USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 58 ASN : amide:sc= 0.954 K(o=2.8,f=0.39) USER MOD Set 1.2: A 60 HIS : no HD1:sc= 0.0138 K(o=2.8,f=1.5) USER MOD Set 1.3: A 69 THR OG1 : rot 32:sc= 1.8 USER MOD Set 2.1: A 26 THR OG1 : rot -75:sc= 2.09 USER MOD Set 2.2: A 68 TYR OH : rot 26:sc= 2.3 USER MOD Single : A 8 SER OG : rot -60:sc= 1.28 USER MOD Single : A 15 MET CE :methyl -165:sc= -0.0442 (180deg=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.0392 (180deg=-0.404) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.38) USER MOD Single : A 22 SER OG : rot 180:sc= 0.182 USER MOD Single : A 23 SER OG : rot -0:sc= 0.186 USER MOD Single : A 25 ASN : amide:sc= 1.52 K(o=1.5,f=-5.5!) USER MOD Single : A 27 ASN : amide:sc= 1.21 K(o=1.2,f=-0.018) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 75:sc= 1.29 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -77:sc= 0.874 USER MOD Single : A 37 SER OG : rot 4:sc= 0.211 USER MOD Single : A 38 THR OG1 : rot 60:sc= 0.191 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0428) USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.915 USER MOD Single : A 45 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.27) USER MOD Single : A 46 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 47 MET CE :methyl 179:sc= -0.584 (180deg=-0.605) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.185 (180deg=-0.398) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= 0.00932 (180deg=-0.0241) USER MOD Single : A 59 HIS : no HD1:sc=-0.00645 X(o=-0.0065,f=-0.41) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.042) USER MOD Single : A 71 ASN : amide:sc= 0.677 K(o=0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 8 8.100 3.356 -6.058 1.00 0.00 N ATOM 134 CA SER A 8 8.612 2.649 -7.222 1.00 0.00 C ATOM 135 C SER A 8 7.406 2.000 -7.913 1.00 0.00 C ATOM 136 O SER A 8 6.385 1.765 -7.265 1.00 0.00 O ATOM 137 CB SER A 8 9.635 1.597 -6.781 1.00 0.00 C ATOM 138 OG SER A 8 9.059 0.697 -5.853 1.00 0.00 O ATOM 0 HA SER A 8 9.121 3.323 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.997 1.048 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.498 2.088 -6.331 1.00 0.00 H new ATOM 0 HG SER A 8 8.752 1.192 -5.065 1.00 0.00 H new ATOM 144 N ASP A 9 7.502 1.680 -9.208 1.00 0.00 N ATOM 145 CA ASP A 9 6.395 1.065 -9.943 1.00 0.00 C ATOM 146 C ASP A 9 5.830 -0.159 -9.209 1.00 0.00 C ATOM 147 O ASP A 9 4.618 -0.339 -9.116 1.00 0.00 O ATOM 148 CB ASP A 9 6.837 0.691 -11.358 1.00 0.00 C ATOM 149 CG ASP A 9 5.694 0.022 -12.117 1.00 0.00 C ATOM 150 OD1 ASP A 9 4.801 0.770 -12.571 1.00 0.00 O ATOM 151 OD2 ASP A 9 5.732 -1.223 -12.216 1.00 0.00 O ATOM 0 H ASP A 9 8.339 1.838 -9.769 1.00 0.00 H new ATOM 0 HA ASP A 9 5.594 1.801 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.162 1.584 -11.892 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.693 0.018 -11.312 1.00 0.00 H new ATOM 156 N ALA A 10 6.719 -0.993 -8.667 1.00 0.00 N ATOM 157 CA ALA A 10 6.331 -2.181 -7.924 1.00 0.00 C ATOM 158 C ALA A 10 5.400 -1.822 -6.759 1.00 0.00 C ATOM 159 O ALA A 10 4.427 -2.528 -6.508 1.00 0.00 O ATOM 160 CB ALA A 10 7.590 -2.916 -7.459 1.00 0.00 C ATOM 0 H ALA A 10 7.728 -0.859 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 10 5.765 -2.850 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.305 -3.808 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.184 -3.205 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.179 -2.260 -6.818 1.00 0.00 H new ATOM 166 N GLU A 11 5.685 -0.726 -6.047 1.00 0.00 N ATOM 167 CA GLU A 11 4.810 -0.252 -4.982 1.00 0.00 C ATOM 168 C GLU A 11 3.538 0.323 -5.610 1.00 0.00 C ATOM 169 O GLU A 11 2.434 0.066 -5.132 1.00 0.00 O ATOM 170 CB GLU A 11 5.510 0.826 -4.150 1.00 0.00 C ATOM 171 CG GLU A 11 6.677 0.299 -3.311 1.00 0.00 C ATOM 172 CD GLU A 11 7.488 1.472 -2.775 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.299 1.992 -3.574 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.251 1.855 -1.609 1.00 0.00 O ATOM 0 H GLU A 11 6.517 -0.154 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 11 4.560 -1.084 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.878 1.605 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.780 1.292 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.301 -0.305 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.311 -0.349 -3.917 1.00 0.00 H new ATOM 181 N LEU A 12 3.690 1.112 -6.681 1.00 0.00 N ATOM 182 CA LEU A 12 2.569 1.730 -7.376 1.00 0.00 C ATOM 183 C LEU A 12 1.502 0.689 -7.705 1.00 0.00 C ATOM 184 O LEU A 12 0.320 0.980 -7.570 1.00 0.00 O ATOM 185 CB LEU A 12 3.030 2.467 -8.640 1.00 0.00 C ATOM 186 CG LEU A 12 1.922 3.330 -9.268 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.560 4.523 -8.375 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.403 3.829 -10.634 1.00 0.00 C ATOM 0 H LEU A 12 4.599 1.336 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 12 2.129 2.472 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.882 3.101 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.376 1.739 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 12 1.025 2.720 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.774 5.109 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.207 4.161 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.441 5.148 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.627 4.443 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.308 4.424 -10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.617 2.976 -11.278 1.00 0.00 H new ATOM 200 N GLU A 13 1.899 -0.519 -8.119 1.00 0.00 N ATOM 201 CA GLU A 13 0.947 -1.597 -8.354 1.00 0.00 C ATOM 202 C GLU A 13 0.033 -1.805 -7.140 1.00 0.00 C ATOM 203 O GLU A 13 -1.185 -1.902 -7.290 1.00 0.00 O ATOM 204 CB GLU A 13 1.696 -2.890 -8.680 1.00 0.00 C ATOM 205 CG GLU A 13 2.367 -2.845 -10.060 1.00 0.00 C ATOM 206 CD GLU A 13 1.344 -2.889 -11.191 1.00 0.00 C ATOM 207 OE1 GLU A 13 0.823 -3.997 -11.442 1.00 0.00 O ATOM 208 OE2 GLU A 13 1.085 -1.813 -11.773 1.00 0.00 O ATOM 0 H GLU A 13 2.872 -0.769 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 13 0.320 -1.320 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.453 -3.071 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.001 -3.729 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.963 -1.936 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.053 -3.686 -10.158 1.00 0.00 H new ATOM 215 N VAL A 14 0.604 -1.865 -5.932 1.00 0.00 N ATOM 216 CA VAL A 14 -0.198 -2.078 -4.736 1.00 0.00 C ATOM 217 C VAL A 14 -1.080 -0.858 -4.492 1.00 0.00 C ATOM 218 O VAL A 14 -2.257 -1.021 -4.184 1.00 0.00 O ATOM 219 CB VAL A 14 0.631 -2.535 -3.516 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.873 -3.323 -3.947 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.023 -1.451 -2.501 1.00 0.00 C ATOM 0 H VAL A 14 1.605 -1.770 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.862 -2.926 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.065 -3.177 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.434 -3.630 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.567 -4.206 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.503 -2.694 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.601 -1.900 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.624 -0.688 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.122 -0.994 -2.091 1.00 0.00 H new ATOM 231 N MET A 15 -0.542 0.357 -4.665 1.00 0.00 N ATOM 232 CA MET A 15 -1.355 1.560 -4.504 1.00 0.00 C ATOM 233 C MET A 15 -2.577 1.489 -5.420 1.00 0.00 C ATOM 234 O MET A 15 -3.709 1.673 -4.984 1.00 0.00 O ATOM 235 CB MET A 15 -0.594 2.840 -4.848 1.00 0.00 C ATOM 236 CG MET A 15 0.706 3.043 -4.092 1.00 0.00 C ATOM 237 SD MET A 15 1.364 4.716 -4.276 1.00 0.00 S ATOM 238 CE MET A 15 0.625 5.489 -2.823 1.00 0.00 C ATOM 0 H MET A 15 0.433 0.527 -4.911 1.00 0.00 H new ATOM 0 HA MET A 15 -1.642 1.596 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.378 2.839 -5.916 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.245 3.693 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.543 2.835 -3.034 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.445 2.325 -4.448 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.698 6.573 -2.911 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.424 5.200 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.154 5.161 -1.928 1.00 0.00 H new ATOM 248 N LYS A 16 -2.314 1.227 -6.700 1.00 0.00 N ATOM 249 CA LYS A 16 -3.291 1.111 -7.764 1.00 0.00 C ATOM 250 C LYS A 16 -4.363 0.105 -7.373 1.00 0.00 C ATOM 251 O LYS A 16 -5.545 0.436 -7.416 1.00 0.00 O ATOM 252 CB LYS A 16 -2.554 0.766 -9.063 1.00 0.00 C ATOM 253 CG LYS A 16 -3.449 0.859 -10.300 1.00 0.00 C ATOM 254 CD LYS A 16 -2.750 0.328 -11.563 1.00 0.00 C ATOM 255 CE LYS A 16 -1.495 1.122 -11.964 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.276 0.662 -11.271 1.00 0.00 N ATOM 0 H LYS A 16 -1.360 1.084 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.816 2.051 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.706 1.440 -9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.150 -0.244 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.364 0.293 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.742 1.897 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.472 -0.714 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.458 0.344 -12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.348 1.039 -13.041 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.654 2.178 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.303 1.484 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.541 0.133 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.271 0.044 -11.904 1.00 0.00 H new ATOM 270 N VAL A 17 -3.962 -1.106 -6.978 1.00 0.00 N ATOM 271 CA VAL A 17 -4.910 -2.121 -6.540 1.00 0.00 C ATOM 272 C VAL A 17 -5.752 -1.581 -5.377 1.00 0.00 C ATOM 273 O VAL A 17 -6.980 -1.562 -5.449 1.00 0.00 O ATOM 274 CB VAL A 17 -4.141 -3.407 -6.178 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.983 -4.391 -5.361 1.00 0.00 C ATOM 276 CG2 VAL A 17 -3.687 -4.122 -7.457 1.00 0.00 C ATOM 0 H VAL A 17 -2.986 -1.403 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.606 -2.370 -7.341 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.289 -3.097 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.390 -5.277 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.296 -3.917 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.864 -4.680 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.144 -5.030 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.559 -4.382 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.035 -3.463 -8.030 1.00 0.00 H new ATOM 286 N ILE A 18 -5.087 -1.119 -4.317 1.00 0.00 N ATOM 287 CA ILE A 18 -5.736 -0.642 -3.102 1.00 0.00 C ATOM 288 C ILE A 18 -6.752 0.463 -3.410 1.00 0.00 C ATOM 289 O ILE A 18 -7.877 0.407 -2.921 1.00 0.00 O ATOM 290 CB ILE A 18 -4.666 -0.233 -2.069 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.924 -1.494 -1.579 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.290 0.504 -0.875 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.667 -1.181 -0.767 1.00 0.00 C ATOM 0 H ILE A 18 -4.069 -1.066 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.318 -1.448 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.965 0.449 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.602 -2.092 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.649 -2.103 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.508 0.777 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.793 1.405 -1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.013 -0.147 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.195 -2.112 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.971 -0.609 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.938 -0.598 0.113 1.00 0.00 H new ATOM 305 N TRP A 19 -6.386 1.454 -4.229 1.00 0.00 N ATOM 306 CA TRP A 19 -7.268 2.562 -4.580 1.00 0.00 C ATOM 307 C TRP A 19 -8.579 2.102 -5.238 1.00 0.00 C ATOM 308 O TRP A 19 -9.536 2.874 -5.256 1.00 0.00 O ATOM 309 CB TRP A 19 -6.526 3.602 -5.444 1.00 0.00 C ATOM 310 CG TRP A 19 -5.578 4.544 -4.744 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.847 5.230 -3.608 1.00 0.00 C ATOM 312 CD2 TRP A 19 -4.252 5.002 -5.165 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.785 6.050 -3.279 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.775 5.948 -4.210 1.00 0.00 C ATOM 315 CE3 TRP A 19 -3.408 4.740 -6.267 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.526 6.576 -4.330 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -2.129 5.322 -6.367 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.681 6.234 -5.397 1.00 0.00 C ATOM 0 H TRP A 19 -5.466 1.507 -4.666 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.559 3.042 -3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.963 3.064 -6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -7.273 4.202 -5.963 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.762 5.148 -3.040 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.753 6.651 -2.456 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.751 4.079 -7.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.217 7.317 -3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.487 5.065 -7.197 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.695 6.668 -5.472 1.00 0.00 H new ATOM 329 N LYS A 20 -8.663 0.880 -5.783 1.00 0.00 N ATOM 330 CA LYS A 20 -9.924 0.395 -6.343 1.00 0.00 C ATOM 331 C LYS A 20 -10.903 -0.011 -5.234 1.00 0.00 C ATOM 332 O LYS A 20 -12.100 -0.133 -5.484 1.00 0.00 O ATOM 333 CB LYS A 20 -9.696 -0.808 -7.271 1.00 0.00 C ATOM 334 CG LYS A 20 -8.613 -0.601 -8.336 1.00 0.00 C ATOM 335 CD LYS A 20 -8.743 0.695 -9.149 1.00 0.00 C ATOM 336 CE LYS A 20 -10.054 0.753 -9.940 1.00 0.00 C ATOM 337 NZ LYS A 20 -10.124 1.974 -10.762 1.00 0.00 N ATOM 0 H LYS A 20 -7.886 0.223 -5.846 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.351 1.216 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.428 -1.672 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.635 -1.048 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.638 -0.610 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.634 -1.447 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.688 1.551 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.902 0.776 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.135 -0.125 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.899 0.725 -9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.022 1.988 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.070 2.810 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.330 1.986 -11.433 1.00 0.00 H new ATOM 351 N HIS A 21 -10.394 -0.268 -4.027 1.00 0.00 N ATOM 352 CA HIS A 21 -11.156 -0.746 -2.884 1.00 0.00 C ATOM 353 C HIS A 21 -11.448 0.411 -1.922 1.00 0.00 C ATOM 354 O HIS A 21 -10.784 1.444 -1.982 1.00 0.00 O ATOM 355 CB HIS A 21 -10.328 -1.846 -2.203 1.00 0.00 C ATOM 356 CG HIS A 21 -9.775 -2.884 -3.145 1.00 0.00 C ATOM 357 ND1 HIS A 21 -8.499 -3.418 -2.969 1.00 0.00 N ATOM 358 CD2 HIS A 21 -10.351 -3.465 -4.245 1.00 0.00 C ATOM 359 CE1 HIS A 21 -8.355 -4.291 -3.969 1.00 0.00 C ATOM 360 NE2 HIS A 21 -9.435 -4.355 -4.764 1.00 0.00 N ATOM 0 H HIS A 21 -9.404 -0.143 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.118 -1.151 -3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.500 -1.381 -1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.950 -2.343 -1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.339 -3.263 -4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.465 -4.883 -4.122 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.554 -4.945 -5.588 1.00 0.00 H new ATOM 368 N SER A 22 -12.441 0.268 -1.034 1.00 0.00 N ATOM 369 CA SER A 22 -12.739 1.293 -0.038 1.00 0.00 C ATOM 370 C SER A 22 -11.553 1.307 0.922 1.00 0.00 C ATOM 371 O SER A 22 -10.893 2.324 1.127 1.00 0.00 O ATOM 372 CB SER A 22 -14.035 0.888 0.671 1.00 0.00 C ATOM 373 OG SER A 22 -14.031 -0.518 0.876 1.00 0.00 O ATOM 0 H SER A 22 -13.049 -0.550 -0.989 1.00 0.00 H new ATOM 0 HA SER A 22 -12.879 2.287 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.120 1.407 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.898 1.179 0.072 1.00 0.00 H new ATOM 0 HG SER A 22 -14.857 -0.785 1.331 1.00 0.00 H new ATOM 379 N SER A 23 -11.307 0.170 1.568 1.00 0.00 N ATOM 380 CA SER A 23 -9.976 -0.117 2.063 1.00 0.00 C ATOM 381 C SER A 23 -9.695 -1.555 1.615 1.00 0.00 C ATOM 382 O SER A 23 -10.468 -2.086 0.822 1.00 0.00 O ATOM 383 CB SER A 23 -10.026 0.076 3.580 1.00 0.00 C ATOM 384 OG SER A 23 -10.290 1.442 3.845 1.00 0.00 O ATOM 0 H SER A 23 -12.002 -0.552 1.756 1.00 0.00 H new ATOM 0 HA SER A 23 -9.176 0.523 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.802 -0.553 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.080 -0.223 4.032 1.00 0.00 H new ATOM 0 HG SER A 23 -10.374 1.929 2.999 1.00 0.00 H new ATOM 390 N ILE A 24 -8.733 -2.261 2.208 1.00 0.00 N ATOM 391 CA ILE A 24 -8.550 -3.696 2.012 1.00 0.00 C ATOM 392 C ILE A 24 -7.844 -4.253 3.248 1.00 0.00 C ATOM 393 O ILE A 24 -7.099 -3.499 3.877 1.00 0.00 O ATOM 394 CB ILE A 24 -7.931 -4.011 0.637 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.630 -5.511 0.462 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.709 -3.140 0.350 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.487 -5.911 -1.010 1.00 0.00 C ATOM 0 H ILE A 24 -8.052 -1.847 2.845 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.499 -4.228 1.947 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.682 -3.758 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.711 -5.759 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.430 -6.095 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.303 -3.394 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.000 -2.090 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.951 -3.314 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.275 -6.978 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.414 -5.691 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.669 -5.349 -1.462 1.00 0.00 H new ATOM 409 N ASN A 25 -8.052 -5.527 3.601 1.00 0.00 N ATOM 410 CA ASN A 25 -7.355 -6.176 4.712 1.00 0.00 C ATOM 411 C ASN A 25 -6.141 -6.947 4.199 1.00 0.00 C ATOM 412 O ASN A 25 -6.110 -7.346 3.037 1.00 0.00 O ATOM 413 CB ASN A 25 -8.286 -7.108 5.492 1.00 0.00 C ATOM 414 CG ASN A 25 -8.670 -8.354 4.700 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.861 -9.258 4.493 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.916 -8.411 4.247 1.00 0.00 N ATOM 0 H ASN A 25 -8.712 -6.138 3.120 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.018 -5.395 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.799 -7.408 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.190 -6.565 5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.227 -9.221 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.563 -7.645 4.436 1.00 0.00 H new ATOM 423 N THR A 26 -5.165 -7.183 5.078 1.00 0.00 N ATOM 424 CA THR A 26 -3.930 -7.883 4.770 1.00 0.00 C ATOM 425 C THR A 26 -4.124 -9.170 3.971 1.00 0.00 C ATOM 426 O THR A 26 -3.487 -9.322 2.936 1.00 0.00 O ATOM 427 CB THR A 26 -3.166 -8.151 6.073 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.393 -7.085 6.974 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.665 -8.313 5.813 1.00 0.00 C ATOM 0 H THR A 26 -5.220 -6.881 6.051 1.00 0.00 H new ATOM 0 HA THR A 26 -3.348 -7.233 4.117 1.00 0.00 H new ATOM 0 HB THR A 26 -3.530 -9.083 6.506 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.877 -6.302 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.151 -8.502 6.755 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.501 -9.151 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.273 -7.401 5.362 1.00 0.00 H new ATOM 437 N ASN A 27 -4.974 -10.101 4.419 1.00 0.00 N ATOM 438 CA ASN A 27 -5.124 -11.369 3.709 1.00 0.00 C ATOM 439 C ASN A 27 -5.492 -11.116 2.250 1.00 0.00 C ATOM 440 O ASN A 27 -4.777 -11.541 1.344 1.00 0.00 O ATOM 441 CB ASN A 27 -6.135 -12.291 4.396 1.00 0.00 C ATOM 442 CG ASN A 27 -6.104 -13.673 3.747 1.00 0.00 C ATOM 443 OD1 ASN A 27 -5.283 -14.510 4.105 1.00 0.00 O ATOM 444 ND2 ASN A 27 -6.980 -13.937 2.784 1.00 0.00 N ATOM 0 H ASN A 27 -5.555 -10.002 5.251 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.165 -11.887 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.902 -12.373 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.136 -11.867 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.977 -14.850 2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.655 -13.227 2.500 1.00 0.00 H new ATOM 451 N GLU A 28 -6.586 -10.385 2.028 1.00 0.00 N ATOM 452 CA GLU A 28 -7.023 -10.017 0.700 1.00 0.00 C ATOM 453 C GLU A 28 -5.913 -9.294 -0.071 1.00 0.00 C ATOM 454 O GLU A 28 -5.714 -9.586 -1.247 1.00 0.00 O ATOM 455 CB GLU A 28 -8.288 -9.172 0.854 1.00 0.00 C ATOM 456 CG GLU A 28 -9.538 -10.045 1.008 1.00 0.00 C ATOM 457 CD GLU A 28 -9.502 -11.125 2.088 1.00 0.00 C ATOM 458 OE1 GLU A 28 -8.882 -12.179 1.831 1.00 0.00 O ATOM 459 OE2 GLU A 28 -10.130 -10.897 3.143 1.00 0.00 O ATOM 0 H GLU A 28 -7.189 -10.036 2.773 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.252 -10.902 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.188 -8.523 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.401 -8.525 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.385 -9.390 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.733 -10.529 0.051 1.00 0.00 H new ATOM 466 N VAL A 29 -5.191 -8.366 0.566 1.00 0.00 N ATOM 467 CA VAL A 29 -4.116 -7.635 -0.098 1.00 0.00 C ATOM 468 C VAL A 29 -3.035 -8.606 -0.593 1.00 0.00 C ATOM 469 O VAL A 29 -2.715 -8.610 -1.782 1.00 0.00 O ATOM 470 CB VAL A 29 -3.599 -6.473 0.790 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.176 -6.618 1.339 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.638 -5.154 0.013 1.00 0.00 C ATOM 0 H VAL A 29 -5.335 -8.106 1.542 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.499 -7.147 -0.994 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.275 -6.494 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.929 -5.745 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.113 -7.515 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.472 -6.697 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.273 -4.347 0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.006 -5.234 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.663 -4.941 -0.291 1.00 0.00 H new ATOM 482 N ILE A 30 -2.489 -9.446 0.295 1.00 0.00 N ATOM 483 CA ILE A 30 -1.471 -10.419 -0.065 1.00 0.00 C ATOM 484 C ILE A 30 -1.993 -11.323 -1.179 1.00 0.00 C ATOM 485 O ILE A 30 -1.299 -11.501 -2.176 1.00 0.00 O ATOM 486 CB ILE A 30 -0.979 -11.201 1.171 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.368 -10.207 2.179 1.00 0.00 C ATOM 488 CG2 ILE A 30 0.062 -12.257 0.755 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.447 -10.849 3.304 1.00 0.00 C ATOM 0 H ILE A 30 -2.746 -9.464 1.282 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.595 -9.899 -0.451 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.818 -11.719 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.273 -9.511 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.173 -9.621 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.401 -12.801 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.389 -12.954 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.912 -11.764 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.836 -10.071 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.191 -11.523 3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.277 -11.411 2.877 1.00 0.00 H new ATOM 501 N LYS A 31 -3.198 -11.882 -1.035 1.00 0.00 N ATOM 502 CA LYS A 31 -3.768 -12.747 -2.060 1.00 0.00 C ATOM 503 C LYS A 31 -3.831 -12.020 -3.409 1.00 0.00 C ATOM 504 O LYS A 31 -3.283 -12.506 -4.396 1.00 0.00 O ATOM 505 CB LYS A 31 -5.155 -13.247 -1.628 1.00 0.00 C ATOM 506 CG LYS A 31 -5.112 -14.200 -0.424 1.00 0.00 C ATOM 507 CD LYS A 31 -4.500 -15.564 -0.766 1.00 0.00 C ATOM 508 CE LYS A 31 -4.576 -16.487 0.456 1.00 0.00 C ATOM 509 NZ LYS A 31 -3.952 -17.793 0.183 1.00 0.00 N ATOM 0 H LYS A 31 -3.794 -11.748 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.121 -13.616 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.781 -12.390 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.628 -13.756 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.535 -13.739 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.124 -14.346 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.032 -16.012 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.462 -15.440 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.078 -16.014 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.618 -16.632 0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.020 -18.394 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.444 -18.254 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.951 -17.655 -0.064 1.00 0.00 H new ATOM 523 N GLU A 32 -4.483 -10.854 -3.448 1.00 0.00 N ATOM 524 CA GLU A 32 -4.648 -10.061 -4.656 1.00 0.00 C ATOM 525 C GLU A 32 -3.296 -9.784 -5.318 1.00 0.00 C ATOM 526 O GLU A 32 -3.114 -10.052 -6.509 1.00 0.00 O ATOM 527 CB GLU A 32 -5.387 -8.762 -4.301 1.00 0.00 C ATOM 528 CG GLU A 32 -5.714 -7.898 -5.525 1.00 0.00 C ATOM 529 CD GLU A 32 -6.728 -8.560 -6.452 1.00 0.00 C ATOM 530 OE1 GLU A 32 -7.936 -8.387 -6.182 1.00 0.00 O ATOM 531 OE2 GLU A 32 -6.277 -9.228 -7.408 1.00 0.00 O ATOM 0 H GLU A 32 -4.915 -10.434 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.243 -10.616 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.313 -9.009 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.777 -8.183 -3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.104 -6.936 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.797 -7.696 -6.079 1.00 0.00 H new ATOM 538 N LEU A 33 -2.341 -9.238 -4.558 1.00 0.00 N ATOM 539 CA LEU A 33 -1.038 -8.950 -5.131 1.00 0.00 C ATOM 540 C LEU A 33 -0.369 -10.237 -5.599 1.00 0.00 C ATOM 541 O LEU A 33 0.118 -10.266 -6.719 1.00 0.00 O ATOM 542 CB LEU A 33 -0.137 -8.120 -4.206 1.00 0.00 C ATOM 543 CG LEU A 33 -0.353 -6.593 -4.282 1.00 0.00 C ATOM 544 CD1 LEU A 33 -0.332 -6.051 -5.719 1.00 0.00 C ATOM 545 CD2 LEU A 33 -1.636 -6.146 -3.575 1.00 0.00 C ATOM 0 H LEU A 33 -2.447 -8.995 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.201 -8.316 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.300 -8.444 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.904 -8.337 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 33 0.499 -6.165 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.489 -4.973 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.633 -6.270 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.124 -6.525 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.739 -5.064 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.495 -6.630 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.588 -6.426 -2.523 1.00 0.00 H new ATOM 557 N SER A 34 -0.378 -11.310 -4.806 1.00 0.00 N ATOM 558 CA SER A 34 0.226 -12.573 -5.221 1.00 0.00 C ATOM 559 C SER A 34 -0.362 -13.059 -6.550 1.00 0.00 C ATOM 560 O SER A 34 0.370 -13.521 -7.420 1.00 0.00 O ATOM 561 CB SER A 34 0.060 -13.642 -4.137 1.00 0.00 C ATOM 562 OG SER A 34 0.658 -13.225 -2.926 1.00 0.00 O ATOM 0 H SER A 34 -0.796 -11.328 -3.876 1.00 0.00 H new ATOM 0 HA SER A 34 1.292 -12.396 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.999 -13.841 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.513 -14.576 -4.469 1.00 0.00 H new ATOM 0 HG SER A 34 0.095 -12.545 -2.500 1.00 0.00 H new ATOM 568 N LYS A 35 -1.685 -12.966 -6.709 1.00 0.00 N ATOM 569 CA LYS A 35 -2.356 -13.388 -7.931 1.00 0.00 C ATOM 570 C LYS A 35 -1.917 -12.531 -9.121 1.00 0.00 C ATOM 571 O LYS A 35 -1.585 -13.061 -10.179 1.00 0.00 O ATOM 572 CB LYS A 35 -3.876 -13.297 -7.740 1.00 0.00 C ATOM 573 CG LYS A 35 -4.389 -14.384 -6.786 1.00 0.00 C ATOM 574 CD LYS A 35 -5.826 -14.067 -6.356 1.00 0.00 C ATOM 575 CE LYS A 35 -6.349 -15.139 -5.396 1.00 0.00 C ATOM 576 NZ LYS A 35 -7.696 -14.803 -4.901 1.00 0.00 N ATOM 0 H LYS A 35 -2.314 -12.597 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.080 -14.421 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.136 -12.314 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.372 -13.396 -8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.353 -15.357 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.743 -14.445 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.860 -13.090 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.470 -14.011 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.376 -16.103 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.665 -15.241 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.023 -15.548 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.664 -13.894 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.353 -14.730 -5.704 1.00 0.00 H new ATOM 590 N THR A 36 -1.933 -11.207 -8.961 1.00 0.00 N ATOM 591 CA THR A 36 -1.612 -10.287 -10.049 1.00 0.00 C ATOM 592 C THR A 36 -0.111 -10.247 -10.375 1.00 0.00 C ATOM 593 O THR A 36 0.274 -10.019 -11.520 1.00 0.00 O ATOM 594 CB THR A 36 -2.197 -8.902 -9.740 1.00 0.00 C ATOM 595 OG1 THR A 36 -1.844 -8.480 -8.440 1.00 0.00 O ATOM 596 CG2 THR A 36 -3.727 -8.936 -9.826 1.00 0.00 C ATOM 0 H THR A 36 -2.167 -10.747 -8.081 1.00 0.00 H new ATOM 0 HA THR A 36 -2.079 -10.658 -10.961 1.00 0.00 H new ATOM 0 HB THR A 36 -1.790 -8.208 -10.476 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.405 -8.942 -7.782 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.126 -7.946 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.028 -9.232 -10.831 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.116 -9.654 -9.104 1.00 0.00 H new ATOM 604 N SER A 37 0.754 -10.390 -9.374 1.00 0.00 N ATOM 605 CA SER A 37 2.203 -10.435 -9.501 1.00 0.00 C ATOM 606 C SER A 37 2.743 -11.369 -8.417 1.00 0.00 C ATOM 607 O SER A 37 2.757 -11.006 -7.244 1.00 0.00 O ATOM 608 CB SER A 37 2.768 -9.018 -9.390 1.00 0.00 C ATOM 609 OG SER A 37 2.337 -8.254 -10.502 1.00 0.00 O ATOM 0 H SER A 37 0.445 -10.482 -8.406 1.00 0.00 H new ATOM 0 HA SER A 37 2.509 -10.823 -10.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.434 -8.552 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.857 -9.050 -9.356 1.00 0.00 H new ATOM 0 HG SER A 37 1.725 -8.789 -11.049 1.00 0.00 H new ATOM 615 N THR A 38 3.204 -12.560 -8.802 1.00 0.00 N ATOM 616 CA THR A 38 3.656 -13.602 -7.892 1.00 0.00 C ATOM 617 C THR A 38 4.949 -13.240 -7.153 1.00 0.00 C ATOM 618 O THR A 38 6.001 -13.814 -7.434 1.00 0.00 O ATOM 619 CB THR A 38 3.809 -14.898 -8.700 1.00 0.00 C ATOM 620 OG1 THR A 38 4.651 -14.639 -9.804 1.00 0.00 O ATOM 621 CG2 THR A 38 2.461 -15.410 -9.217 1.00 0.00 C ATOM 0 H THR A 38 3.273 -12.829 -9.783 1.00 0.00 H new ATOM 0 HA THR A 38 2.912 -13.729 -7.105 1.00 0.00 H new ATOM 0 HB THR A 38 4.231 -15.662 -8.047 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.524 -14.329 -9.484 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.614 -16.329 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.800 -15.609 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.009 -14.657 -9.862 1.00 0.00 H new ATOM 629 N TRP A 39 4.870 -12.295 -6.216 1.00 0.00 N ATOM 630 CA TRP A 39 5.954 -11.904 -5.337 1.00 0.00 C ATOM 631 C TRP A 39 5.796 -12.655 -4.012 1.00 0.00 C ATOM 632 O TRP A 39 4.694 -13.067 -3.653 1.00 0.00 O ATOM 633 CB TRP A 39 5.880 -10.396 -5.087 1.00 0.00 C ATOM 634 CG TRP A 39 5.992 -9.491 -6.277 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.896 -9.616 -7.274 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.244 -8.271 -6.574 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.762 -8.573 -8.167 1.00 0.00 N ATOM 638 CE2 TRP A 39 5.768 -7.702 -7.772 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.185 -7.576 -5.948 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.274 -6.506 -8.314 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.689 -6.370 -6.477 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.233 -5.835 -7.656 1.00 0.00 C ATOM 0 H TRP A 39 4.014 -11.766 -6.048 1.00 0.00 H new ATOM 0 HA TRP A 39 6.916 -12.145 -5.789 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.933 -10.183 -4.591 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.673 -10.132 -4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.617 -10.415 -7.359 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.325 -8.461 -9.010 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.748 -7.978 -5.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.690 -6.107 -9.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.886 -5.853 -5.973 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.850 -4.908 -8.056 1.00 0.00 H new ATOM 653 N SER A 40 6.891 -12.836 -3.269 1.00 0.00 N ATOM 654 CA SER A 40 6.823 -13.476 -1.960 1.00 0.00 C ATOM 655 C SER A 40 6.015 -12.571 -1.017 1.00 0.00 C ATOM 656 O SER A 40 6.150 -11.353 -1.136 1.00 0.00 O ATOM 657 CB SER A 40 8.246 -13.668 -1.415 1.00 0.00 C ATOM 658 OG SER A 40 8.214 -14.252 -0.127 1.00 0.00 O ATOM 0 H SER A 40 7.828 -12.549 -3.552 1.00 0.00 H new ATOM 0 HA SER A 40 6.340 -14.450 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.818 -14.302 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.757 -12.706 -1.371 1.00 0.00 H new ATOM 0 HG SER A 40 9.130 -14.368 0.202 1.00 0.00 H new ATOM 664 N PRO A 41 5.219 -13.106 -0.073 1.00 0.00 N ATOM 665 CA PRO A 41 4.492 -12.311 0.911 1.00 0.00 C ATOM 666 C PRO A 41 5.361 -11.226 1.558 1.00 0.00 C ATOM 667 O PRO A 41 4.898 -10.108 1.779 1.00 0.00 O ATOM 668 CB PRO A 41 3.975 -13.319 1.939 1.00 0.00 C ATOM 669 CG PRO A 41 3.732 -14.558 1.079 1.00 0.00 C ATOM 670 CD PRO A 41 4.894 -14.516 0.086 1.00 0.00 C ATOM 0 HA PRO A 41 3.679 -11.756 0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.704 -13.507 2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.062 -12.974 2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.742 -15.471 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.767 -14.517 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.751 -15.076 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.612 -14.964 -0.867 1.00 0.00 H new ATOM 678 N LYS A 42 6.632 -11.547 1.834 1.00 0.00 N ATOM 679 CA LYS A 42 7.602 -10.613 2.393 1.00 0.00 C ATOM 680 C LYS A 42 7.643 -9.322 1.569 1.00 0.00 C ATOM 681 O LYS A 42 7.722 -8.227 2.123 1.00 0.00 O ATOM 682 CB LYS A 42 8.975 -11.302 2.463 1.00 0.00 C ATOM 683 CG LYS A 42 10.056 -10.456 3.156 1.00 0.00 C ATOM 684 CD LYS A 42 10.879 -9.615 2.165 1.00 0.00 C ATOM 685 CE LYS A 42 11.862 -8.689 2.892 1.00 0.00 C ATOM 686 NZ LYS A 42 12.864 -9.440 3.670 1.00 0.00 N ATOM 0 H LYS A 42 7.015 -12.478 1.671 1.00 0.00 H new ATOM 0 HA LYS A 42 7.309 -10.329 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.870 -12.248 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.305 -11.539 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.584 -9.795 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.725 -11.113 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.429 -10.276 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.207 -9.020 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.370 -8.057 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.309 -8.027 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.566 -8.780 4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.393 -9.944 4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.341 -10.126 3.051 1.00 0.00 H new ATOM 700 N THR A 43 7.589 -9.447 0.241 1.00 0.00 N ATOM 701 CA THR A 43 7.580 -8.322 -0.680 1.00 0.00 C ATOM 702 C THR A 43 6.401 -7.413 -0.337 1.00 0.00 C ATOM 703 O THR A 43 6.569 -6.209 -0.149 1.00 0.00 O ATOM 704 CB THR A 43 7.462 -8.837 -2.126 1.00 0.00 C ATOM 705 OG1 THR A 43 8.207 -10.026 -2.292 1.00 0.00 O ATOM 706 CG2 THR A 43 7.927 -7.802 -3.150 1.00 0.00 C ATOM 0 H THR A 43 7.550 -10.352 -0.227 1.00 0.00 H new ATOM 0 HA THR A 43 8.508 -7.757 -0.590 1.00 0.00 H new ATOM 0 HB THR A 43 6.405 -9.035 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.660 -10.795 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.824 -8.212 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.317 -6.903 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.972 -7.551 -2.965 1.00 0.00 H new ATOM 714 N ILE A 44 5.211 -8.009 -0.220 1.00 0.00 N ATOM 715 CA ILE A 44 3.993 -7.275 0.077 1.00 0.00 C ATOM 716 C ILE A 44 4.153 -6.580 1.425 1.00 0.00 C ATOM 717 O ILE A 44 3.895 -5.386 1.542 1.00 0.00 O ATOM 718 CB ILE A 44 2.757 -8.192 0.048 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.736 -9.151 -1.156 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.490 -7.323 0.071 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.940 -8.464 -2.506 1.00 0.00 C ATOM 0 H ILE A 44 5.072 -9.014 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 44 3.829 -6.522 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 44 2.799 -8.828 0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.514 -9.902 -1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.782 -9.679 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.609 -7.964 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.479 -6.720 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.482 -6.668 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.912 -9.209 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.148 -7.733 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.906 -7.960 -2.515 1.00 0.00 H new ATOM 733 N GLN A 45 4.611 -7.319 2.438 1.00 0.00 N ATOM 734 CA GLN A 45 4.849 -6.766 3.760 1.00 0.00 C ATOM 735 C GLN A 45 5.802 -5.568 3.679 1.00 0.00 C ATOM 736 O GLN A 45 5.557 -4.549 4.319 1.00 0.00 O ATOM 737 CB GLN A 45 5.360 -7.861 4.697 1.00 0.00 C ATOM 738 CG GLN A 45 4.250 -8.881 4.990 1.00 0.00 C ATOM 739 CD GLN A 45 3.141 -8.311 5.871 1.00 0.00 C ATOM 740 OE1 GLN A 45 2.014 -8.120 5.428 1.00 0.00 O ATOM 741 NE2 GLN A 45 3.448 -8.037 7.136 1.00 0.00 N ATOM 0 H GLN A 45 4.825 -8.313 2.359 1.00 0.00 H new ATOM 0 HA GLN A 45 3.912 -6.393 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.214 -8.365 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.709 -7.416 5.629 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.820 -9.224 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.684 -9.753 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.394 -8.205 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.738 -7.659 7.763 1.00 0.00 H new ATOM 750 N THR A 46 6.867 -5.669 2.880 1.00 0.00 N ATOM 751 CA THR A 46 7.820 -4.580 2.697 1.00 0.00 C ATOM 752 C THR A 46 7.122 -3.361 2.079 1.00 0.00 C ATOM 753 O THR A 46 7.255 -2.248 2.586 1.00 0.00 O ATOM 754 CB THR A 46 9.020 -5.054 1.859 1.00 0.00 C ATOM 755 OG1 THR A 46 9.585 -6.214 2.439 1.00 0.00 O ATOM 756 CG2 THR A 46 10.115 -3.986 1.795 1.00 0.00 C ATOM 0 H THR A 46 7.090 -6.508 2.344 1.00 0.00 H new ATOM 0 HA THR A 46 8.208 -4.272 3.668 1.00 0.00 H new ATOM 0 HB THR A 46 8.651 -5.259 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.985 -6.976 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.948 -4.354 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.713 -3.080 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.465 -3.763 2.803 1.00 0.00 H new ATOM 764 N MET A 47 6.381 -3.557 0.983 1.00 0.00 N ATOM 765 CA MET A 47 5.641 -2.489 0.322 1.00 0.00 C ATOM 766 C MET A 47 4.692 -1.809 1.315 1.00 0.00 C ATOM 767 O MET A 47 4.712 -0.589 1.468 1.00 0.00 O ATOM 768 CB MET A 47 4.883 -3.071 -0.877 1.00 0.00 C ATOM 769 CG MET A 47 5.860 -3.569 -1.946 1.00 0.00 C ATOM 770 SD MET A 47 5.094 -4.513 -3.285 1.00 0.00 S ATOM 771 CE MET A 47 6.438 -4.448 -4.483 1.00 0.00 C ATOM 0 H MET A 47 6.281 -4.466 0.532 1.00 0.00 H new ATOM 0 HA MET A 47 6.331 -1.728 -0.042 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.247 -3.893 -0.547 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.227 -2.311 -1.302 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.378 -2.711 -2.374 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.616 -4.191 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.153 -4.999 -5.379 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.642 -3.410 -4.745 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.333 -4.896 -4.051 1.00 0.00 H new ATOM 781 N LEU A 48 3.869 -2.601 2.005 1.00 0.00 N ATOM 782 CA LEU A 48 2.955 -2.086 3.014 1.00 0.00 C ATOM 783 C LEU A 48 3.740 -1.274 4.042 1.00 0.00 C ATOM 784 O LEU A 48 3.399 -0.126 4.314 1.00 0.00 O ATOM 785 CB LEU A 48 2.215 -3.239 3.703 1.00 0.00 C ATOM 786 CG LEU A 48 1.222 -3.974 2.791 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.784 -5.255 3.508 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.006 -3.099 2.464 1.00 0.00 C ATOM 0 H LEU A 48 3.821 -3.612 1.878 1.00 0.00 H new ATOM 0 HA LEU A 48 2.217 -1.444 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.947 -3.954 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.679 -2.848 4.568 1.00 0.00 H new ATOM 0 HG LEU A 48 1.705 -4.212 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.077 -5.799 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.655 -5.881 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.308 -4.998 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.676 -3.651 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.508 -2.830 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.336 -2.193 1.955 1.00 0.00 H new ATOM 800 N LEU A 49 4.801 -1.861 4.600 1.00 0.00 N ATOM 801 CA LEU A 49 5.629 -1.210 5.599 1.00 0.00 C ATOM 802 C LEU A 49 6.125 0.146 5.091 1.00 0.00 C ATOM 803 O LEU A 49 6.039 1.127 5.823 1.00 0.00 O ATOM 804 CB LEU A 49 6.769 -2.144 6.026 1.00 0.00 C ATOM 805 CG LEU A 49 7.660 -1.547 7.130 1.00 0.00 C ATOM 806 CD1 LEU A 49 8.106 -2.662 8.080 1.00 0.00 C ATOM 807 CD2 LEU A 49 8.908 -0.866 6.547 1.00 0.00 C ATOM 0 H LEU A 49 5.105 -2.806 4.366 1.00 0.00 H new ATOM 0 HA LEU A 49 5.033 -1.005 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.347 -3.085 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.385 -2.376 5.157 1.00 0.00 H new ATOM 0 HG LEU A 49 7.075 -0.796 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.737 -2.242 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.230 -3.128 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.669 -3.411 7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.511 -0.457 7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.495 -1.597 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.604 -0.060 5.879 1.00 0.00 H new ATOM 819 N ARG A 50 6.637 0.214 3.856 1.00 0.00 N ATOM 820 CA ARG A 50 7.085 1.463 3.246 1.00 0.00 C ATOM 821 C ARG A 50 5.957 2.497 3.291 1.00 0.00 C ATOM 822 O ARG A 50 6.100 3.557 3.901 1.00 0.00 O ATOM 823 CB ARG A 50 7.542 1.211 1.798 1.00 0.00 C ATOM 824 CG ARG A 50 9.010 0.782 1.711 1.00 0.00 C ATOM 825 CD ARG A 50 9.960 1.991 1.722 1.00 0.00 C ATOM 826 NE ARG A 50 9.842 2.809 0.500 1.00 0.00 N ATOM 827 CZ ARG A 50 10.386 2.502 -0.689 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.053 1.355 -0.847 1.00 0.00 N ATOM 829 NH2 ARG A 50 10.270 3.331 -1.731 1.00 0.00 N ATOM 0 H ARG A 50 6.751 -0.601 3.253 1.00 0.00 H new ATOM 0 HA ARG A 50 7.934 1.854 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.915 0.439 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.397 2.118 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.247 0.126 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.167 0.205 0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.746 2.610 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.987 1.642 1.825 1.00 0.00 H new ATOM 0 HE ARG A 50 9.306 3.674 0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.150 0.709 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.465 1.125 -1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.763 4.210 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.688 3.084 -2.628 1.00 0.00 H new ATOM 843 N LEU A 51 4.836 2.196 2.634 1.00 0.00 N ATOM 844 CA LEU A 51 3.675 3.057 2.577 1.00 0.00 C ATOM 845 C LEU A 51 3.189 3.483 3.968 1.00 0.00 C ATOM 846 O LEU A 51 2.759 4.622 4.140 1.00 0.00 O ATOM 847 CB LEU A 51 2.606 2.327 1.760 1.00 0.00 C ATOM 848 CG LEU A 51 2.851 2.500 0.253 1.00 0.00 C ATOM 849 CD1 LEU A 51 4.275 2.271 -0.258 1.00 0.00 C ATOM 850 CD2 LEU A 51 1.873 1.638 -0.553 1.00 0.00 C ATOM 0 H LEU A 51 4.717 1.324 2.118 1.00 0.00 H new ATOM 0 HA LEU A 51 3.927 3.998 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.610 1.267 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.620 2.712 2.018 1.00 0.00 H new ATOM 0 HG LEU A 51 2.679 3.565 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.304 2.426 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.953 2.973 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.584 1.251 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.061 1.773 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.011 0.589 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.850 1.938 -0.324 1.00 0.00 H new ATOM 862 N ILE A 52 3.238 2.600 4.964 1.00 0.00 N ATOM 863 CA ILE A 52 2.859 2.950 6.325 1.00 0.00 C ATOM 864 C ILE A 52 3.882 3.934 6.902 1.00 0.00 C ATOM 865 O ILE A 52 3.516 5.013 7.362 1.00 0.00 O ATOM 866 CB ILE A 52 2.704 1.671 7.165 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.495 0.880 6.634 1.00 0.00 C ATOM 868 CG2 ILE A 52 2.509 2.008 8.652 1.00 0.00 C ATOM 869 CD1 ILE A 52 1.476 -0.566 7.135 1.00 0.00 C ATOM 0 H ILE A 52 3.539 1.632 4.849 1.00 0.00 H new ATOM 0 HA ILE A 52 1.892 3.453 6.339 1.00 0.00 H new ATOM 0 HB ILE A 52 3.610 1.071 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.575 1.379 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.513 0.884 5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.402 1.086 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.374 2.562 9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.612 2.616 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.603 -1.079 6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.381 -1.077 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.430 -0.573 8.224 1.00 0.00 H new ATOM 881 N LYS A 53 5.166 3.575 6.860 1.00 0.00 N ATOM 882 CA LYS A 53 6.262 4.374 7.389 1.00 0.00 C ATOM 883 C LYS A 53 6.243 5.797 6.824 1.00 0.00 C ATOM 884 O LYS A 53 6.436 6.756 7.575 1.00 0.00 O ATOM 885 CB LYS A 53 7.589 3.652 7.112 1.00 0.00 C ATOM 886 CG LYS A 53 8.788 4.367 7.753 1.00 0.00 C ATOM 887 CD LYS A 53 10.061 3.508 7.689 1.00 0.00 C ATOM 888 CE LYS A 53 10.305 2.694 8.969 1.00 0.00 C ATOM 889 NZ LYS A 53 9.185 1.794 9.292 1.00 0.00 N ATOM 0 H LYS A 53 5.476 2.696 6.445 1.00 0.00 H new ATOM 0 HA LYS A 53 6.145 4.480 8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.531 2.632 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.744 3.582 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.962 5.315 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.559 4.602 8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.990 2.827 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.920 4.155 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.216 2.107 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.470 3.376 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.493 1.096 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.393 2.349 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.877 1.301 8.430 1.00 0.00 H new ATOM 903 N LYS A 54 6.012 5.933 5.515 1.00 0.00 N ATOM 904 CA LYS A 54 5.941 7.205 4.820 1.00 0.00 C ATOM 905 C LYS A 54 4.617 7.945 5.061 1.00 0.00 C ATOM 906 O LYS A 54 4.432 9.039 4.534 1.00 0.00 O ATOM 907 CB LYS A 54 6.109 6.913 3.325 1.00 0.00 C ATOM 908 CG LYS A 54 7.531 6.457 2.971 1.00 0.00 C ATOM 909 CD LYS A 54 7.736 6.370 1.451 1.00 0.00 C ATOM 910 CE LYS A 54 6.855 5.285 0.817 1.00 0.00 C ATOM 911 NZ LYS A 54 7.161 5.082 -0.610 1.00 0.00 N ATOM 0 H LYS A 54 5.866 5.133 4.899 1.00 0.00 H new ATOM 0 HA LYS A 54 6.727 7.858 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.399 6.142 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.865 7.809 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.253 7.153 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.724 5.483 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.507 7.335 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.784 6.158 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.995 4.347 1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.806 5.561 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.148 4.065 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.449 5.569 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.103 5.469 -0.821 1.00 0.00 H new ATOM 925 N GLY A 55 3.675 7.372 5.819 1.00 0.00 N ATOM 926 CA GLY A 55 2.375 7.986 6.052 1.00 0.00 C ATOM 927 C GLY A 55 1.567 8.089 4.756 1.00 0.00 C ATOM 928 O GLY A 55 0.757 9.001 4.594 1.00 0.00 O ATOM 0 H GLY A 55 3.798 6.473 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.819 7.399 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.511 8.980 6.478 1.00 0.00 H new ATOM 932 N ALA A 56 1.803 7.157 3.828 1.00 0.00 N ATOM 933 CA ALA A 56 1.092 7.060 2.567 1.00 0.00 C ATOM 934 C ALA A 56 -0.233 6.341 2.839 1.00 0.00 C ATOM 935 O ALA A 56 -1.304 6.799 2.449 1.00 0.00 O ATOM 936 CB ALA A 56 1.945 6.298 1.541 1.00 0.00 C ATOM 0 H ALA A 56 2.514 6.435 3.944 1.00 0.00 H new ATOM 0 HA ALA A 56 0.894 8.048 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.404 6.230 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.884 6.828 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.153 5.295 1.914 1.00 0.00 H new ATOM 942 N LEU A 57 -0.162 5.196 3.519 1.00 0.00 N ATOM 943 CA LEU A 57 -1.329 4.409 3.894 1.00 0.00 C ATOM 944 C LEU A 57 -1.430 4.403 5.414 1.00 0.00 C ATOM 945 O LEU A 57 -0.476 4.021 6.087 1.00 0.00 O ATOM 946 CB LEU A 57 -1.186 2.967 3.380 1.00 0.00 C ATOM 947 CG LEU A 57 -1.741 2.721 1.966 1.00 0.00 C ATOM 948 CD1 LEU A 57 -1.286 3.738 0.910 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.338 1.310 1.530 1.00 0.00 C ATOM 0 H LEU A 57 0.720 4.787 3.827 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.226 4.844 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.130 2.697 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.694 2.298 4.075 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.823 2.838 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.727 3.484 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.608 4.737 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.199 3.717 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.722 1.115 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.251 1.227 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.753 0.581 2.226 1.00 0.00 H new ATOM 961 N ASN A 58 -2.578 4.809 5.955 1.00 0.00 N ATOM 962 CA ASN A 58 -2.852 4.671 7.380 1.00 0.00 C ATOM 963 C ASN A 58 -3.509 3.299 7.512 1.00 0.00 C ATOM 964 O ASN A 58 -4.101 2.834 6.538 1.00 0.00 O ATOM 965 CB ASN A 58 -3.796 5.785 7.853 1.00 0.00 C ATOM 966 CG ASN A 58 -4.354 5.463 9.238 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.720 5.751 10.245 1.00 0.00 O ATOM 968 ND2 ASN A 58 -5.512 4.811 9.305 1.00 0.00 N ATOM 0 H ASN A 58 -3.335 5.238 5.423 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.953 4.753 7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.261 6.735 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.615 5.902 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.892 4.539 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.020 4.584 8.450 1.00 0.00 H new ATOM 975 N HIS A 59 -3.398 2.622 8.657 1.00 0.00 N ATOM 976 CA HIS A 59 -4.053 1.334 8.836 1.00 0.00 C ATOM 977 C HIS A 59 -4.742 1.226 10.185 1.00 0.00 C ATOM 978 O HIS A 59 -4.440 1.979 11.111 1.00 0.00 O ATOM 979 CB HIS A 59 -3.096 0.164 8.606 1.00 0.00 C ATOM 980 CG HIS A 59 -2.076 0.001 9.697 1.00 0.00 C ATOM 981 ND1 HIS A 59 -2.333 -0.787 10.818 1.00 0.00 N ATOM 982 CD2 HIS A 59 -0.814 0.518 9.794 1.00 0.00 C ATOM 983 CE1 HIS A 59 -1.220 -0.704 11.553 1.00 0.00 C ATOM 984 NE2 HIS A 59 -0.278 0.064 10.982 1.00 0.00 N ATOM 0 H HIS A 59 -2.865 2.944 9.465 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.827 1.274 8.071 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.674 -0.756 8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.581 0.308 7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.328 1.161 9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.092 -1.201 12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.649 0.271 11.353 1.00 0.00 H new ATOM 992 N HIS A 60 -5.692 0.296 10.253 1.00 0.00 N ATOM 993 CA HIS A 60 -6.453 -0.039 11.447 1.00 0.00 C ATOM 994 C HIS A 60 -6.290 -1.540 11.683 1.00 0.00 C ATOM 995 O HIS A 60 -6.499 -2.328 10.763 1.00 0.00 O ATOM 996 CB HIS A 60 -7.925 0.344 11.255 1.00 0.00 C ATOM 997 CG HIS A 60 -8.153 1.820 11.040 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.100 2.281 10.125 1.00 0.00 N ATOM 999 CD2 HIS A 60 -7.565 2.901 11.645 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -9.048 3.612 10.216 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -8.148 4.035 11.117 1.00 0.00 N ATOM 0 H HIS A 60 -5.961 -0.265 9.444 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.091 0.512 12.315 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.323 -0.203 10.400 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.490 0.023 12.130 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.789 2.871 12.396 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.664 4.276 9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.937 5.002 11.363 1.00 0.00 H new ATOM 1009 N LYS A 61 -5.923 -1.948 12.900 1.00 0.00 N ATOM 1010 CA LYS A 61 -5.664 -3.346 13.222 1.00 0.00 C ATOM 1011 C LYS A 61 -6.967 -4.083 13.551 1.00 0.00 C ATOM 1012 O LYS A 61 -7.464 -4.028 14.676 1.00 0.00 O ATOM 1013 CB LYS A 61 -4.605 -3.461 14.335 1.00 0.00 C ATOM 1014 CG LYS A 61 -4.832 -2.563 15.562 1.00 0.00 C ATOM 1015 CD LYS A 61 -3.816 -2.920 16.656 1.00 0.00 C ATOM 1016 CE LYS A 61 -4.049 -2.115 17.941 1.00 0.00 C ATOM 1017 NZ LYS A 61 -3.860 -0.668 17.732 1.00 0.00 N ATOM 0 H LYS A 61 -5.798 -1.314 13.689 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.247 -3.840 12.345 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.565 -4.498 14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.630 -3.225 13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.727 -1.515 15.282 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.847 -2.693 15.938 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.882 -3.985 16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.807 -2.733 16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.060 -2.299 18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.364 -2.462 18.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.944 -0.172 18.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.917 -0.496 17.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.586 -0.314 17.077 1.00 0.00 H new ATOM 1031 N GLU A 62 -7.516 -4.811 12.576 1.00 0.00 N ATOM 1032 CA GLU A 62 -8.736 -5.573 12.763 1.00 0.00 C ATOM 1033 C GLU A 62 -8.336 -6.935 13.333 1.00 0.00 C ATOM 1034 O GLU A 62 -8.336 -7.959 12.645 1.00 0.00 O ATOM 1035 CB GLU A 62 -9.471 -5.669 11.418 1.00 0.00 C ATOM 1036 CG GLU A 62 -10.905 -6.177 11.581 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.817 -5.138 12.227 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -12.190 -4.187 11.508 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.116 -5.312 13.428 1.00 0.00 O ATOM 0 H GLU A 62 -7.122 -4.884 11.638 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.426 -5.100 13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.486 -4.688 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.924 -6.337 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.304 -6.451 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.901 -7.082 12.189 1.00 0.00 H new ATOM 1046 N GLY A 63 -8.034 -6.923 14.633 1.00 0.00 N ATOM 1047 CA GLY A 63 -7.659 -8.084 15.425 1.00 0.00 C ATOM 1048 C GLY A 63 -6.401 -8.789 14.911 1.00 0.00 C ATOM 1049 O GLY A 63 -5.331 -8.657 15.497 1.00 0.00 O ATOM 0 H GLY A 63 -8.046 -6.063 15.182 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.497 -7.774 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.487 -8.793 15.432 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.549 -9.561 13.832 1.00 0.00 N ATOM 1054 CA ARG A 64 -5.493 -10.361 13.226 1.00 0.00 C ATOM 1055 C ARG A 64 -4.908 -9.682 11.987 1.00 0.00 C ATOM 1056 O ARG A 64 -3.694 -9.691 11.799 1.00 0.00 O ATOM 1057 CB ARG A 64 -6.051 -11.746 12.892 1.00 0.00 C ATOM 1058 CG ARG A 64 -4.961 -12.666 12.326 1.00 0.00 C ATOM 1059 CD ARG A 64 -5.456 -14.113 12.329 1.00 0.00 C ATOM 1060 NE ARG A 64 -4.464 -15.024 11.742 1.00 0.00 N ATOM 1061 CZ ARG A 64 -3.376 -15.499 12.367 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -3.100 -15.135 13.624 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -2.563 -16.342 11.722 1.00 0.00 N ATOM 0 H ARG A 64 -7.440 -9.646 13.343 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.673 -10.463 13.937 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.478 -12.194 13.789 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.860 -11.649 12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.705 -12.361 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.053 -12.581 12.923 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.674 -14.422 13.351 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.389 -14.180 11.769 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.615 -15.320 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.719 -14.491 14.116 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.270 -15.502 14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.772 -16.619 10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.733 -16.708 12.189 1.00 0.00 H new ATOM 1077 N VAL A 65 -5.766 -9.129 11.127 1.00 0.00 N ATOM 1078 CA VAL A 65 -5.356 -8.477 9.888 1.00 0.00 C ATOM 1079 C VAL A 65 -5.456 -6.967 10.076 1.00 0.00 C ATOM 1080 O VAL A 65 -6.220 -6.502 10.919 1.00 0.00 O ATOM 1081 CB VAL A 65 -6.208 -8.975 8.705 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -5.941 -10.462 8.440 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -7.713 -8.757 8.916 1.00 0.00 C ATOM 0 H VAL A 65 -6.775 -9.123 11.276 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.322 -8.730 9.653 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.910 -8.381 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.551 -10.797 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.887 -10.606 8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.195 -11.041 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.259 -9.128 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.037 -9.295 9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.912 -7.693 9.042 1.00 0.00 H new ATOM 1093 N PHE A 66 -4.689 -6.192 9.309 1.00 0.00 N ATOM 1094 CA PHE A 66 -4.706 -4.741 9.381 1.00 0.00 C ATOM 1095 C PHE A 66 -5.269 -4.192 8.069 1.00 0.00 C ATOM 1096 O PHE A 66 -4.837 -4.573 6.982 1.00 0.00 O ATOM 1097 CB PHE A 66 -3.359 -4.156 9.852 1.00 0.00 C ATOM 1098 CG PHE A 66 -2.058 -4.570 9.175 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -1.622 -5.911 9.208 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -1.128 -3.570 8.827 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -0.353 -6.262 8.715 1.00 0.00 C ATOM 1102 CE2 PHE A 66 0.163 -3.914 8.387 1.00 0.00 C ATOM 1103 CZ PHE A 66 0.536 -5.263 8.287 1.00 0.00 C ATOM 0 H PHE A 66 -4.036 -6.561 8.618 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.381 -4.401 10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.433 -3.072 9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.259 -4.390 10.912 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.268 -6.674 9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.409 -2.530 8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.062 -7.301 8.665 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.868 -3.139 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.501 -5.531 7.883 1.00 0.00 H new ATOM 1113 N VAL A 67 -6.310 -3.366 8.192 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.054 -2.762 7.101 1.00 0.00 C ATOM 1115 C VAL A 67 -6.343 -1.482 6.684 1.00 0.00 C ATOM 1116 O VAL A 67 -6.053 -0.661 7.551 1.00 0.00 O ATOM 1117 CB VAL A 67 -8.499 -2.500 7.563 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.311 -1.771 6.486 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.202 -3.821 7.902 1.00 0.00 C ATOM 0 H VAL A 67 -6.670 -3.090 9.106 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.099 -3.424 6.236 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.443 -1.869 8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.326 -1.603 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.842 -0.813 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.344 -2.378 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.222 -3.617 8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.223 -4.459 7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.661 -4.326 8.702 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.076 -1.304 5.384 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.347 -0.148 4.866 1.00 0.00 C ATOM 1131 C TYR A 68 -6.289 0.925 4.331 1.00 0.00 C ATOM 1132 O TYR A 68 -7.017 0.685 3.371 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.416 -0.589 3.731 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.512 -1.733 4.116 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.527 -1.536 5.098 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.792 -3.030 3.653 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -1.900 -2.642 5.693 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.146 -4.128 4.233 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.275 -3.943 5.315 1.00 0.00 C ATOM 1140 OH TYR A 68 -1.800 -5.032 5.980 1.00 0.00 O ATOM 0 H TYR A 68 -6.363 -1.964 4.661 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.775 0.273 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.017 -0.883 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.806 0.259 3.420 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.252 -0.535 5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.502 -3.179 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.132 -2.494 6.438 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.319 -5.121 3.845 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.568 -4.779 6.898 1.00 0.00 H new ATOM 1150 N THR A 69 -6.208 2.122 4.909 1.00 0.00 N ATOM 1151 CA THR A 69 -6.943 3.314 4.527 1.00 0.00 C ATOM 1152 C THR A 69 -5.948 4.260 3.835 1.00 0.00 C ATOM 1153 O THR A 69 -5.061 4.785 4.517 1.00 0.00 O ATOM 1154 CB THR A 69 -7.512 3.968 5.796 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.497 4.098 6.772 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.643 3.134 6.401 1.00 0.00 C ATOM 0 H THR A 69 -5.590 2.290 5.703 1.00 0.00 H new ATOM 0 HA THR A 69 -7.768 3.083 3.854 1.00 0.00 H new ATOM 0 HB THR A 69 -7.900 4.945 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.633 4.233 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.020 3.628 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.450 3.034 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.266 2.146 6.663 1.00 0.00 H new ATOM 1164 N PRO A 70 -6.033 4.465 2.511 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.140 5.364 1.793 1.00 0.00 C ATOM 1166 C PRO A 70 -5.166 6.779 2.376 1.00 0.00 C ATOM 1167 O PRO A 70 -6.224 7.400 2.440 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.624 5.356 0.338 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.281 3.985 0.208 1.00 0.00 C ATOM 1170 CD PRO A 70 -6.916 3.780 1.582 1.00 0.00 C ATOM 0 HA PRO A 70 -4.105 5.033 1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.330 6.163 0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.799 5.477 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.026 3.968 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.552 3.208 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.924 4.194 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.999 2.721 1.824 1.00 0.00 H new ATOM 1178 N ASN A 71 -4.009 7.293 2.801 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.890 8.656 3.311 1.00 0.00 C ATOM 1180 C ASN A 71 -3.788 9.640 2.147 1.00 0.00 C ATOM 1181 O ASN A 71 -4.132 10.813 2.282 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.644 8.779 4.184 1.00 0.00 C ATOM 1183 CG ASN A 71 -2.819 9.806 5.298 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -2.496 9.538 6.450 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -3.327 10.996 4.980 1.00 0.00 N ATOM 0 H ASN A 71 -3.131 6.774 2.800 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.774 8.886 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.412 7.808 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.794 9.061 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.454 11.706 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.589 11.197 4.015 1.00 0.00 H new ATOM 1192 N ILE A 72 -3.249 9.144 1.033 1.00 0.00 N ATOM 1193 CA ILE A 72 -3.025 9.824 -0.231 1.00 0.00 C ATOM 1194 C ILE A 72 -3.944 9.234 -1.305 1.00 0.00 C ATOM 1195 O ILE A 72 -4.207 8.031 -1.338 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.549 9.695 -0.671 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.825 8.444 -0.151 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.721 10.885 -0.168 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -1.412 7.081 -0.525 1.00 0.00 C ATOM 0 H ILE A 72 -2.934 8.175 0.995 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.252 10.882 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.613 9.644 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.204 8.477 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.785 8.506 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.314 10.771 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.128 11.810 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.760 10.921 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.800 6.290 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.429 7.005 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.425 6.976 -1.610 1.00 0.00 H new