0.00 C ATOM 0 H LEU A 97 -9.913 8.462 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.429 5.625 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.313 7.644 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.583 6.242 1.152 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.127 5.829 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.694 5.766 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.363 7.392 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.947 6.355 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.067 3.761 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.373 4.274 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.738 3.924 -0.375 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.035 7.769 0.746 1.00 0.00 N ATOM 1555 CA LYS A 98 -12.932 8.169 1.824 1.00 0.00 C ATOM 1556 C LYS A 98 -13.711 6.971 2.357 1.00 0.00 C ATOM 1557 O LYS A 98 -13.841 6.794 3.567 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.904 9.246 1.333 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.122 8.685 0.621 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.938 9.786 -0.038 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.479 10.042 -1.465 1.00 0.00 C ATOM 1562 NZ LYS A 98 -16.528 10.725 -2.271 1.00 0.00 N ATOM 0 H LYS A 98 -12.270 8.162 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.327 8.576 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.233 9.842 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.376 9.919 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.804 7.965 -0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.745 8.146 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.992 9.509 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.850 10.704 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.576 10.653 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.217 9.095 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -16.176 10.882 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.381 10.131 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.760 11.640 -1.835 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.225 6.152 1.445 1.00 0.00 N ATOM 1577 CA GLU A 99 -14.990 4.971 1.825 1.00 0.00 C ATOM 1578 C GLU A 99 -14.382 4.301 3.053 1.00 0.00 C ATOM 1579 O GLU A 99 -15.072 4.047 4.041 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.046 3.977 0.663 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.303 4.629 -0.685 1.00 0.00 C ATOM 1582 CD GLU A 99 -14.023 5.043 -1.385 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -12.946 4.545 -0.995 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -14.099 5.863 -2.324 1.00 0.00 O ATOM 0 H GLU A 99 -14.125 6.285 0.439 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.003 5.289 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.104 3.430 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.831 3.246 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.853 3.935 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.937 5.505 -0.546 1.00 0.00 H new ATOM 1591 N SER A 100 -13.086 4.015 2.983 1.00 0.00 N ATOM 1592 CA SER A 100 -12.384 3.371 4.087 1.00 0.00 C ATOM 1593 C SER A 100 -12.145 4.355 5.228 1.00 0.00 C ATOM 1594 O SER A 100 -12.552 4.116 6.365 1.00 0.00 O ATOM 1595 CB SER A 100 -11.049 2.797 3.606 1.00 0.00 C ATOM 1596 OG SER A 100 -10.199 2.501 4.699 1.00 0.00 O ATOM 0 H SER A 100 -12.501 4.219 2.173 1.00 0.00 H new ATOM 0 HA SER A 100 -13.009 2.558 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.227 1.893 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.560 3.511 2.944 1.00 0.00 H new ATOM 0 HG SER A 100 -9.306 2.867 4.527 1.00 0.00 H new ATOM 1602 N PHE A 101 -11.483 5.464 4.916 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.187 6.485 5.913 1.00 0.00 C ATOM 1604 C PHE A 101 -11.874 7.802 5.564 1.00 0.00 C ATOM 1605 O PHE A 101 -11.463 8.504 4.640 1.00 0.00 O ATOM 1606 CB PHE A 101 -9.676 6.699 6.024 1.00 0.00 C ATOM 1607 CG PHE A 101 -8.908 5.433 6.272 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -8.554 4.605 5.218 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -8.540 5.069 7.557 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -7.846 3.439 5.442 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -7.833 3.905 7.787 1.00 0.00 C ATOM 1612 CZ PHE A 101 -7.486 3.087 6.729 1.00 0.00 C ATOM 0 H PHE A 101 -11.141 5.678 3.979 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.569 6.139 6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.314 7.160 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.475 7.401 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.835 4.874 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.809 5.703 8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.574 2.804 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.551 3.634 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.935 2.175 6.907 1.00 0.00 H new ATOM 1622 N LYS A 102 -12.924 8.131 6.309 1.00 0.00 N ATOM 1623 CA LYS A 102 -13.671 9.362 6.080 1.00 0.00 C ATOM 1624 C LYS A 102 -12.771 10.582 6.249 1.00 0.00 C ATOM 1625 O LYS A 102 -13.124 11.687 5.837 1.00 0.00 O ATOM 1626 CB LYS A 102 -14.855 9.452 7.044 1.00 0.00 C ATOM 1627 CG LYS A 102 -14.485 9.176 8.491 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.511 9.755 9.450 1.00 0.00 C ATOM 1629 CE LYS A 102 -14.882 10.118 10.786 1.00 0.00 C ATOM 1630 NZ LYS A 102 -14.659 8.918 11.639 1.00 0.00 N ATOM 0 H LYS A 102 -13.277 7.561 7.078 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.045 9.346 5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -15.295 10.447 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -15.621 8.742 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.405 8.100 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.505 9.603 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.965 10.642 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.312 9.032 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.931 10.623 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.527 10.822 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.229 9.208 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.569 8.450 11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.023 8.257 11.149 1.00 0.00 H new ATOM 1644 N GLN A 103 -11.607 10.373 6.855 1.00 0.00 N ATOM 1645 CA GLN A 103 -10.656 11.458 7.077 1.00 0.00 C ATOM 1646 C GLN A 103 -9.607 11.497 5.970 1.00 0.00 C ATOM 1647 O GLN A 103 -8.703 12.334 5.987 1.00 0.00 O ATOM 1648 CB GLN A 103 -9.975 11.297 8.437 1.00 0.00 C ATOM 1649 CG GLN A 103 -10.779 11.872 9.592 1.00 0.00 C ATOM 1650 CD GLN A 103 -10.510 13.348 9.811 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -11.058 14.201 9.113 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -9.663 13.658 10.786 1.00 0.00 N ATOM 0 H GLN A 103 -11.299 9.464 7.201 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.206 12.399 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -9.796 10.238 8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.000 11.784 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.842 11.725 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.542 11.324 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.231 12.919 11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.445 14.635 10.980 1.00 0.00 H new ATOM 1661 N LEU A 104 -9.732 10.586 5.012 1.00 0.00 N ATOM 1662 CA LEU A 104 -8.793 10.517 3.897 1.00 0.00 C ATOM 1663 C LEU A 104 -9.533 10.521 2.562 1.00 0.00 C ATOM 1664 O LEU A 104 -9.714 9.475 1.938 1.00 0.00 O ATOM 1665 CB LEU A 104 -7.930 9.259 4.010 1.00 0.00 C ATOM 1666 CG LEU A 104 -6.669 9.230 3.145 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -5.504 9.878 3.877 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.326 7.801 2.749 1.00 0.00 C ATOM 0 H LEU A 104 -10.473 9.886 4.984 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.151 11.397 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.634 9.138 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.544 8.397 3.751 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.862 9.800 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.616 9.848 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.750 10.914 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.310 9.337 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.426 7.800 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.153 7.206 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.153 7.372 2.183 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.954 11.703 2.129 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.671 11.845 0.867 1.00 0.00 C ATOM 1682 C ASP A 105 -9.722 12.265 -0.252 1.00 0.00 C ATOM 1683 O ASP A 105 -9.569 13.453 -0.539 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.798 12.870 1.008 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.520 13.118 -0.301 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -13.090 12.156 -0.856 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -12.516 14.276 -0.770 1.00 0.00 O ATOM 0 H ASP A 105 -9.811 12.578 2.633 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.101 10.877 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.512 12.520 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.387 13.810 1.377 1.00 0.00 H new ATOM 1692 N THR A 106 -9.085 11.281 -0.880 1.00 0.00 N ATOM 1693 CA THR A 106 -8.150 11.548 -1.966 1.00 0.00 C ATOM 1694 C THR A 106 -7.913 10.300 -2.807 1.00 0.00 C ATOM 1695 O THR A 106 -8.352 9.205 -2.451 1.00 0.00 O ATOM 1696 CB THR A 106 -6.797 12.056 -1.430 1.00 0.00 C ATOM 1697 OG1 THR A 106 -6.026 12.615 -2.500 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.018 10.929 -0.771 1.00 0.00 C ATOM 0 H THR A 106 -9.200 10.293 -0.655 1.00 0.00 H new ATOM 0 HA THR A 106 -8.601 12.322 -2.588 1.00 0.00 H new ATOM 0 HB THR A 106 -6.992 12.825 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.169 12.937 -2.152 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.067 11.312 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.595 10.526 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.832 10.140 -1.500 1.00 0.00 H new ATOM 1706 N THR A 107 -7.215 10.468 -3.925 1.00 0.00 N ATOM 1707 CA THR A 107 -6.919 9.354 -4.818 1.00 0.00 C ATOM 1708 C THR A 107 -5.453 9.358 -5.235 1.00 0.00 C ATOM 1709 O THR A 107 -4.902 10.399 -5.595 1.00 0.00 O ATOM 1710 CB THR A 107 -7.802 9.397 -6.080 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.686 10.674 -6.715 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.257 9.128 -5.732 1.00 0.00 C ATOM 0 H THR A 107 -6.843 11.366 -4.234 1.00 0.00 H new ATOM 0 HA THR A 107 -7.133 8.439 -4.265 1.00 0.00 H new ATOM 0 HB THR A 107 -7.459 8.620 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.249 10.693 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.861 9.164 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.346 8.142 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.610 9.885 -5.032 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.827 8.187 -5.188 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.424 8.055 -5.562 1.00 0.00 C ATOM 1722 C LEU A 108 -3.098 8.927 -6.770 1.00 0.00 C ATOM 1723 O LEU A 108 -3.568 8.673 -7.879 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.092 6.593 -5.870 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.595 5.563 -4.858 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.055 4.181 -5.190 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.199 5.967 -3.445 1.00 0.00 C ATOM 0 H LEU A 108 -5.269 7.316 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.817 8.389 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.507 6.345 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.009 6.496 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.683 5.528 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.423 3.461 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.388 3.890 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.965 4.200 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.565 5.223 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.113 6.030 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.635 6.938 -3.208 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.288 9.957 -6.549 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.895 10.866 -7.618 1.00 0.00 C ATOM 1741 C LYS A 109 -0.462 10.597 -8.063 1.00 0.00 C ATOM 1742 O LYS A 109 -0.229 10.032 -9.132 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.033 12.319 -7.157 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.396 12.924 -7.447 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.649 14.160 -6.600 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.314 13.804 -5.279 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.399 14.979 -4.368 1.00 0.00 N ATOM 0 H LYS A 109 -1.891 10.183 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.558 10.696 -8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.843 12.371 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.267 12.921 -7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.462 13.186 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.172 12.184 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.705 14.670 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.281 14.857 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.316 13.418 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.752 13.007 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.867 14.782 -3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.995 15.814 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.395 15.163 -4.131 1.00 0.00 H new ATOM 1761 N TYR A 110 0.495 11.002 -7.237 1.00 0.00 N ATOM 1762 CA TYR A 110 1.907 10.804 -7.545 1.00 0.00 C ATOM 1763 C TYR A 110 2.548 9.828 -6.564 1.00 0.00 C ATOM 1764 O TYR A 110 2.170 9.745 -5.395 1.00 0.00 O ATOM 1765 CB TYR A 110 2.650 12.140 -7.512 1.00 0.00 C ATOM 1766 CG TYR A 110 1.861 13.288 -8.103 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.894 13.549 -9.467 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.081 14.107 -7.296 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.176 14.596 -10.011 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.358 15.155 -7.832 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.409 15.396 -9.189 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.309 16.439 -9.728 1.00 0.00 O ATOM 0 H TYR A 110 0.319 11.470 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 110 1.978 10.381 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.905 12.379 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.589 12.037 -8.056 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.491 12.923 -10.113 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.039 13.921 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.215 14.787 -11.073 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.244 15.782 -7.192 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.797 16.903 -9.016 1.00 0.00 H new ATOM 1782 N PRO A 111 3.543 9.071 -7.048 1.00 0.00 N ATOM 1783 CA PRO A 111 4.260 8.088 -6.231 1.00 0.00 C ATOM 1784 C PRO A 111 5.143 8.744 -5.174 1.00 0.00 C ATOM 1785 O PRO A 111 5.106 9.962 -4.990 1.00 0.00 O ATOM 1786 CB PRO A 111 5.118 7.336 -7.251 1.00 0.00 C ATOM 1787 CG PRO A 111 5.306 8.300 -8.371 1.00 0.00 C ATOM 1788 CD PRO A 111 4.046 9.117 -8.432 1.00 0.00 C ATOM 0 HA PRO A 111 3.577 7.448 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.074 7.037 -6.821 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.623 6.426 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.175 8.935 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.477 7.776 -9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.245 10.139 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.327 8.696 -9.135 1.00 0.00 H new ATOM 1796 N TYR A 112 5.935 7.932 -4.484 1.00 0.00 N ATOM 1797 CA TYR A 112 6.826 8.434 -3.445 1.00 0.00 C ATOM 1798 C TYR A 112 8.165 8.866 -4.037 1.00 0.00 C ATOM 1799 O TYR A 112 8.349 8.860 -5.254 1.00 0.00 O ATOM 1800 CB TYR A 112 7.048 7.365 -2.375 1.00 0.00 C ATOM 1801 CG TYR A 112 8.259 6.496 -2.630 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.251 5.537 -3.635 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.412 6.634 -1.866 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.354 4.740 -3.872 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.520 5.842 -2.096 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.487 4.897 -3.100 1.00 0.00 C ATOM 1807 OH TYR A 112 11.589 4.106 -3.332 1.00 0.00 O ATOM 0 H TYR A 112 5.978 6.923 -4.625 1.00 0.00 H new ATOM 0 HA TYR A 112 6.356 9.304 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.157 7.851 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.163 6.732 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.366 5.412 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.442 7.373 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.330 3.998 -4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.408 5.962 -1.493 1.00 0.00 H new ATOM 0 HH TYR A 112 12.301 4.345 -2.703 1.00 0.00 H new ATOM 1817 N SER A 113 9.097 9.237 -3.165 1.00 0.00 N ATOM 1818 CA SER A 113 10.418 9.674 -3.599 1.00 0.00 C ATOM 1819 C SER A 113 11.228 8.501 -4.144 1.00 0.00 C ATOM 1820 O SER A 113 10.713 7.393 -4.290 1.00 0.00 O ATOM 1821 CB SER A 113 11.168 10.330 -2.438 1.00 0.00 C ATOM 1822 OG SER A 113 12.230 11.141 -2.911 1.00 0.00 O ATOM 0 H SER A 113 8.961 9.244 -2.154 1.00 0.00 H new ATOM 0 HA SER A 113 10.287 10.404 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.478 10.935 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.562 9.560 -1.774 1.00 0.00 H new ATOM 0 HG SER A 113 12.693 11.550 -2.150 1.00 0.00 H new