USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 965 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 48 ASN : amide:sc= 1.28 K(o=0.56,f=-1.6) USER MOD Set 1.2: A 50 SER OG : rot -65:sc= 0.699 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -1.42 X(o=0.56,f=0.66) USER MOD Single : A 17 LYS NZ :NH3+ -125:sc= -0.0916 (180deg=-0.463) USER MOD Single : A 25 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.9!) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.063 F(o=-0.66,f=-0.063) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0585 K(o=-0.058,f=-0.92) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 47 THR OG1 : rot 24:sc= 0.097 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 59 CYS SG : rot 140:sc= -0.327 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -121:sc= -0.662 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.00056) USER MOD Single : A 72 GLN : amide:sc= 0.0189 K(o=0.019,f=-1) USER MOD Single : A 75 SER OG : rot 180:sc= -0.351 USER MOD Single : A 77 ASN : amide:sc=-0.00644 K(o=-0.0064,f=-0.97) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.401 K(o=0.4,f=-1.1) USER MOD Single : A 95 ASN :FLIP amide:sc= -2.53! C(o=-5!,f=-2.5!) USER MOD Single : A 97 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 43:sc= 0.119 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 115 SER OG : rot 38:sc= 0.607 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 123 ASN : amide:sc=-0.00432 X(o=-0.0043,f=-0.075) USER MOD Single : A 124 ASN : amide:sc= -4.98! C(o=-5!,f=-6.5!) USER MOD Single : A 129 SER OG : rot -89:sc= 0.783 USER MOD Single : A 131 GLN : amide:sc= 0.839 K(o=0.84,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 -0.153 -13.939 8.479 1.00 0.00 N ATOM 133 CA ILE A 13 0.949 -13.041 8.158 1.00 0.00 C ATOM 134 C ILE A 13 0.816 -11.718 8.904 1.00 0.00 C ATOM 135 O ILE A 13 -0.140 -10.965 8.717 1.00 0.00 O ATOM 136 CB ILE A 13 1.023 -12.759 6.645 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.068 -14.072 5.861 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.240 -11.903 6.325 1.00 0.00 C ATOM 139 CD1 ILE A 13 0.478 -13.966 4.472 1.00 0.00 C ATOM 0 HA ILE A 13 1.865 -13.542 8.472 1.00 0.00 H new ATOM 0 HB ILE A 13 0.129 -12.211 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.103 -14.404 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.529 -14.838 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.279 -11.712 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.169 -10.956 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.145 -12.427 6.633 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.543 -14.933 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.567 -13.664 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.032 -13.224 3.897 1.00 0.00 H new ATOM 151 N PRO A 14 1.797 -11.425 9.770 1.00 0.00 N ATOM 152 CA PRO A 14 1.813 -10.191 10.561 1.00 0.00 C ATOM 153 C PRO A 14 2.069 -8.956 9.704 1.00 0.00 C ATOM 154 O PRO A 14 2.642 -9.051 8.618 1.00 0.00 O ATOM 155 CB PRO A 14 2.970 -10.412 11.539 1.00 0.00 C ATOM 156 CG PRO A 14 3.866 -11.383 10.853 1.00 0.00 C ATOM 157 CD PRO A 14 2.967 -12.277 10.044 1.00 0.00 C ATOM 0 HA PRO A 14 0.855 -10.006 11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.489 -9.478 11.755 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.614 -10.806 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.582 -10.868 10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.442 -11.960 11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.450 -12.605 9.123 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.690 -13.175 10.597 1.00 0.00 H new ATOM 165 N ASP A 15 1.641 -7.800 10.198 1.00 0.00 N ATOM 166 CA ASP A 15 1.825 -6.546 9.477 1.00 0.00 C ATOM 167 C ASP A 15 3.305 -6.273 9.231 1.00 0.00 C ATOM 168 O ASP A 15 4.173 -6.928 9.809 1.00 0.00 O ATOM 169 CB ASP A 15 1.203 -5.388 10.258 1.00 0.00 C ATOM 170 CG ASP A 15 2.031 -4.992 11.465 1.00 0.00 C ATOM 171 OD1 ASP A 15 3.231 -4.693 11.289 1.00 0.00 O ATOM 172 OD2 ASP A 15 1.479 -4.981 12.585 1.00 0.00 O ATOM 0 H ASP A 15 1.164 -7.705 11.095 1.00 0.00 H new ATOM 0 HA ASP A 15 1.325 -6.633 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.092 -4.527 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.202 -5.670 10.585 1.00 0.00 H new ATOM 177 N LEU A 16 3.587 -5.303 8.368 1.00 0.00 N ATOM 178 CA LEU A 16 4.963 -4.943 8.044 1.00 0.00 C ATOM 179 C LEU A 16 5.111 -3.432 7.899 1.00 0.00 C ATOM 180 O LEU A 16 4.403 -2.800 7.115 1.00 0.00 O ATOM 181 CB LEU A 16 5.402 -5.636 6.753 1.00 0.00 C ATOM 182 CG LEU A 16 6.906 -5.855 6.586 1.00 0.00 C ATOM 183 CD1 LEU A 16 7.175 -7.094 5.747 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.556 -4.631 5.957 1.00 0.00 C ATOM 0 H LEU A 16 2.881 -4.752 7.880 1.00 0.00 H new ATOM 0 HA LEU A 16 5.601 -5.275 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.906 -6.605 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.045 -5.046 5.908 1.00 0.00 H new ATOM 0 HG LEU A 16 7.344 -6.008 7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.251 -7.234 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.743 -7.966 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.724 -6.971 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.626 -4.804 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.114 -4.447 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.394 -3.764 6.597 1.00 0.00 H new ATOM 196 N LYS A 17 6.038 -2.858 8.658 1.00 0.00 N ATOM 197 CA LYS A 17 6.283 -1.421 8.612 1.00 0.00 C ATOM 198 C LYS A 17 7.045 -1.039 7.347 1.00 0.00 C ATOM 199 O LYS A 17 8.040 -1.673 6.994 1.00 0.00 O ATOM 200 CB LYS A 17 7.070 -0.978 9.847 1.00 0.00 C ATOM 201 CG LYS A 17 7.331 0.518 9.898 1.00 0.00 C ATOM 202 CD LYS A 17 8.116 0.905 11.140 1.00 0.00 C ATOM 203 CE LYS A 17 7.242 0.868 12.385 1.00 0.00 C ATOM 204 NZ LYS A 17 6.138 1.865 12.318 1.00 0.00 N ATOM 0 H LYS A 17 6.632 -3.366 9.313 1.00 0.00 H new ATOM 0 HA LYS A 17 5.319 -0.913 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.522 -1.273 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.024 -1.506 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.882 0.823 9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.382 1.054 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.959 0.226 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.529 1.906 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.822 -0.131 12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.855 1.064 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.173 2.479 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.245 2.444 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.224 1.370 12.290 1.00 0.00 H new ATOM 218 N VAL A 18 6.573 0.002 6.669 1.00 0.00 N ATOM 219 CA VAL A 18 7.211 0.470 5.444 1.00 0.00 C ATOM 220 C VAL A 18 7.663 1.920 5.580 1.00 0.00 C ATOM 221 O VAL A 18 8.747 2.289 5.129 1.00 0.00 O ATOM 222 CB VAL A 18 6.264 0.350 4.236 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.825 -1.094 4.043 1.00 0.00 C ATOM 224 CG2 VAL A 18 5.059 1.262 4.411 1.00 0.00 C ATOM 0 H VAL A 18 5.751 0.538 6.947 1.00 0.00 H new ATOM 0 HA VAL A 18 8.081 -0.165 5.278 1.00 0.00 H new ATOM 0 HB VAL A 18 6.803 0.664 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.156 -1.159 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.700 -1.720 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.304 -1.438 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.400 1.164 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.518 0.980 5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.394 2.296 4.496 1.00 0.00 H new ATOM 234 N PHE A 19 6.823 2.740 6.204 1.00 0.00 N ATOM 235 CA PHE A 19 7.135 4.151 6.399 1.00 0.00 C ATOM 236 C PHE A 19 6.813 4.587 7.825 1.00 0.00 C ATOM 237 O PHE A 19 5.718 4.336 8.329 1.00 0.00 O ATOM 238 CB PHE A 19 6.355 5.010 5.402 1.00 0.00 C ATOM 239 CG PHE A 19 6.579 6.484 5.577 1.00 0.00 C ATOM 240 CD1 PHE A 19 5.853 7.202 6.514 1.00 0.00 C ATOM 241 CD2 PHE A 19 7.516 7.153 4.806 1.00 0.00 C ATOM 242 CE1 PHE A 19 6.057 8.559 6.677 1.00 0.00 C ATOM 243 CE2 PHE A 19 7.725 8.510 4.965 1.00 0.00 C ATOM 244 CZ PHE A 19 6.995 9.214 5.903 1.00 0.00 C ATOM 0 H PHE A 19 5.921 2.451 6.583 1.00 0.00 H new ATOM 0 HA PHE A 19 8.203 4.288 6.228 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.639 4.725 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.291 4.797 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.120 6.695 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.090 6.607 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.483 9.107 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.458 9.019 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.157 10.274 6.031 1.00 0.00 H new ATOM 254 N GLU A 20 7.774 5.242 8.469 1.00 0.00 N ATOM 255 CA GLU A 20 7.592 5.712 9.838 1.00 0.00 C ATOM 256 C GLU A 20 8.228 7.085 10.030 1.00 0.00 C ATOM 257 O GLU A 20 9.452 7.213 10.084 1.00 0.00 O ATOM 258 CB GLU A 20 8.197 4.714 10.828 1.00 0.00 C ATOM 259 CG GLU A 20 8.002 5.106 12.283 1.00 0.00 C ATOM 260 CD GLU A 20 8.944 6.211 12.721 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.172 6.039 12.570 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.453 7.248 13.214 1.00 0.00 O ATOM 0 H GLU A 20 8.685 5.459 8.066 1.00 0.00 H new ATOM 0 HA GLU A 20 6.522 5.797 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.750 3.734 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.264 4.617 10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.972 5.431 12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.156 4.231 12.915 1.00 0.00 H new ATOM 269 N ARG A 21 7.389 8.111 10.132 1.00 0.00 N ATOM 270 CA ARG A 21 7.868 9.475 10.317 1.00 0.00 C ATOM 271 C ARG A 21 7.066 10.191 11.400 1.00 0.00 C ATOM 272 O ARG A 21 5.837 10.230 11.352 1.00 0.00 O ATOM 273 CB ARG A 21 7.777 10.252 9.002 1.00 0.00 C ATOM 274 CG ARG A 21 8.197 11.708 9.125 1.00 0.00 C ATOM 275 CD ARG A 21 8.334 12.365 7.760 1.00 0.00 C ATOM 276 NE ARG A 21 9.631 12.091 7.148 1.00 0.00 N ATOM 277 CZ ARG A 21 10.785 12.513 7.652 1.00 0.00 C ATOM 278 NH1 ARG A 21 10.803 13.223 8.771 1.00 0.00 N ATOM 279 NH2 ARG A 21 11.925 12.223 7.037 1.00 0.00 N ATOM 0 H ARG A 21 6.374 8.023 10.090 1.00 0.00 H new ATOM 0 HA ARG A 21 8.910 9.428 10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.405 9.763 8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.752 10.208 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.462 12.251 9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.146 11.770 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.541 12.006 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.201 13.442 7.861 1.00 0.00 H new ATOM 0 HE ARG A 21 9.652 11.546 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.929 13.447 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.691 13.546 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.915 11.676 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.811 12.548 7.425 1.00 0.00 H new ATOM 293 N GLU A 22 7.772 10.756 12.375 1.00 0.00 N ATOM 294 CA GLU A 22 7.125 11.469 13.470 1.00 0.00 C ATOM 295 C GLU A 22 5.877 12.199 12.982 1.00 0.00 C ATOM 296 O GLU A 22 5.968 13.216 12.296 1.00 0.00 O ATOM 297 CB GLU A 22 8.097 12.466 14.104 1.00 0.00 C ATOM 298 CG GLU A 22 8.501 13.597 13.174 1.00 0.00 C ATOM 299 CD GLU A 22 9.770 14.296 13.621 1.00 0.00 C ATOM 300 OE1 GLU A 22 10.653 13.618 14.188 1.00 0.00 O ATOM 301 OE2 GLU A 22 9.881 15.521 13.404 1.00 0.00 O ATOM 0 H GLU A 22 8.790 10.734 12.429 1.00 0.00 H new ATOM 0 HA GLU A 22 6.827 10.737 14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.639 12.888 14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.992 11.934 14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.644 13.202 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.691 14.324 13.119 1.00 0.00 H new ATOM 308 N GLY A 23 4.711 11.671 13.341 1.00 0.00 N ATOM 309 CA GLY A 23 3.461 12.284 12.931 1.00 0.00 C ATOM 310 C GLY A 23 2.704 11.440 11.925 1.00 0.00 C ATOM 311 O GLY A 23 1.499 11.226 12.064 1.00 0.00 O ATOM 0 H GLY A 23 4.610 10.830 13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.835 12.447 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.665 13.264 12.499 1.00 0.00 H new ATOM 315 N VAL A 24 3.411 10.959 10.907 1.00 0.00 N ATOM 316 CA VAL A 24 2.798 10.134 9.872 1.00 0.00 C ATOM 317 C VAL A 24 3.445 8.755 9.814 1.00 0.00 C ATOM 318 O VAL A 24 4.669 8.634 9.792 1.00 0.00 O ATOM 319 CB VAL A 24 2.906 10.798 8.487 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.269 9.919 7.422 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.264 12.177 8.506 1.00 0.00 C ATOM 0 H VAL A 24 4.409 11.126 10.777 1.00 0.00 H new ATOM 0 HA VAL A 24 1.745 10.028 10.134 1.00 0.00 H new ATOM 0 HB VAL A 24 3.961 10.917 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.355 10.405 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.778 8.956 7.393 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.216 9.765 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.349 12.632 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.211 12.085 8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.771 12.804 9.240 1.00 0.00 H new ATOM 331 N GLN A 25 2.614 7.718 9.789 1.00 0.00 N ATOM 332 CA GLN A 25 3.106 6.346 9.734 1.00 0.00 C ATOM 333 C GLN A 25 2.362 5.544 8.672 1.00 0.00 C ATOM 334 O GLN A 25 1.240 5.884 8.294 1.00 0.00 O ATOM 335 CB GLN A 25 2.954 5.672 11.099 1.00 0.00 C ATOM 336 CG GLN A 25 4.143 5.890 12.021 1.00 0.00 C ATOM 337 CD GLN A 25 3.776 5.763 13.486 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.629 5.988 13.873 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.751 5.400 14.311 1.00 0.00 N ATOM 0 H GLN A 25 1.598 7.801 9.806 1.00 0.00 H new ATOM 0 HA GLN A 25 4.162 6.376 9.467 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.054 6.051 11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.810 4.602 10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.921 5.166 11.781 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.562 6.880 11.840 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.687 5.223 13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.564 5.298 15.308 1.00 0.00 H new ATOM 348 N LEU A 26 2.993 4.477 8.194 1.00 0.00 N ATOM 349 CA LEU A 26 2.391 3.625 7.174 1.00 0.00 C ATOM 350 C LEU A 26 2.638 2.151 7.480 1.00 0.00 C ATOM 351 O LEU A 26 3.772 1.738 7.717 1.00 0.00 O ATOM 352 CB LEU A 26 2.954 3.972 5.794 1.00 0.00 C ATOM 353 CG LEU A 26 2.018 3.736 4.609 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.862 4.724 4.636 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.781 3.841 3.297 1.00 0.00 C ATOM 0 H LEU A 26 3.921 4.181 8.496 1.00 0.00 H new ATOM 0 HA LEU A 26 1.316 3.802 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.247 5.022 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.861 3.389 5.637 1.00 0.00 H new ATOM 0 HG LEU A 26 1.610 2.729 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.206 4.540 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.299 4.600 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.251 5.741 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.098 3.670 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.219 4.835 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.573 3.093 3.276 1.00 0.00 H new ATOM 367 N ASN A 27 1.568 1.363 7.471 1.00 0.00 N ATOM 368 CA ASN A 27 1.669 -0.066 7.747 1.00 0.00 C ATOM 369 C ASN A 27 1.235 -0.885 6.535 1.00 0.00 C ATOM 370 O ASN A 27 0.363 -0.469 5.771 1.00 0.00 O ATOM 371 CB ASN A 27 0.812 -0.434 8.960 1.00 0.00 C ATOM 372 CG ASN A 27 1.239 0.304 10.214 1.00 0.00 C ATOM 373 OD1 ASN A 27 0.975 1.605 10.253 1.00 0.00 O flip ATOM 374 ND2 ASN A 27 1.798 -0.289 11.137 1.00 0.00 N flip ATOM 0 H ASN A 27 0.621 1.689 7.276 1.00 0.00 H new ATOM 0 HA ASN A 27 2.712 -0.297 7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.232 -0.207 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.876 -1.508 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.981 -1.290 11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.078 0.221 11.975 1.00 0.00 H new ATOM 381 N LEU A 28 1.848 -2.052 6.367 1.00 0.00 N ATOM 382 CA LEU A 28 1.524 -2.931 5.249 1.00 0.00 C ATOM 383 C LEU A 28 0.869 -4.218 5.740 1.00 0.00 C ATOM 384 O LEU A 28 1.395 -4.897 6.621 1.00 0.00 O ATOM 385 CB LEU A 28 2.788 -3.261 4.452 1.00 0.00 C ATOM 386 CG LEU A 28 2.583 -3.577 2.970 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.923 -3.747 2.270 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.731 -4.827 2.804 1.00 0.00 C ATOM 0 H LEU A 28 2.571 -2.411 6.990 1.00 0.00 H new ATOM 0 HA LEU A 28 0.818 -2.410 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.474 -2.418 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.277 -4.115 4.921 1.00 0.00 H new ATOM 0 HG LEU A 28 2.059 -2.740 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.757 -3.971 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.499 -2.826 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.474 -4.566 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.595 -5.037 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.228 -5.672 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.758 -4.669 3.270 1.00 0.00 H new ATOM 400 N SER A 29 -0.282 -4.547 5.162 1.00 0.00 N ATOM 401 CA SER A 29 -1.011 -5.752 5.542 1.00 0.00 C ATOM 402 C SER A 29 -1.257 -6.644 4.329 1.00 0.00 C ATOM 403 O SER A 29 -1.755 -6.187 3.299 1.00 0.00 O ATOM 404 CB SER A 29 -2.344 -5.382 6.196 1.00 0.00 C ATOM 405 OG SER A 29 -2.806 -6.425 7.036 1.00 0.00 O ATOM 0 H SER A 29 -0.730 -3.996 4.429 1.00 0.00 H new ATOM 0 HA SER A 29 -0.403 -6.304 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.226 -4.468 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.086 -5.176 5.425 1.00 0.00 H new ATOM 0 HG SER A 29 -3.658 -6.164 7.443 1.00 0.00 H new ATOM 411 N PHE A 30 -0.903 -7.918 4.458 1.00 0.00 N ATOM 412 CA PHE A 30 -1.084 -8.875 3.372 1.00 0.00 C ATOM 413 C PHE A 30 -2.224 -9.840 3.683 1.00 0.00 C ATOM 414 O PHE A 30 -2.404 -10.259 4.827 1.00 0.00 O ATOM 415 CB PHE A 30 0.210 -9.657 3.132 1.00 0.00 C ATOM 416 CG PHE A 30 1.425 -8.782 3.014 1.00 0.00 C ATOM 417 CD1 PHE A 30 2.099 -8.354 4.146 1.00 0.00 C ATOM 418 CD2 PHE A 30 1.893 -8.388 1.771 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.218 -7.549 4.041 1.00 0.00 C ATOM 420 CE2 PHE A 30 3.011 -7.584 1.660 1.00 0.00 C ATOM 421 CZ PHE A 30 3.674 -7.163 2.796 1.00 0.00 C ATOM 0 H PHE A 30 -0.489 -8.312 5.303 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.337 -8.319 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.357 -10.361 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.106 -10.246 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.746 -8.653 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.378 -8.713 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.735 -7.222 4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.366 -7.285 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.547 -6.533 2.711 1.00 0.00 H new ATOM 431 N ILE A 31 -2.992 -10.189 2.656 1.00 0.00 N ATOM 432 CA ILE A 31 -4.115 -11.105 2.818 1.00 0.00 C ATOM 433 C ILE A 31 -4.139 -12.147 1.706 1.00 0.00 C ATOM 434 O ILE A 31 -3.914 -11.829 0.538 1.00 0.00 O ATOM 435 CB ILE A 31 -5.458 -10.352 2.829 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.565 -9.474 4.078 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.617 -11.336 2.766 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.938 -8.108 3.912 1.00 0.00 C ATOM 0 H ILE A 31 -2.857 -9.851 1.703 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.979 -11.604 3.778 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.505 -9.709 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.617 -9.353 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.087 -9.985 4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.560 -10.789 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.546 -11.923 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.576 -12.002 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.051 -7.541 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.878 -8.220 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.432 -7.577 3.098 1.00 0.00 H new ATOM 450 N ARG A 32 -4.414 -13.394 2.076 1.00 0.00 N ATOM 451 CA ARG A 32 -4.468 -14.484 1.110 1.00 0.00 C ATOM 452 C ARG A 32 -5.758 -15.285 1.266 1.00 0.00 C ATOM 453 O ARG A 32 -5.898 -16.114 2.165 1.00 0.00 O ATOM 454 CB ARG A 32 -3.259 -15.405 1.280 1.00 0.00 C ATOM 455 CG ARG A 32 -1.927 -14.674 1.245 1.00 0.00 C ATOM 456 CD ARG A 32 -0.788 -15.610 0.872 1.00 0.00 C ATOM 457 NE ARG A 32 -0.204 -16.256 2.045 1.00 0.00 N ATOM 458 CZ ARG A 32 -0.688 -17.368 2.588 1.00 0.00 C ATOM 459 NH1 ARG A 32 -1.758 -17.953 2.067 1.00 0.00 N ATOM 460 NH2 ARG A 32 -0.102 -17.896 3.655 1.00 0.00 N ATOM 0 H ARG A 32 -4.603 -13.674 3.038 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.448 -14.051 0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.348 -15.936 2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.272 -16.157 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.978 -13.857 0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.729 -14.229 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.155 -16.371 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.016 -15.049 0.345 1.00 0.00 H new ATOM 0 HE ARG A 32 0.620 -15.830 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.212 -17.549 1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.127 -18.807 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.721 -17.448 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.474 -18.750 4.071 1.00 0.00 H new ATOM 474 N PRO A 33 -6.723 -15.033 0.369 1.00 0.00 N ATOM 475 CA PRO A 33 -8.018 -15.721 0.386 1.00 0.00 C ATOM 476 C PRO A 33 -7.900 -17.189 -0.007 1.00 0.00 C ATOM 477 O PRO A 33 -7.049 -17.575 -0.808 1.00 0.00 O ATOM 478 CB PRO A 33 -8.840 -14.953 -0.652 1.00 0.00 C ATOM 479 CG PRO A 33 -7.831 -14.365 -1.576 1.00 0.00 C ATOM 480 CD PRO A 33 -6.625 -14.059 -0.730 1.00 0.00 C ATOM 0 HA PRO A 33 -8.463 -15.729 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.525 -15.615 -1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.446 -14.178 -0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.580 -15.062 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.215 -13.462 -2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.699 -14.179 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.643 -13.034 -0.361 1.00 0.00 H new ATOM 488 N PRO A 34 -8.774 -18.029 0.568 1.00 0.00 N ATOM 489 CA PRO A 34 -8.788 -19.468 0.291 1.00 0.00 C ATOM 490 C PRO A 34 -9.267 -19.782 -1.122 1.00 0.00 C ATOM 491 O PRO A 34 -8.719 -20.657 -1.792 1.00 0.00 O ATOM 492 CB PRO A 34 -9.774 -20.018 1.325 1.00 0.00 C ATOM 493 CG PRO A 34 -10.668 -18.870 1.643 1.00 0.00 C ATOM 494 CD PRO A 34 -9.815 -17.637 1.533 1.00 0.00 C ATOM 0 HA PRO A 34 -7.792 -19.906 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.338 -20.860 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.256 -20.375 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.508 -18.826 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.086 -18.967 2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.389 -16.781 1.179 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.386 -17.357 2.495 1.00 0.00 H new ATOM 502 N GLU A 35 -10.291 -19.062 -1.568 1.00 0.00 N ATOM 503 CA GLU A 35 -10.843 -19.265 -2.903 1.00 0.00 C ATOM 504 C GLU A 35 -9.790 -18.994 -3.974 1.00 0.00 C ATOM 505 O GLU A 35 -9.695 -19.719 -4.963 1.00 0.00 O ATOM 506 CB GLU A 35 -12.055 -18.358 -3.121 1.00 0.00 C ATOM 507 CG GLU A 35 -11.732 -16.876 -3.022 1.00 0.00 C ATOM 508 CD GLU A 35 -12.971 -16.019 -2.848 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.612 -15.688 -3.867 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.299 -15.681 -1.691 1.00 0.00 O ATOM 0 H GLU A 35 -10.755 -18.334 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.158 -20.305 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.480 -18.564 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.820 -18.605 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.059 -16.710 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.201 -16.563 -3.921 1.00 0.00 H new ATOM 517 N ASN A 36 -9.003 -17.943 -3.768 1.00 0.00 N ATOM 518 CA ASN A 36 -7.958 -17.574 -4.716 1.00 0.00 C ATOM 519 C ASN A 36 -6.602 -17.480 -4.023 1.00 0.00 C ATOM 520 O ASN A 36 -6.219 -16.436 -3.495 1.00 0.00 O ATOM 521 CB ASN A 36 -8.295 -16.240 -5.385 1.00 0.00 C ATOM 522 CG ASN A 36 -9.136 -16.415 -6.635 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.715 -17.477 -6.862 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.206 -15.371 -7.452 1.00 0.00 N ATOM 0 H ASN A 36 -9.069 -17.332 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.903 -18.351 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.829 -15.607 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.371 -15.722 -5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.757 -15.430 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.709 -14.510 -7.223 1.00 0.00 H new ATOM 531 N PRO A 37 -5.859 -18.596 -4.023 1.00 0.00 N ATOM 532 CA PRO A 37 -4.534 -18.665 -3.399 1.00 0.00 C ATOM 533 C PRO A 37 -3.492 -17.853 -4.160 1.00 0.00 C ATOM 534 O PRO A 37 -2.528 -17.360 -3.576 1.00 0.00 O ATOM 535 CB PRO A 37 -4.194 -20.157 -3.452 1.00 0.00 C ATOM 536 CG PRO A 37 -4.986 -20.685 -4.598 1.00 0.00 C ATOM 537 CD PRO A 37 -6.254 -19.877 -4.633 1.00 0.00 C ATOM 0 HA PRO A 37 -4.536 -18.250 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.126 -20.315 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.462 -20.657 -2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.434 -20.585 -5.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.202 -21.745 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.616 -19.742 -5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.054 -20.360 -4.072 1.00 0.00 H new ATOM 545 N ALA A 38 -3.692 -17.719 -5.467 1.00 0.00 N ATOM 546 CA ALA A 38 -2.770 -16.965 -6.307 1.00 0.00 C ATOM 547 C ALA A 38 -3.063 -15.470 -6.238 1.00 0.00 C ATOM 548 O ALA A 38 -2.349 -14.659 -6.830 1.00 0.00 O ATOM 549 CB ALA A 38 -2.847 -17.454 -7.746 1.00 0.00 C ATOM 0 H ALA A 38 -4.484 -18.123 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.759 -17.129 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.153 -16.882 -8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.582 -18.510 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.861 -17.320 -8.122 1.00 0.00 H new ATOM 555 N LEU A 39 -4.116 -15.111 -5.513 1.00 0.00 N ATOM 556 CA LEU A 39 -4.504 -13.712 -5.368 1.00 0.00 C ATOM 557 C LEU A 39 -3.983 -13.137 -4.054 1.00 0.00 C ATOM 558 O LEU A 39 -4.301 -13.638 -2.975 1.00 0.00 O ATOM 559 CB LEU A 39 -6.026 -13.575 -5.430 1.00 0.00 C ATOM 560 CG LEU A 39 -6.581 -12.162 -5.246 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.507 -11.385 -6.552 1.00 0.00 C ATOM 562 CD2 LEU A 39 -8.013 -12.213 -4.734 1.00 0.00 C ATOM 0 H LEU A 39 -4.717 -15.769 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.062 -13.150 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.366 -13.955 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.460 -14.217 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.970 -11.646 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.906 -10.382 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.469 -11.317 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.093 -11.898 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.391 -11.198 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.637 -12.747 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.038 -12.730 -3.775 1.00 0.00 H new ATOM 574 N LEU A 40 -3.184 -12.080 -4.153 1.00 0.00 N ATOM 575 CA LEU A 40 -2.621 -11.434 -2.972 1.00 0.00 C ATOM 576 C LEU A 40 -3.238 -10.056 -2.759 1.00 0.00 C ATOM 577 O LEU A 40 -2.910 -9.101 -3.464 1.00 0.00 O ATOM 578 CB LEU A 40 -1.103 -11.310 -3.110 1.00 0.00 C ATOM 579 CG LEU A 40 -0.377 -10.628 -1.950 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.554 -11.426 -0.667 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.100 -10.456 -2.272 1.00 0.00 C ATOM 0 H LEU A 40 -2.912 -11.652 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.852 -12.053 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.687 -12.310 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.885 -10.757 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.814 -9.640 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.031 -10.926 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.615 -11.498 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.144 -12.427 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.601 -9.969 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.551 -11.433 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.208 -9.842 -3.166 1.00 0.00 H new ATOM 593 N LEU A 41 -4.132 -9.959 -1.781 1.00 0.00 N ATOM 594 CA LEU A 41 -4.795 -8.696 -1.473 1.00 0.00 C ATOM 595 C LEU A 41 -3.982 -7.886 -0.468 1.00 0.00 C ATOM 596 O LEU A 41 -3.848 -8.273 0.693 1.00 0.00 O ATOM 597 CB LEU A 41 -6.198 -8.955 -0.920 1.00 0.00 C ATOM 598 CG LEU A 41 -7.055 -9.948 -1.705 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.303 -10.315 -0.917 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.430 -9.372 -3.063 1.00 0.00 C ATOM 0 H LEU A 41 -4.415 -10.739 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.875 -8.121 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.102 -9.318 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.730 -8.005 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.472 -10.855 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.901 -11.023 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.014 -10.769 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.889 -9.416 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.040 -10.092 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.995 -8.450 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.524 -9.160 -3.631 1.00 0.00 H new ATOM 612 N ILE A 42 -3.443 -6.760 -0.922 1.00 0.00 N ATOM 613 CA ILE A 42 -2.646 -5.894 -0.062 1.00 0.00 C ATOM 614 C ILE A 42 -3.445 -4.672 0.379 1.00 0.00 C ATOM 615 O ILE A 42 -4.186 -4.082 -0.409 1.00 0.00 O ATOM 616 CB ILE A 42 -1.361 -5.425 -0.770 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.348 -6.569 -0.846 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.764 -4.228 -0.046 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.965 -6.172 -1.484 1.00 0.00 C ATOM 0 H ILE A 42 -3.544 -6.426 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.374 -6.483 0.814 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.614 -5.121 -1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.156 -6.941 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.784 -7.392 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.143 -3.908 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.484 -3.410 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.523 -4.507 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.634 -7.032 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.785 -5.828 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.423 -5.370 -0.905 1.00 0.00 H new ATOM 631 N THR A 43 -3.288 -4.294 1.644 1.00 0.00 N ATOM 632 CA THR A 43 -3.994 -3.142 2.191 1.00 0.00 C ATOM 633 C THR A 43 -3.037 -2.208 2.923 1.00 0.00 C ATOM 634 O THR A 43 -2.107 -2.658 3.593 1.00 0.00 O ATOM 635 CB THR A 43 -5.111 -3.575 3.158 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.884 -4.630 2.574 1.00 0.00 O ATOM 637 CG2 THR A 43 -6.019 -2.402 3.497 1.00 0.00 C ATOM 0 H THR A 43 -2.678 -4.769 2.309 1.00 0.00 H new ATOM 0 HA THR A 43 -4.439 -2.614 1.348 1.00 0.00 H new ATOM 0 HB THR A 43 -4.646 -3.932 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.591 -4.901 3.196 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.800 -2.733 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.433 -1.613 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.475 -2.019 2.584 1.00 0.00 H new ATOM 645 N ILE A 44 -3.272 -0.907 2.792 1.00 0.00 N ATOM 646 CA ILE A 44 -2.431 0.090 3.443 1.00 0.00 C ATOM 647 C ILE A 44 -3.159 0.743 4.613 1.00 0.00 C ATOM 648 O ILE A 44 -4.380 0.639 4.736 1.00 0.00 O ATOM 649 CB ILE A 44 -1.986 1.184 2.454 1.00 0.00 C ATOM 650 CG1 ILE A 44 -1.822 0.597 1.051 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.688 1.825 2.922 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.436 1.623 0.009 1.00 0.00 C ATOM 0 H ILE A 44 -4.038 -0.519 2.241 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.549 -0.433 3.813 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.756 1.955 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.062 -0.184 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.757 0.122 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.387 2.596 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.837 2.274 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.091 1.065 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.337 1.137 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.206 2.392 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.486 2.081 0.284 1.00 0.00 H new ATOM 664 N THR A 45 -2.401 1.419 5.471 1.00 0.00 N ATOM 665 CA THR A 45 -2.973 2.090 6.632 1.00 0.00 C ATOM 666 C THR A 45 -2.198 3.358 6.970 1.00 0.00 C ATOM 667 O THR A 45 -1.078 3.296 7.476 1.00 0.00 O ATOM 668 CB THR A 45 -2.987 1.166 7.864 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.579 -0.093 7.526 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.760 1.804 9.009 1.00 0.00 C ATOM 0 H THR A 45 -1.389 1.516 5.384 1.00 0.00 H new ATOM 0 HA THR A 45 -3.999 2.353 6.373 1.00 0.00 H new ATOM 0 HB THR A 45 -1.957 1.008 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.583 -0.675 8.314 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.757 1.134 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.290 2.748 9.284 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.788 1.988 8.696 1.00 0.00 H new ATOM 678 N ALA A 46 -2.802 4.508 6.689 1.00 0.00 N ATOM 679 CA ALA A 46 -2.169 5.791 6.967 1.00 0.00 C ATOM 680 C ALA A 46 -2.768 6.441 8.210 1.00 0.00 C ATOM 681 O ALA A 46 -3.937 6.827 8.220 1.00 0.00 O ATOM 682 CB ALA A 46 -2.305 6.717 5.767 1.00 0.00 C ATOM 0 H ALA A 46 -3.729 4.577 6.269 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.111 5.613 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.828 7.672 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.824 6.263 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.361 6.880 5.551 1.00 0.00 H new ATOM 688 N THR A 47 -1.959 6.559 9.258 1.00 0.00 N ATOM 689 CA THR A 47 -2.409 7.160 10.507 1.00 0.00 C ATOM 690 C THR A 47 -1.641 8.442 10.809 1.00 0.00 C ATOM 691 O THR A 47 -0.412 8.461 10.782 1.00 0.00 O ATOM 692 CB THR A 47 -2.246 6.187 11.690 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.874 5.793 11.815 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.117 4.954 11.502 1.00 0.00 C ATOM 0 H THR A 47 -0.988 6.246 9.266 1.00 0.00 H new ATOM 0 HA THR A 47 -3.466 7.394 10.382 1.00 0.00 H new ATOM 0 HB THR A 47 -2.561 6.700 12.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.300 6.472 11.404 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.984 4.282 12.350 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.163 5.254 11.437 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.829 4.441 10.584 1.00 0.00 H new ATOM 702 N ASN A 48 -2.375 9.512 11.097 1.00 0.00 N ATOM 703 CA ASN A 48 -1.762 10.799 11.404 1.00 0.00 C ATOM 704 C ASN A 48 -1.997 11.179 12.863 1.00 0.00 C ATOM 705 O ASN A 48 -3.108 11.054 13.377 1.00 0.00 O ATOM 706 CB ASN A 48 -2.323 11.886 10.485 1.00 0.00 C ATOM 707 CG ASN A 48 -1.517 13.170 10.549 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.396 13.187 11.058 1.00 0.00 O ATOM 709 ND2 ASN A 48 -2.087 14.252 10.032 1.00 0.00 N ATOM 0 H ASN A 48 -3.395 9.513 11.124 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.688 10.711 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.336 11.519 9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.356 12.095 10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.594 15.145 10.046 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.018 14.191 9.620 1.00 0.00 H new ATOM 716 N PHE A 49 -0.943 11.645 13.524 1.00 0.00 N ATOM 717 CA PHE A 49 -1.033 12.043 14.924 1.00 0.00 C ATOM 718 C PHE A 49 -0.607 13.497 15.104 1.00 0.00 C ATOM 719 O PHE A 49 -1.076 14.185 16.010 1.00 0.00 O ATOM 720 CB PHE A 49 -0.162 11.133 15.792 1.00 0.00 C ATOM 721 CG PHE A 49 -0.717 9.746 15.952 1.00 0.00 C ATOM 722 CD1 PHE A 49 -1.698 9.483 16.894 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.258 8.707 15.159 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.209 8.207 17.043 1.00 0.00 C ATOM 725 CE2 PHE A 49 -0.766 7.430 15.303 1.00 0.00 C ATOM 726 CZ PHE A 49 -1.744 7.180 16.246 1.00 0.00 C ATOM 0 H PHE A 49 -0.016 11.756 13.113 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.072 11.946 15.238 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.833 11.069 15.352 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.047 11.585 16.777 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.067 10.283 17.518 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.506 8.897 14.420 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.972 8.014 17.783 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.399 6.628 14.679 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.144 6.183 16.360 1.00 0.00 H new ATOM 736 N SER A 50 0.287 13.958 14.234 1.00 0.00 N ATOM 737 CA SER A 50 0.781 15.328 14.299 1.00 0.00 C ATOM 738 C SER A 50 -0.376 16.319 14.390 1.00 0.00 C ATOM 739 O SER A 50 -1.543 15.935 14.314 1.00 0.00 O ATOM 740 CB SER A 50 1.640 15.642 13.073 1.00 0.00 C ATOM 741 OG SER A 50 0.854 15.675 11.894 1.00 0.00 O ATOM 0 H SER A 50 0.684 13.402 13.476 1.00 0.00 H new ATOM 0 HA SER A 50 1.392 15.425 15.196 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.137 16.603 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.423 14.890 12.971 1.00 0.00 H new ATOM 0 HG SER A 50 0.491 14.782 11.718 1.00 0.00 H new ATOM 747 N GLU A 51 -0.043 17.595 14.552 1.00 0.00 N ATOM 748 CA GLU A 51 -1.053 18.641 14.654 1.00 0.00 C ATOM 749 C GLU A 51 -1.578 19.027 13.274 1.00 0.00 C ATOM 750 O GLU A 51 -2.748 19.375 13.118 1.00 0.00 O ATOM 751 CB GLU A 51 -0.476 19.873 15.355 1.00 0.00 C ATOM 752 CG GLU A 51 0.842 20.346 14.766 1.00 0.00 C ATOM 753 CD GLU A 51 1.269 21.699 15.304 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.202 21.897 16.535 1.00 0.00 O ATOM 755 OE2 GLU A 51 1.671 22.559 14.492 1.00 0.00 O ATOM 0 H GLU A 51 0.919 17.929 14.615 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.883 18.252 15.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.201 20.685 15.300 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.332 19.645 16.411 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.617 19.611 14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.752 20.402 13.681 1.00 0.00 H new ATOM 762 N GLY A 52 -0.703 18.964 12.276 1.00 0.00 N ATOM 763 CA GLY A 52 -1.095 19.310 10.922 1.00 0.00 C ATOM 764 C GLY A 52 -1.845 18.189 10.231 1.00 0.00 C ATOM 765 O GLY A 52 -1.360 17.059 10.163 1.00 0.00 O ATOM 0 H GLY A 52 0.271 18.679 12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.721 20.202 10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.206 19.560 10.342 1.00 0.00 H new ATOM 769 N ASP A 53 -3.030 18.499 9.718 1.00 0.00 N ATOM 770 CA ASP A 53 -3.848 17.508 9.029 1.00 0.00 C ATOM 771 C ASP A 53 -3.351 17.289 7.603 1.00 0.00 C ATOM 772 O ASP A 53 -2.651 18.132 7.043 1.00 0.00 O ATOM 773 CB ASP A 53 -5.313 17.949 9.010 1.00 0.00 C ATOM 774 CG ASP A 53 -5.729 18.631 10.298 1.00 0.00 C ATOM 775 OD1 ASP A 53 -5.171 19.704 10.609 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.614 18.092 10.995 1.00 0.00 O ATOM 0 H ASP A 53 -3.446 19.429 9.766 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.767 16.566 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.474 18.629 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.949 17.080 8.841 1.00 0.00 H new ATOM 781 N VAL A 54 -3.717 16.151 7.023 1.00 0.00 N ATOM 782 CA VAL A 54 -3.309 15.821 5.663 1.00 0.00 C ATOM 783 C VAL A 54 -4.518 15.673 4.746 1.00 0.00 C ATOM 784 O VAL A 54 -5.562 15.162 5.154 1.00 0.00 O ATOM 785 CB VAL A 54 -2.487 14.518 5.624 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.113 14.165 4.193 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.245 14.647 6.493 1.00 0.00 C ATOM 0 H VAL A 54 -4.295 15.442 7.474 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.688 16.645 5.311 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.100 13.710 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.533 13.242 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.019 14.029 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.518 14.971 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.676 13.718 6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.627 15.467 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.541 14.849 7.523 1.00 0.00 H new ATOM 797 N THR A 55 -4.371 16.124 3.504 1.00 0.00 N ATOM 798 CA THR A 55 -5.452 16.043 2.529 1.00 0.00 C ATOM 799 C THR A 55 -4.916 15.707 1.142 1.00 0.00 C ATOM 800 O THR A 55 -3.709 15.551 0.952 1.00 0.00 O ATOM 801 CB THR A 55 -6.242 17.362 2.456 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.349 18.457 2.224 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.019 17.599 3.742 1.00 0.00 C ATOM 0 H THR A 55 -3.514 16.549 3.150 1.00 0.00 H new ATOM 0 HA THR A 55 -6.119 15.247 2.861 1.00 0.00 H new ATOM 0 HB THR A 55 -6.950 17.290 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.860 19.292 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.569 18.537 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.719 16.779 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.326 17.651 4.582 1.00 0.00 H new ATOM 811 N HIS A 56 -5.820 15.598 0.174 1.00 0.00 N ATOM 812 CA HIS A 56 -5.437 15.281 -1.198 1.00 0.00 C ATOM 813 C HIS A 56 -4.332 14.230 -1.225 1.00 0.00 C ATOM 814 O HIS A 56 -3.369 14.346 -1.983 1.00 0.00 O ATOM 815 CB HIS A 56 -4.973 16.544 -1.924 1.00 0.00 C ATOM 816 CG HIS A 56 -5.143 16.477 -3.411 1.00 0.00 C ATOM 817 ND1 HIS A 56 -4.111 16.699 -4.297 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.234 16.209 -4.166 1.00 0.00 C ATOM 819 CE1 HIS A 56 -4.560 16.572 -5.533 1.00 0.00 C ATOM 820 NE2 HIS A 56 -5.845 16.274 -5.481 1.00 0.00 N ATOM 0 H HIS A 56 -6.822 15.724 0.314 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.311 14.877 -1.709 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.530 17.399 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.922 16.720 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.226 15.986 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.975 16.692 -6.433 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.450 16.117 -6.287 1.00 0.00 H new ATOM 828 N PHE A 57 -4.478 13.204 -0.392 1.00 0.00 N ATOM 829 CA PHE A 57 -3.491 12.133 -0.319 1.00 0.00 C ATOM 830 C PHE A 57 -3.701 11.123 -1.444 1.00 0.00 C ATOM 831 O PHE A 57 -4.763 10.511 -1.553 1.00 0.00 O ATOM 832 CB PHE A 57 -3.572 11.427 1.036 1.00 0.00 C ATOM 833 CG PHE A 57 -2.865 10.103 1.066 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.633 9.947 0.451 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.432 9.014 1.708 1.00 0.00 C ATOM 836 CE1 PHE A 57 -0.979 8.729 0.477 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.782 7.794 1.737 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.555 7.651 1.120 1.00 0.00 C ATOM 0 H PHE A 57 -5.270 13.092 0.241 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.502 12.576 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.144 12.076 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.620 11.276 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.178 10.786 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.392 9.119 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.019 8.621 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.234 6.953 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.047 6.698 1.140 1.00 0.00 H new ATOM 848 N ILE A 58 -2.680 10.956 -2.279 1.00 0.00 N ATOM 849 CA ILE A 58 -2.752 10.022 -3.395 1.00 0.00 C ATOM 850 C ILE A 58 -1.659 8.963 -3.296 1.00 0.00 C ATOM 851 O ILE A 58 -0.469 9.278 -3.351 1.00 0.00 O ATOM 852 CB ILE A 58 -2.627 10.748 -4.747 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.803 11.706 -4.946 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.558 9.741 -5.885 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.670 12.579 -6.175 1.00 0.00 C ATOM 0 H ILE A 58 -1.794 11.455 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.728 9.540 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.705 11.329 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.724 11.128 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.895 12.343 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.470 10.270 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.691 9.095 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.464 9.135 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.539 13.233 -6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.767 13.184 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.608 11.950 -7.063 1.00 0.00 H new ATOM 867 N CYS A 59 -2.069 7.708 -3.152 1.00 0.00 N ATOM 868 CA CYS A 59 -1.124 6.602 -3.047 1.00 0.00 C ATOM 869 C CYS A 59 -1.129 5.760 -4.319 1.00 0.00 C ATOM 870 O CYS A 59 -2.150 5.180 -4.687 1.00 0.00 O ATOM 871 CB CYS A 59 -1.465 5.726 -1.840 1.00 0.00 C ATOM 872 SG CYS A 59 -0.326 4.345 -1.586 1.00 0.00 S ATOM 0 H CYS A 59 -3.049 7.431 -3.105 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.126 7.020 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.472 6.347 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.474 5.333 -1.963 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.094 4.202 -0.315 1.00 0.00 H new ATOM 878 N GLN A 60 0.019 5.701 -4.987 1.00 0.00 N ATOM 879 CA GLN A 60 0.145 4.932 -6.219 1.00 0.00 C ATOM 880 C GLN A 60 0.995 3.685 -5.998 1.00 0.00 C ATOM 881 O GLN A 60 1.664 3.551 -4.974 1.00 0.00 O ATOM 882 CB GLN A 60 0.762 5.794 -7.322 1.00 0.00 C ATOM 883 CG GLN A 60 -0.092 6.992 -7.707 1.00 0.00 C ATOM 884 CD GLN A 60 -1.218 6.626 -8.652 1.00 0.00 C ATOM 885 OE1 GLN A 60 -0.992 6.358 -9.833 1.00 0.00 O ATOM 886 NE2 GLN A 60 -2.442 6.611 -8.138 1.00 0.00 N ATOM 0 H GLN A 60 0.874 6.176 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.853 4.620 -6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.740 6.146 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.926 5.177 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.510 7.440 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.539 7.748 -8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.585 6.840 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.240 6.371 -8.727 1.00 0.00 H new ATOM 895 N ALA A 61 0.962 2.774 -6.965 1.00 0.00 N ATOM 896 CA ALA A 61 1.730 1.538 -6.877 1.00 0.00 C ATOM 897 C ALA A 61 2.087 1.013 -8.263 1.00 0.00 C ATOM 898 O ALA A 61 1.367 1.253 -9.232 1.00 0.00 O ATOM 899 CB ALA A 61 0.953 0.488 -6.096 1.00 0.00 C ATOM 0 H ALA A 61 0.412 2.869 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 61 2.659 1.754 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.538 -0.430 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.755 0.856 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.008 0.285 -6.600 1.00 0.00 H new ATOM 905 N ALA A 62 3.203 0.296 -8.350 1.00 0.00 N ATOM 906 CA ALA A 62 3.654 -0.265 -9.618 1.00 0.00 C ATOM 907 C ALA A 62 4.103 -1.712 -9.450 1.00 0.00 C ATOM 908 O ALA A 62 4.748 -2.062 -8.461 1.00 0.00 O ATOM 909 CB ALA A 62 4.783 0.577 -10.195 1.00 0.00 C ATOM 0 H ALA A 62 3.811 0.090 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 62 2.814 -0.252 -10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.110 0.147 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.430 1.595 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.619 0.593 -9.496 1.00 0.00 H new ATOM 915 N VAL A 63 3.757 -2.551 -10.422 1.00 0.00 N ATOM 916 CA VAL A 63 4.125 -3.961 -10.381 1.00 0.00 C ATOM 917 C VAL A 63 4.602 -4.444 -11.746 1.00 0.00 C ATOM 918 O VAL A 63 4.138 -3.986 -12.791 1.00 0.00 O ATOM 919 CB VAL A 63 2.944 -4.836 -9.923 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.322 -4.274 -8.654 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.905 -4.951 -11.029 1.00 0.00 C ATOM 0 H VAL A 63 3.223 -2.278 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 63 4.938 -4.055 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 63 3.320 -5.835 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.489 -4.906 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.071 -4.249 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.960 -3.263 -8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.078 -5.573 -10.688 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.532 -3.959 -11.283 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.360 -5.404 -11.910 1.00 0.00 H new ATOM 931 N PRO A 64 5.550 -5.392 -11.740 1.00 0.00 N ATOM 932 CA PRO A 64 6.110 -5.960 -12.971 1.00 0.00 C ATOM 933 C PRO A 64 5.106 -6.831 -13.717 1.00 0.00 C ATOM 934 O PRO A 64 4.214 -7.426 -13.112 1.00 0.00 O ATOM 935 CB PRO A 64 7.283 -6.806 -12.469 1.00 0.00 C ATOM 936 CG PRO A 64 6.925 -7.156 -11.066 1.00 0.00 C ATOM 937 CD PRO A 64 6.149 -5.984 -10.532 1.00 0.00 C ATOM 0 HA PRO A 64 6.398 -5.186 -13.683 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.416 -7.700 -13.078 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.219 -6.249 -12.512 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.328 -8.068 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.819 -7.337 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.387 -6.298 -9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.796 -5.275 -10.016 1.00 0.00 H new ATOM 945 N LYS A 65 5.256 -6.903 -15.035 1.00 0.00 N ATOM 946 CA LYS A 65 4.364 -7.703 -15.865 1.00 0.00 C ATOM 947 C LYS A 65 4.078 -9.052 -15.213 1.00 0.00 C ATOM 948 O LYS A 65 2.973 -9.583 -15.323 1.00 0.00 O ATOM 949 CB LYS A 65 4.976 -7.914 -17.252 1.00 0.00 C ATOM 950 CG LYS A 65 6.216 -8.791 -17.241 1.00 0.00 C ATOM 951 CD LYS A 65 5.864 -10.258 -17.418 1.00 0.00 C ATOM 952 CE LYS A 65 5.687 -10.616 -18.886 1.00 0.00 C ATOM 953 NZ LYS A 65 4.820 -11.813 -19.064 1.00 0.00 N ATOM 0 H LYS A 65 5.988 -6.416 -15.552 1.00 0.00 H new ATOM 0 HA LYS A 65 3.423 -7.163 -15.969 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.228 -8.364 -17.905 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.231 -6.944 -17.679 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.890 -8.479 -18.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.750 -8.655 -16.301 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.649 -10.877 -16.984 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.946 -10.481 -16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.251 -9.769 -19.416 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.663 -10.804 -19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.724 -12.024 -20.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.249 -12.627 -18.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.881 -11.625 -18.659 1.00 0.00 H new ATOM 967 N SER A 66 5.080 -9.600 -14.533 1.00 0.00 N ATOM 968 CA SER A 66 4.936 -10.888 -13.865 1.00 0.00 C ATOM 969 C SER A 66 3.671 -10.920 -13.013 1.00 0.00 C ATOM 970 O SER A 66 2.893 -11.874 -13.071 1.00 0.00 O ATOM 971 CB SER A 66 6.160 -11.172 -12.992 1.00 0.00 C ATOM 972 OG SER A 66 6.501 -10.042 -12.208 1.00 0.00 O ATOM 0 H SER A 66 6.000 -9.172 -14.430 1.00 0.00 H new ATOM 0 HA SER A 66 4.857 -11.660 -14.630 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.957 -12.022 -12.341 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.004 -11.449 -13.623 1.00 0.00 H new ATOM 0 HG SER A 66 7.418 -9.764 -12.416 1.00 0.00 H new ATOM 978 N LEU A 67 3.471 -9.871 -12.223 1.00 0.00 N ATOM 979 CA LEU A 67 2.299 -9.778 -11.358 1.00 0.00 C ATOM 980 C LEU A 67 1.310 -8.747 -11.891 1.00 0.00 C ATOM 981 O LEU A 67 1.610 -8.014 -12.834 1.00 0.00 O ATOM 982 CB LEU A 67 2.721 -9.408 -9.935 1.00 0.00 C ATOM 983 CG LEU A 67 3.953 -10.131 -9.390 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.429 -9.479 -8.101 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.651 -11.605 -9.165 1.00 0.00 C ATOM 0 H LEU A 67 4.104 -9.073 -12.163 1.00 0.00 H new ATOM 0 HA LEU A 67 1.809 -10.751 -11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.910 -8.335 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.883 -9.606 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 67 4.751 -10.053 -10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.306 -10.007 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.687 -8.438 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.635 -9.524 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.539 -12.103 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.837 -11.704 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.360 -12.065 -10.109 1.00 0.00 H new ATOM 997 N GLN A 68 0.130 -8.695 -11.281 1.00 0.00 N ATOM 998 CA GLN A 68 -0.903 -7.753 -11.694 1.00 0.00 C ATOM 999 C GLN A 68 -1.201 -6.751 -10.583 1.00 0.00 C ATOM 1000 O GLN A 68 -0.834 -6.962 -9.427 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.180 -8.500 -12.079 1.00 0.00 C ATOM 1002 CG GLN A 68 -3.003 -7.792 -13.143 1.00 0.00 C ATOM 1003 CD GLN A 68 -3.946 -8.728 -13.872 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -3.672 -9.155 -14.993 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -5.066 -9.054 -13.236 1.00 0.00 N ATOM 0 H GLN A 68 -0.134 -9.294 -10.499 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.535 -7.207 -12.562 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.915 -9.494 -12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.793 -8.636 -11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.579 -6.992 -12.678 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.332 -7.325 -13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.253 -8.677 -12.307 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.739 -9.682 -13.677 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.867 -5.659 -10.942 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.215 -4.623 -9.976 1.00 0.00 C ATOM 1016 C LEU A 69 -3.593 -4.040 -10.274 1.00 0.00 C ATOM 1017 O LEU A 69 -3.979 -3.900 -11.434 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.164 -3.511 -9.991 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.225 -2.514 -8.832 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -1.026 -3.227 -7.504 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.183 -1.421 -9.014 1.00 0.00 C ATOM 0 H LEU A 69 -2.177 -5.468 -11.895 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.240 -5.078 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.176 -3.972 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.262 -2.958 -10.925 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.212 -2.051 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.072 -2.502 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.810 -3.973 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.053 -3.718 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.241 -0.721 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.811 -1.867 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.371 -0.890 -9.947 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.327 -3.701 -9.219 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.661 -3.131 -9.369 1.00 0.00 C ATOM 1035 C GLN A 70 -5.985 -2.191 -8.213 1.00 0.00 C ATOM 1036 O GLN A 70 -6.084 -2.617 -7.061 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.707 -4.244 -9.445 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.131 -3.732 -9.592 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.395 -3.123 -10.955 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.890 -3.793 -11.862 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -8.064 -1.846 -11.107 1.00 0.00 N ATOM 0 H GLN A 70 -4.021 -3.811 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.682 -2.557 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.474 -4.893 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.641 -4.856 -8.545 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.827 -4.554 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.326 -2.986 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.656 -1.329 -10.328 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.218 -1.382 -12.003 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.147 -0.911 -8.526 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.460 0.091 -7.513 1.00 0.00 C ATOM 1052 C LEU A 71 -7.959 0.137 -7.236 1.00 0.00 C ATOM 1053 O LEU A 71 -8.748 0.506 -8.105 1.00 0.00 O ATOM 1054 CB LEU A 71 -5.970 1.469 -7.961 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.929 2.551 -6.882 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.858 3.583 -7.201 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.290 3.218 -6.742 1.00 0.00 C ATOM 0 H LEU A 71 -6.067 -0.542 -9.473 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.948 -0.188 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.968 1.359 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.613 1.815 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.679 2.079 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.844 4.345 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.885 3.095 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.077 4.050 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.241 3.985 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.570 3.676 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.034 2.471 -6.465 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.343 -0.238 -6.020 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.748 -0.238 -5.630 1.00 0.00 C ATOM 1071 C GLN A 72 -10.169 1.134 -5.113 1.00 0.00 C ATOM 1072 O GLN A 72 -9.337 1.920 -4.661 1.00 0.00 O ATOM 1073 CB GLN A 72 -10.001 -1.300 -4.558 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.463 -1.428 -4.162 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.339 -1.895 -5.308 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -13.270 -1.200 -5.717 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -12.046 -3.079 -5.833 1.00 0.00 N ATOM 0 H GLN A 72 -7.702 -0.545 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.344 -0.472 -6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.646 -2.264 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.413 -1.058 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.551 -2.130 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.824 -0.464 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.266 -3.622 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.601 -3.446 -6.606 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.466 1.414 -5.182 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.998 2.690 -4.719 1.00 0.00 C ATOM 1088 C ALA A 73 -11.571 2.974 -3.283 1.00 0.00 C ATOM 1089 O ALA A 73 -11.875 2.219 -2.359 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.515 2.702 -4.833 1.00 0.00 C ATOM 0 H ALA A 73 -12.168 0.774 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.591 3.477 -5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.899 3.661 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.803 2.553 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.932 1.901 -4.223 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.850 4.088 -3.089 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.366 4.497 -1.767 1.00 0.00 C ATOM 1098 C PRO A 74 -11.496 4.952 -0.851 1.00 0.00 C ATOM 1099 O PRO A 74 -12.662 4.967 -1.247 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.427 5.665 -2.078 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.919 6.211 -3.374 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.451 5.034 -4.144 1.00 0.00 C ATOM 0 HA PRO A 74 -9.885 3.675 -1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.460 6.420 -1.292 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.392 5.331 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.698 6.956 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.115 6.704 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.296 5.314 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.693 4.607 -4.800 1.00 0.00 H new ATOM 1110 N SER A 75 -11.145 5.323 0.376 1.00 0.00 N ATOM 1111 CA SER A 75 -12.132 5.776 1.350 1.00 0.00 C ATOM 1112 C SER A 75 -12.276 7.295 1.311 1.00 0.00 C ATOM 1113 O SER A 75 -13.381 7.827 1.404 1.00 0.00 O ATOM 1114 CB SER A 75 -11.734 5.326 2.757 1.00 0.00 C ATOM 1115 OG SER A 75 -10.493 5.892 3.142 1.00 0.00 O ATOM 0 H SER A 75 -10.185 5.319 0.720 1.00 0.00 H new ATOM 0 HA SER A 75 -13.093 5.331 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.507 5.619 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.667 4.239 2.789 1.00 0.00 H new ATOM 0 HG SER A 75 -10.262 5.590 4.045 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.149 7.987 1.174 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.170 9.437 1.125 1.00 0.00 C ATOM 1123 C GLY A 76 -9.779 10.036 1.083 1.00 0.00 C ATOM 1124 O GLY A 76 -8.838 9.478 1.647 1.00 0.00 O ATOM 0 H GLY A 76 -10.222 7.569 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.728 9.760 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.701 9.819 1.997 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.647 11.175 0.411 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.359 11.850 0.295 1.00 0.00 C ATOM 1130 C ASN A 77 -8.157 12.837 1.440 1.00 0.00 C ATOM 1131 O ASN A 77 -7.632 13.934 1.244 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.261 12.579 -1.046 1.00 0.00 C ATOM 1133 CG ASN A 77 -8.115 11.624 -2.215 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -8.911 10.699 -2.377 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -7.095 11.844 -3.036 1.00 0.00 N ATOM 0 H ASN A 77 -10.416 11.650 -0.062 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.575 11.095 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.152 13.191 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.408 13.257 -1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.947 11.234 -3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.460 12.623 -2.863 1.00 0.00 H new ATOM 1142 N THR A 78 -8.576 12.440 2.638 1.00 0.00 N ATOM 1143 CA THR A 78 -8.443 13.290 3.815 1.00 0.00 C ATOM 1144 C THR A 78 -8.155 12.461 5.061 1.00 0.00 C ATOM 1145 O THR A 78 -8.777 11.422 5.285 1.00 0.00 O ATOM 1146 CB THR A 78 -9.714 14.127 4.051 1.00 0.00 C ATOM 1147 OG1 THR A 78 -9.956 14.978 2.925 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.580 14.970 5.310 1.00 0.00 C ATOM 0 H THR A 78 -9.010 11.535 2.818 1.00 0.00 H new ATOM 0 HA THR A 78 -7.605 13.962 3.627 1.00 0.00 H new ATOM 0 HB THR A 78 -10.554 13.444 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.767 15.506 3.082 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.490 15.553 5.456 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.424 14.318 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.730 15.644 5.208 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.209 12.926 5.870 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.840 12.228 7.096 1.00 0.00 C ATOM 1158 C VAL A 79 -6.805 13.184 8.284 1.00 0.00 C ATOM 1159 O VAL A 79 -6.204 14.257 8.231 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.466 11.545 6.961 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.014 10.986 8.302 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.519 10.448 5.908 1.00 0.00 C ATOM 0 H VAL A 79 -6.684 13.783 5.699 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.601 11.467 7.268 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.738 12.290 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.042 10.507 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.936 11.797 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.740 10.253 8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.540 9.976 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.259 9.702 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.796 10.880 4.946 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.465 12.787 9.382 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.524 13.594 10.605 1.00 0.00 C ATOM 1174 C PRO A 80 -6.178 13.663 11.319 1.00 0.00 C ATOM 1175 O PRO A 80 -5.462 12.667 11.410 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.550 12.855 11.468 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.506 11.446 10.986 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.204 11.521 9.515 1.00 0.00 C ATOM 0 HA PRO A 80 -7.789 14.631 10.397 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.297 12.919 12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.546 13.282 11.352 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.740 10.877 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.456 10.943 11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.608 10.671 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.116 11.523 8.917 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.842 14.845 11.824 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.584 15.043 12.533 1.00 0.00 C ATOM 1188 C ALA A 81 -4.707 14.631 13.996 1.00 0.00 C ATOM 1189 O ALA A 81 -3.805 14.877 14.798 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.141 16.495 12.427 1.00 0.00 C ATOM 0 H ALA A 81 -6.423 15.680 11.755 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.830 14.409 12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.200 16.628 12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.003 16.758 11.378 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.902 17.140 12.866 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.827 14.003 14.337 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.068 13.559 15.704 1.00 0.00 C ATOM 1198 C ARG A 82 -6.259 12.046 15.758 1.00 0.00 C ATOM 1199 O ARG A 82 -7.229 11.553 16.333 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.299 14.260 16.281 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.140 15.766 16.406 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.402 16.466 15.081 1.00 0.00 C ATOM 1203 NE ARG A 82 -7.232 17.913 15.183 1.00 0.00 N ATOM 1204 CZ ARG A 82 -7.711 18.773 14.292 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -8.387 18.335 13.239 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -7.515 20.076 14.454 1.00 0.00 N ATOM 0 H ARG A 82 -6.582 13.790 13.685 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.196 13.820 16.303 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.159 14.045 15.647 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.516 13.843 17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.829 16.144 17.161 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.132 15.999 16.749 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.723 16.074 14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.415 16.243 14.747 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.717 18.283 15.982 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.540 17.335 13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.754 18.998 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.996 20.417 15.263 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.883 20.736 13.769 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.327 11.315 15.155 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.411 9.866 15.146 1.00 0.00 C ATOM 1222 C GLY A 83 -6.829 9.369 14.946 1.00 0.00 C ATOM 1223 O GLY A 83 -7.299 8.501 15.680 1.00 0.00 O ATOM 0 H GLY A 83 -4.515 11.700 14.672 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.776 9.473 14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.022 9.477 16.087 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.514 9.923 13.950 1.00 0.00 N ATOM 1228 CA GLY A 84 -8.881 9.519 13.675 1.00 0.00 C ATOM 1229 C GLY A 84 -8.959 8.184 12.962 1.00 0.00 C ATOM 1230 O GLY A 84 -8.615 7.147 13.530 1.00 0.00 O ATOM 0 H GLY A 84 -7.147 10.644 13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.434 9.460 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.366 10.282 13.066 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.414 8.208 11.714 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.538 6.989 10.922 1.00 0.00 C ATOM 1236 C LEU A 85 -8.586 7.015 9.731 1.00 0.00 C ATOM 1237 O LEU A 85 -8.668 7.879 8.857 1.00 0.00 O ATOM 1238 CB LEU A 85 -10.978 6.819 10.435 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.063 6.887 11.510 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.430 8.333 11.806 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.292 6.101 11.078 1.00 0.00 C ATOM 0 H LEU A 85 -9.703 9.057 11.229 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.273 6.143 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.182 7.590 9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.057 5.858 9.927 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.672 6.438 12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.204 8.362 12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.548 8.867 12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.802 8.807 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.054 6.161 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.685 6.520 10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.019 5.058 10.917 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.661 6.044 9.691 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.677 5.932 8.610 1.00 0.00 C ATOM 1255 C PRO A 86 -7.312 5.515 7.288 1.00 0.00 C ATOM 1256 O PRO A 86 -8.410 4.958 7.266 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.722 4.845 9.111 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.539 4.028 10.051 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.505 4.981 10.698 1.00 0.00 C ATOM 0 HA PRO A 86 -6.190 6.885 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.343 4.240 8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.857 5.278 9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.068 3.236 9.521 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.908 3.545 10.798 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.456 4.498 10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.115 5.372 11.638 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.616 5.788 6.190 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.113 5.439 4.865 1.00 0.00 C ATOM 1269 C ILE A 87 -6.617 4.062 4.437 1.00 0.00 C ATOM 1270 O ILE A 87 -5.480 3.683 4.720 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.683 6.477 3.812 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.241 7.857 4.166 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.148 6.051 2.427 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.609 8.985 3.380 1.00 0.00 C ATOM 0 H ILE A 87 -5.706 6.250 6.192 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.201 5.427 4.929 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.595 6.537 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.317 7.861 3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.091 8.038 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.836 6.795 1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.707 5.087 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.235 5.966 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.053 9.933 3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.537 9.008 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.781 8.828 2.315 1.00 0.00 H new ATOM 1286 N THR A 88 -7.478 3.316 3.751 1.00 0.00 N ATOM 1287 CA THR A 88 -7.128 1.981 3.283 1.00 0.00 C ATOM 1288 C THR A 88 -7.245 1.882 1.767 1.00 0.00 C ATOM 1289 O THR A 88 -8.110 2.512 1.160 1.00 0.00 O ATOM 1290 CB THR A 88 -8.026 0.907 3.927 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.405 1.223 3.703 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.760 0.804 5.421 1.00 0.00 C ATOM 0 H THR A 88 -8.423 3.614 3.507 1.00 0.00 H new ATOM 0 HA THR A 88 -6.094 1.804 3.577 1.00 0.00 H new ATOM 0 HB THR A 88 -7.794 -0.053 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.969 0.535 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.405 0.040 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.717 0.535 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.967 1.764 5.894 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.368 1.087 1.161 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.374 0.907 -0.286 1.00 0.00 C ATOM 1302 C GLN A 89 -6.185 -0.562 -0.652 1.00 0.00 C ATOM 1303 O GLN A 89 -5.113 -1.132 -0.442 1.00 0.00 O ATOM 1304 CB GLN A 89 -5.274 1.751 -0.931 1.00 0.00 C ATOM 1305 CG GLN A 89 -5.729 3.148 -1.323 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.287 3.206 -2.731 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -5.644 3.723 -3.645 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -7.489 2.673 -2.915 1.00 0.00 N ATOM 0 H GLN A 89 -5.645 0.558 1.649 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.342 1.235 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.436 1.832 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.905 1.236 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.490 3.489 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.888 3.836 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.987 2.255 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.914 2.682 -3.842 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.231 -1.169 -1.200 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.181 -2.572 -1.596 1.00 0.00 C ATOM 1319 C LEU A 90 -6.508 -2.731 -2.955 1.00 0.00 C ATOM 1320 O LEU A 90 -6.698 -1.910 -3.853 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.592 -3.161 -1.641 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.778 -4.391 -2.530 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -8.160 -5.619 -1.879 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.254 -4.623 -2.817 1.00 0.00 C ATOM 0 H LEU A 90 -8.125 -0.712 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.592 -3.112 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.887 -3.424 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.277 -2.385 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.268 -4.212 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.302 -6.484 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.094 -5.452 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.640 -5.802 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.368 -5.502 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.787 -4.781 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.667 -3.752 -3.327 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.722 -3.793 -3.100 1.00 0.00 N ATOM 1337 CA PHE A 91 -5.021 -4.060 -4.351 1.00 0.00 C ATOM 1338 C PHE A 91 -5.050 -5.549 -4.683 1.00 0.00 C ATOM 1339 O PHE A 91 -4.659 -6.385 -3.868 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.573 -3.573 -4.263 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.451 -2.115 -3.927 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.417 -1.159 -4.930 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.369 -1.699 -2.607 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.305 0.184 -4.623 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.257 -0.357 -2.295 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.223 0.585 -3.305 1.00 0.00 C ATOM 0 H PHE A 91 -5.555 -4.482 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.531 -3.518 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.047 -4.157 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.076 -3.761 -5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.479 -1.467 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.393 -2.432 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.282 0.919 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.196 -0.045 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.132 1.634 -3.063 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.515 -5.873 -5.885 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.597 -7.261 -6.324 1.00 0.00 C ATOM 1358 C ARG A 92 -4.398 -7.626 -7.195 1.00 0.00 C ATOM 1359 O ARG A 92 -4.344 -7.273 -8.373 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.895 -7.497 -7.099 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.066 -7.898 -6.217 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.095 -8.706 -6.991 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.875 -9.580 -6.118 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.587 -10.611 -6.558 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -10.617 -10.897 -7.852 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -11.270 -11.360 -5.701 1.00 0.00 N ATOM 0 H ARG A 92 -5.841 -5.193 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.590 -7.898 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.154 -6.588 -7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.728 -8.276 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.703 -8.483 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.537 -7.005 -5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.766 -8.028 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.590 -9.307 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.873 -9.388 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.092 -10.324 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.165 -11.690 -8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.248 -11.144 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.817 -12.152 -6.039 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.441 -8.335 -6.607 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.244 -8.749 -7.330 1.00 0.00 C ATOM 1382 C ILE A 93 -2.260 -10.248 -7.606 1.00 0.00 C ATOM 1383 O ILE A 93 -2.696 -11.040 -6.770 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.965 -8.395 -6.549 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.786 -6.877 -6.480 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.248 -9.048 -7.195 1.00 0.00 C ATOM 1387 CD1 ILE A 93 -0.067 -6.409 -5.234 1.00 0.00 C ATOM 0 H ILE A 93 -3.470 -8.635 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.243 -8.208 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.061 -8.777 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.230 -6.545 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.766 -6.401 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.144 -8.788 -6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.121 -10.131 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.349 -8.693 -8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.024 -5.323 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.633 -6.710 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.927 -6.856 -5.198 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.780 -10.632 -8.784 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.736 -12.038 -9.171 1.00 0.00 C ATOM 1401 C LEU A 94 -0.304 -12.562 -9.159 1.00 0.00 C ATOM 1402 O LEU A 94 0.558 -12.058 -9.877 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.347 -12.223 -10.561 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.850 -12.503 -10.602 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.152 -13.880 -10.033 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.613 -11.429 -9.839 1.00 0.00 C ATOM 0 H LEU A 94 -1.416 -9.990 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.317 -12.607 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.149 -11.324 -11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.831 -13.045 -11.056 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.176 -12.483 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.226 -14.062 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.635 -14.638 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.812 -13.929 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.681 -11.644 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.283 -11.417 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.422 -10.456 -10.291 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.058 -13.578 -8.338 1.00 0.00 N ATOM 1419 CA ASN A 95 1.270 -14.172 -8.233 1.00 0.00 C ATOM 1420 C ASN A 95 1.227 -15.661 -8.562 1.00 0.00 C ATOM 1421 O ASN A 95 1.818 -16.492 -7.871 1.00 0.00 O ATOM 1422 CB ASN A 95 1.835 -13.965 -6.827 1.00 0.00 C ATOM 1423 CG ASN A 95 3.154 -14.683 -6.622 1.00 0.00 C ATOM 1424 OD1 ASN A 95 4.233 -14.095 -7.126 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 3.203 -15.754 -6.016 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.761 -14.007 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 95 1.920 -13.677 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.973 -12.899 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.113 -14.321 -6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.349 -16.170 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.098 -16.225 -5.885 1.00 0.00 H new ATOM 1432 N PRO A 96 0.511 -16.009 -9.642 1.00 0.00 N ATOM 1433 CA PRO A 96 0.375 -17.399 -10.088 1.00 0.00 C ATOM 1434 C PRO A 96 1.678 -17.958 -10.650 1.00 0.00 C ATOM 1435 O PRO A 96 1.879 -19.171 -10.686 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.689 -17.316 -11.185 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.602 -15.919 -11.693 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.219 -15.071 -10.511 1.00 0.00 C ATOM 0 HA PRO A 96 0.111 -18.067 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.497 -18.038 -11.978 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.682 -17.533 -10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.140 -15.838 -12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.555 -15.596 -12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.405 -14.228 -10.807 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.095 -14.659 -10.011 1.00 0.00 H new ATOM 1446 N ASN A 97 2.560 -17.064 -11.087 1.00 0.00 N ATOM 1447 CA ASN A 97 3.844 -17.470 -11.647 1.00 0.00 C ATOM 1448 C ASN A 97 4.837 -17.813 -10.541 1.00 0.00 C ATOM 1449 O ASN A 97 6.029 -17.986 -10.793 1.00 0.00 O ATOM 1450 CB ASN A 97 4.412 -16.357 -12.531 1.00 0.00 C ATOM 1451 CG ASN A 97 3.905 -16.436 -13.958 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.686 -16.588 -14.898 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.592 -16.333 -14.126 1.00 0.00 N ATOM 0 H ASN A 97 2.409 -16.055 -11.064 1.00 0.00 H new ATOM 0 HA ASN A 97 3.682 -18.361 -12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.146 -15.389 -12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.500 -16.417 -12.531 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.193 -16.379 -15.063 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.983 -16.208 -13.318 1.00 0.00 H new ATOM 1460 N LYS A 98 4.336 -17.910 -9.314 1.00 0.00 N ATOM 1461 CA LYS A 98 5.177 -18.234 -8.167 1.00 0.00 C ATOM 1462 C LYS A 98 6.492 -17.463 -8.222 1.00 0.00 C ATOM 1463 O LYS A 98 7.561 -18.024 -7.983 1.00 0.00 O ATOM 1464 CB LYS A 98 5.456 -19.738 -8.123 1.00 0.00 C ATOM 1465 CG LYS A 98 4.278 -20.562 -7.632 1.00 0.00 C ATOM 1466 CD LYS A 98 4.592 -22.048 -7.647 1.00 0.00 C ATOM 1467 CE LYS A 98 3.325 -22.885 -7.732 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.501 -24.225 -7.107 1.00 0.00 N ATOM 0 H LYS A 98 3.351 -17.769 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 98 4.644 -17.943 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.734 -20.077 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.312 -19.921 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.015 -20.255 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.409 -20.367 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.237 -22.276 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.145 -22.313 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.508 -22.359 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.040 -23.007 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.615 -24.764 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.263 -24.738 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.748 -24.110 -6.103 1.00 0.00 H new ATOM 1482 N ALA A 99 6.405 -16.175 -8.536 1.00 0.00 N ATOM 1483 CA ALA A 99 7.587 -15.327 -8.618 1.00 0.00 C ATOM 1484 C ALA A 99 7.511 -14.180 -7.617 1.00 0.00 C ATOM 1485 O ALA A 99 6.785 -13.204 -7.809 1.00 0.00 O ATOM 1486 CB ALA A 99 7.753 -14.787 -10.031 1.00 0.00 C ATOM 0 H ALA A 99 5.527 -15.696 -8.738 1.00 0.00 H new ATOM 0 HA ALA A 99 8.457 -15.935 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.640 -14.155 -10.077 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.863 -15.618 -10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.875 -14.200 -10.302 1.00 0.00 H new ATOM 1492 N PRO A 100 8.275 -14.297 -6.521 1.00 0.00 N ATOM 1493 CA PRO A 100 8.311 -13.278 -5.468 1.00 0.00 C ATOM 1494 C PRO A 100 8.993 -11.994 -5.926 1.00 0.00 C ATOM 1495 O PRO A 100 10.216 -11.866 -5.847 1.00 0.00 O ATOM 1496 CB PRO A 100 9.122 -13.946 -4.355 1.00 0.00 C ATOM 1497 CG PRO A 100 9.974 -14.947 -5.056 1.00 0.00 C ATOM 1498 CD PRO A 100 9.165 -15.433 -6.227 1.00 0.00 C ATOM 0 HA PRO A 100 7.310 -12.974 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.728 -13.218 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.471 -14.424 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.910 -14.498 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.234 -15.772 -4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.799 -15.678 -7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.601 -16.332 -5.980 1.00 0.00 H new ATOM 1506 N LEU A 101 8.197 -11.044 -6.405 1.00 0.00 N ATOM 1507 CA LEU A 101 8.724 -9.768 -6.876 1.00 0.00 C ATOM 1508 C LEU A 101 8.558 -8.685 -5.815 1.00 0.00 C ATOM 1509 O LEU A 101 8.109 -8.957 -4.701 1.00 0.00 O ATOM 1510 CB LEU A 101 8.019 -9.347 -8.166 1.00 0.00 C ATOM 1511 CG LEU A 101 8.666 -9.818 -9.469 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.032 -9.174 -9.650 1.00 0.00 C ATOM 1513 CD2 LEU A 101 8.783 -11.335 -9.489 1.00 0.00 C ATOM 0 H LEU A 101 7.184 -11.134 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 101 9.788 -9.894 -7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.996 -9.721 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.960 -8.259 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 101 8.030 -9.512 -10.299 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.477 -9.521 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.922 -8.090 -9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.677 -9.449 -8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.246 -11.652 -10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.397 -11.664 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.790 -11.778 -9.407 1.00 0.00 H new ATOM 1525 N ARG A 102 8.920 -7.457 -6.169 1.00 0.00 N ATOM 1526 CA ARG A 102 8.810 -6.332 -5.247 1.00 0.00 C ATOM 1527 C ARG A 102 7.673 -5.402 -5.659 1.00 0.00 C ATOM 1528 O ARG A 102 7.049 -5.591 -6.704 1.00 0.00 O ATOM 1529 CB ARG A 102 10.126 -5.555 -5.198 1.00 0.00 C ATOM 1530 CG ARG A 102 10.478 -4.867 -6.507 1.00 0.00 C ATOM 1531 CD ARG A 102 11.268 -5.787 -7.425 1.00 0.00 C ATOM 1532 NE ARG A 102 12.193 -5.046 -8.278 1.00 0.00 N ATOM 1533 CZ ARG A 102 11.805 -4.275 -9.287 1.00 0.00 C ATOM 1534 NH1 ARG A 102 10.516 -4.144 -9.568 1.00 0.00 N ATOM 1535 NH2 ARG A 102 12.707 -3.632 -10.018 1.00 0.00 N ATOM 0 H ARG A 102 9.292 -7.215 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 102 8.592 -6.727 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.066 -4.806 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.931 -6.238 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.564 -4.548 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.060 -3.968 -6.302 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.825 -6.506 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.579 -6.357 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 102 13.192 -5.125 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.819 -4.636 -9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.221 -3.551 -10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.700 -3.730 -9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.408 -3.040 -10.793 1.00 0.00 H new ATOM 1549 N LEU A 103 7.408 -4.397 -4.831 1.00 0.00 N ATOM 1550 CA LEU A 103 6.346 -3.437 -5.108 1.00 0.00 C ATOM 1551 C LEU A 103 6.860 -2.006 -4.989 1.00 0.00 C ATOM 1552 O LEU A 103 7.568 -1.666 -4.040 1.00 0.00 O ATOM 1553 CB LEU A 103 5.174 -3.652 -4.148 1.00 0.00 C ATOM 1554 CG LEU A 103 4.080 -2.584 -4.176 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.054 -2.898 -5.254 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.408 -2.474 -2.815 1.00 0.00 C ATOM 0 H LEU A 103 7.914 -4.226 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 103 6.004 -3.596 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.718 -4.616 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.568 -3.714 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 103 4.542 -1.625 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.284 -2.127 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.545 -2.926 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.597 -3.866 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.632 -1.709 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.960 -3.432 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.150 -2.201 -2.064 1.00 0.00 H new ATOM 1568 N LYS A 104 6.498 -1.170 -5.955 1.00 0.00 N ATOM 1569 CA LYS A 104 6.919 0.226 -5.958 1.00 0.00 C ATOM 1570 C LYS A 104 5.808 1.131 -5.435 1.00 0.00 C ATOM 1571 O LYS A 104 4.793 1.335 -6.102 1.00 0.00 O ATOM 1572 CB LYS A 104 7.319 0.657 -7.371 1.00 0.00 C ATOM 1573 CG LYS A 104 7.770 2.104 -7.461 1.00 0.00 C ATOM 1574 CD LYS A 104 8.161 2.480 -8.880 1.00 0.00 C ATOM 1575 CE LYS A 104 9.013 3.739 -8.910 1.00 0.00 C ATOM 1576 NZ LYS A 104 9.140 4.291 -10.287 1.00 0.00 N ATOM 0 H LYS A 104 5.913 -1.435 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 104 7.781 0.320 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.123 0.012 -7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.472 0.507 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.968 2.758 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.618 2.264 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.710 1.657 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.262 2.634 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.572 4.492 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.004 3.516 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.728 5.148 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.584 3.583 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.196 4.528 -10.654 1.00 0.00 H new ATOM 1590 N LEU A 105 6.007 1.672 -4.238 1.00 0.00 N ATOM 1591 CA LEU A 105 5.022 2.557 -3.625 1.00 0.00 C ATOM 1592 C LEU A 105 5.404 4.019 -3.827 1.00 0.00 C ATOM 1593 O LEU A 105 6.566 4.394 -3.673 1.00 0.00 O ATOM 1594 CB LEU A 105 4.893 2.253 -2.131 1.00 0.00 C ATOM 1595 CG LEU A 105 4.126 0.981 -1.769 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.348 0.621 -0.308 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.642 1.152 -2.059 1.00 0.00 C ATOM 0 H LEU A 105 6.841 1.514 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 105 4.061 2.381 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.895 2.182 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.402 3.099 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 105 4.504 0.164 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.794 -0.287 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.411 0.455 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.998 1.437 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.112 0.237 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.249 1.981 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.500 1.361 -3.119 1.00 0.00 H new ATOM 1609 N ARG A 106 4.418 4.841 -4.170 1.00 0.00 N ATOM 1610 CA ARG A 106 4.651 6.263 -4.392 1.00 0.00 C ATOM 1611 C ARG A 106 3.653 7.107 -3.604 1.00 0.00 C ATOM 1612 O ARG A 106 2.478 7.198 -3.965 1.00 0.00 O ATOM 1613 CB ARG A 106 4.548 6.592 -5.882 1.00 0.00 C ATOM 1614 CG ARG A 106 4.491 8.083 -6.175 1.00 0.00 C ATOM 1615 CD ARG A 106 5.076 8.406 -7.541 1.00 0.00 C ATOM 1616 NE ARG A 106 4.070 8.337 -8.597 1.00 0.00 N ATOM 1617 CZ ARG A 106 3.226 9.325 -8.873 1.00 0.00 C ATOM 1618 NH1 ARG A 106 3.267 10.451 -8.175 1.00 0.00 N ATOM 1619 NH2 ARG A 106 2.339 9.187 -9.850 1.00 0.00 N ATOM 0 H ARG A 106 3.450 4.547 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 106 5.656 6.499 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.405 6.161 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.656 6.116 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.457 8.424 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.039 8.627 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.513 9.404 -7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.884 7.709 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 106 4.012 7.484 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.948 10.561 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.618 11.208 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.305 8.322 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.691 9.946 -10.062 1.00 0.00 H new ATOM 1633 N LEU A 107 4.127 7.722 -2.526 1.00 0.00 N ATOM 1634 CA LEU A 107 3.277 8.558 -1.686 1.00 0.00 C ATOM 1635 C LEU A 107 3.440 10.032 -2.043 1.00 0.00 C ATOM 1636 O LEU A 107 4.555 10.552 -2.089 1.00 0.00 O ATOM 1637 CB LEU A 107 3.613 8.340 -0.210 1.00 0.00 C ATOM 1638 CG LEU A 107 3.608 6.888 0.272 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.053 6.806 1.724 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.226 6.274 0.101 1.00 0.00 C ATOM 0 H LEU A 107 5.096 7.657 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 107 2.240 8.272 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.599 8.763 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.900 8.904 0.391 1.00 0.00 H new ATOM 0 HG LEU A 107 4.314 6.321 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.043 5.766 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.062 7.206 1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.373 7.387 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.241 5.241 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.501 6.842 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.945 6.298 -0.952 1.00 0.00 H new ATOM 1652 N THR A 108 2.319 10.702 -2.294 1.00 0.00 N ATOM 1653 CA THR A 108 2.337 12.117 -2.646 1.00 0.00 C ATOM 1654 C THR A 108 1.157 12.853 -2.021 1.00 0.00 C ATOM 1655 O THR A 108 0.003 12.609 -2.375 1.00 0.00 O ATOM 1656 CB THR A 108 2.302 12.316 -4.172 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.308 11.466 -4.755 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.660 12.014 -4.789 1.00 0.00 C ATOM 0 H THR A 108 1.388 10.288 -2.260 1.00 0.00 H new ATOM 0 HA THR A 108 3.267 12.529 -2.255 1.00 0.00 H new ATOM 0 HB THR A 108 2.052 13.358 -4.374 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.497 11.486 -4.205 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.610 12.162 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.409 12.683 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.935 10.981 -4.576 1.00 0.00 H new ATOM 1666 N TYR A 109 1.453 13.755 -1.093 1.00 0.00 N ATOM 1667 CA TYR A 109 0.416 14.527 -0.418 1.00 0.00 C ATOM 1668 C TYR A 109 0.975 15.842 0.116 1.00 0.00 C ATOM 1669 O TYR A 109 2.170 16.115 -0.002 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.189 13.714 0.728 1.00 0.00 C ATOM 1671 CG TYR A 109 0.825 13.275 1.760 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.519 14.207 2.521 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.088 11.927 1.974 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.447 13.809 3.465 1.00 0.00 C ATOM 1675 CE2 TYR A 109 2.013 11.521 2.916 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.690 12.466 3.658 1.00 0.00 C ATOM 1677 OH TYR A 109 3.613 12.066 4.598 1.00 0.00 O ATOM 0 H TYR A 109 2.403 13.970 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.363 14.754 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.959 14.310 1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.681 12.833 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.330 15.260 2.373 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.560 11.185 1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.979 14.546 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.205 10.470 3.071 1.00 0.00 H new ATOM 0 HH TYR A 109 3.665 11.087 4.610 1.00 0.00 H new ATOM 1687 N ASP A 110 0.103 16.653 0.703 1.00 0.00 N ATOM 1688 CA ASP A 110 0.508 17.939 1.258 1.00 0.00 C ATOM 1689 C ASP A 110 0.436 17.922 2.782 1.00 0.00 C ATOM 1690 O ASP A 110 -0.592 17.568 3.361 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.377 19.058 0.706 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.620 18.922 -0.784 1.00 0.00 C ATOM 1693 OD1 ASP A 110 0.365 18.951 -1.551 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -1.796 18.789 -1.184 1.00 0.00 O ATOM 0 H ASP A 110 -0.890 16.443 0.807 1.00 0.00 H new ATOM 0 HA ASP A 110 1.541 18.124 0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.333 19.052 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 110 0.092 20.021 0.908 1.00 0.00 H new ATOM 1699 N HIS A 111 1.534 18.304 3.426 1.00 0.00 N ATOM 1700 CA HIS A 111 1.595 18.331 4.883 1.00 0.00 C ATOM 1701 C HIS A 111 2.113 19.678 5.380 1.00 0.00 C ATOM 1702 O HIS A 111 2.976 20.292 4.752 1.00 0.00 O ATOM 1703 CB HIS A 111 2.491 17.205 5.398 1.00 0.00 C ATOM 1704 CG HIS A 111 2.099 16.699 6.752 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.935 15.941 7.543 1.00 0.00 N ATOM 1706 CD2 HIS A 111 0.951 16.847 7.453 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.319 15.643 8.673 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.113 16.181 8.644 1.00 0.00 N ATOM 0 H HIS A 111 2.393 18.599 2.962 1.00 0.00 H new ATOM 0 HA HIS A 111 0.585 18.186 5.267 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.465 16.378 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.521 17.560 5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.072 17.388 7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.731 15.059 9.483 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.415 16.113 9.385 1.00 0.00 H new ATOM 1716 N PHE A 112 1.580 20.131 6.509 1.00 0.00 N ATOM 1717 CA PHE A 112 1.988 21.405 7.089 1.00 0.00 C ATOM 1718 C PHE A 112 2.249 22.440 5.999 1.00 0.00 C ATOM 1719 O PHE A 112 3.229 23.185 6.056 1.00 0.00 O ATOM 1720 CB PHE A 112 3.243 21.222 7.946 1.00 0.00 C ATOM 1721 CG PHE A 112 2.960 20.668 9.313 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.337 21.446 10.275 1.00 0.00 C ATOM 1723 CD2 PHE A 112 3.315 19.368 9.635 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.077 20.939 11.534 1.00 0.00 C ATOM 1725 CE2 PHE A 112 3.057 18.855 10.892 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.436 19.641 11.842 1.00 0.00 C ATOM 0 H PHE A 112 0.865 19.635 7.041 1.00 0.00 H new ATOM 0 HA PHE A 112 1.175 21.765 7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.933 20.555 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.746 22.183 8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.051 22.460 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.799 18.748 8.895 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.594 21.557 12.276 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.341 17.841 11.131 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.231 19.242 12.824 1.00 0.00 H new ATOM 1736 N HIS A 113 1.366 22.481 5.006 1.00 0.00 N ATOM 1737 CA HIS A 113 1.501 23.425 3.902 1.00 0.00 C ATOM 1738 C HIS A 113 2.813 23.204 3.155 1.00 0.00 C ATOM 1739 O HIS A 113 3.566 24.147 2.915 1.00 0.00 O ATOM 1740 CB HIS A 113 1.431 24.862 4.420 1.00 0.00 C ATOM 1741 CG HIS A 113 0.081 25.244 4.943 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -0.954 25.652 4.129 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.401 25.278 6.208 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -2.014 25.922 4.870 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.705 25.702 6.135 1.00 0.00 N ATOM 0 H HIS A 113 0.550 21.872 4.943 1.00 0.00 H new ATOM 0 HA HIS A 113 0.676 23.256 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.168 24.990 5.212 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.706 25.544 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.139 25.020 7.107 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -2.970 26.264 4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.333 25.827 6.929 1.00 0.00 H new ATOM 1753 N GLN A 114 3.079 21.953 2.793 1.00 0.00 N ATOM 1754 CA GLN A 114 4.301 21.609 2.075 1.00 0.00 C ATOM 1755 C GLN A 114 4.085 20.390 1.185 1.00 0.00 C ATOM 1756 O GLN A 114 3.359 19.464 1.549 1.00 0.00 O ATOM 1757 CB GLN A 114 5.438 21.340 3.062 1.00 0.00 C ATOM 1758 CG GLN A 114 6.480 20.366 2.538 1.00 0.00 C ATOM 1759 CD GLN A 114 7.707 20.290 3.425 1.00 0.00 C ATOM 1760 OE1 GLN A 114 7.626 20.500 4.636 1.00 0.00 O ATOM 1761 NE2 GLN A 114 8.854 19.990 2.826 1.00 0.00 N ATOM 0 H GLN A 114 2.465 21.161 2.985 1.00 0.00 H new ATOM 0 HA GLN A 114 4.571 22.454 1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.926 22.283 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.019 20.947 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.035 19.374 2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.780 20.667 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.876 19.824 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.713 19.926 3.372 1.00 0.00 H new ATOM 1770 N SER A 115 4.719 20.396 0.017 1.00 0.00 N ATOM 1771 CA SER A 115 4.592 19.292 -0.927 1.00 0.00 C ATOM 1772 C SER A 115 5.461 18.112 -0.503 1.00 0.00 C ATOM 1773 O SER A 115 6.686 18.153 -0.624 1.00 0.00 O ATOM 1774 CB SER A 115 4.984 19.749 -2.334 1.00 0.00 C ATOM 1775 OG SER A 115 6.301 20.271 -2.352 1.00 0.00 O ATOM 0 H SER A 115 5.326 21.153 -0.298 1.00 0.00 H new ATOM 0 HA SER A 115 3.551 18.970 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.913 18.909 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.284 20.508 -2.681 1.00 0.00 H new ATOM 0 HG SER A 115 6.872 19.740 -1.758 1.00 0.00 H new ATOM 1781 N VAL A 116 4.818 17.061 -0.005 1.00 0.00 N ATOM 1782 CA VAL A 116 5.531 15.868 0.437 1.00 0.00 C ATOM 1783 C VAL A 116 5.513 14.788 -0.639 1.00 0.00 C ATOM 1784 O VAL A 116 4.452 14.295 -1.020 1.00 0.00 O ATOM 1785 CB VAL A 116 4.922 15.298 1.732 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.670 14.047 2.168 1.00 0.00 C ATOM 1787 CG2 VAL A 116 4.933 16.348 2.833 1.00 0.00 C ATOM 0 H VAL A 116 3.805 17.011 0.103 1.00 0.00 H new ATOM 0 HA VAL A 116 6.561 16.167 0.630 1.00 0.00 H new ATOM 0 HB VAL A 116 3.886 15.022 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.226 13.658 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.604 13.292 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.717 14.293 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.499 15.928 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.959 16.657 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.348 17.212 2.518 1.00 0.00 H new ATOM 1797 N GLN A 117 6.696 14.424 -1.123 1.00 0.00 N ATOM 1798 CA GLN A 117 6.817 13.401 -2.156 1.00 0.00 C ATOM 1799 C GLN A 117 7.880 12.373 -1.783 1.00 0.00 C ATOM 1800 O GLN A 117 9.076 12.652 -1.853 1.00 0.00 O ATOM 1801 CB GLN A 117 7.160 14.043 -3.501 1.00 0.00 C ATOM 1802 CG GLN A 117 7.198 13.054 -4.655 1.00 0.00 C ATOM 1803 CD GLN A 117 7.045 13.726 -6.005 1.00 0.00 C ATOM 1804 OE1 GLN A 117 6.013 14.330 -6.297 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.075 13.624 -6.837 1.00 0.00 N ATOM 0 H GLN A 117 7.584 14.822 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 117 5.858 12.890 -2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.426 14.818 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.130 14.535 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.141 12.508 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.402 12.321 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.911 13.114 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.030 14.056 -7.760 1.00 0.00 H new ATOM 1814 N GLU A 118 7.434 11.186 -1.386 1.00 0.00 N ATOM 1815 CA GLU A 118 8.349 10.117 -1.000 1.00 0.00 C ATOM 1816 C GLU A 118 8.041 8.835 -1.768 1.00 0.00 C ATOM 1817 O GLU A 118 6.968 8.250 -1.616 1.00 0.00 O ATOM 1818 CB GLU A 118 8.260 9.857 0.505 1.00 0.00 C ATOM 1819 CG GLU A 118 8.983 10.896 1.346 1.00 0.00 C ATOM 1820 CD GLU A 118 10.472 10.939 1.066 1.00 0.00 C ATOM 1821 OE1 GLU A 118 11.069 9.861 0.860 1.00 0.00 O ATOM 1822 OE2 GLU A 118 11.041 12.050 1.053 1.00 0.00 O ATOM 0 H GLU A 118 6.446 10.940 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 118 9.362 10.434 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.211 9.830 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.677 8.873 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.552 11.878 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.822 10.680 2.402 1.00 0.00 H new ATOM 1829 N ILE A 119 8.990 8.404 -2.593 1.00 0.00 N ATOM 1830 CA ILE A 119 8.821 7.191 -3.384 1.00 0.00 C ATOM 1831 C ILE A 119 9.831 6.124 -2.976 1.00 0.00 C ATOM 1832 O ILE A 119 11.029 6.261 -3.226 1.00 0.00 O ATOM 1833 CB ILE A 119 8.971 7.476 -4.890 1.00 0.00 C ATOM 1834 CG1 ILE A 119 7.924 8.495 -5.345 1.00 0.00 C ATOM 1835 CG2 ILE A 119 8.846 6.187 -5.688 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.316 9.929 -5.068 1.00 0.00 C ATOM 0 H ILE A 119 9.883 8.877 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 119 7.812 6.826 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 119 9.961 7.896 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.752 8.374 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.980 8.282 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.954 6.405 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.626 5.491 -5.379 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.868 5.740 -5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.527 10.596 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.460 10.066 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.244 10.160 -5.591 1.00 0.00 H new ATOM 1848 N PHE A 120 9.340 5.061 -2.349 1.00 0.00 N ATOM 1849 CA PHE A 120 10.200 3.969 -1.908 1.00 0.00 C ATOM 1850 C PHE A 120 9.653 2.623 -2.375 1.00 0.00 C ATOM 1851 O PHE A 120 8.454 2.477 -2.610 1.00 0.00 O ATOM 1852 CB PHE A 120 10.329 3.977 -0.383 1.00 0.00 C ATOM 1853 CG PHE A 120 9.007 3.974 0.330 1.00 0.00 C ATOM 1854 CD1 PHE A 120 8.373 2.781 0.636 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.399 5.165 0.695 1.00 0.00 C ATOM 1856 CE1 PHE A 120 7.157 2.774 1.293 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.183 5.164 1.352 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.561 3.968 1.650 1.00 0.00 C ATOM 0 H PHE A 120 8.351 4.932 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 120 11.185 4.115 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.903 3.105 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.895 4.857 -0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.834 1.845 0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.881 6.104 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.674 1.837 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.720 6.098 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.610 3.966 2.162 1.00 0.00 H new ATOM 1868 N GLU A 121 10.543 1.644 -2.509 1.00 0.00 N ATOM 1869 CA GLU A 121 10.149 0.311 -2.950 1.00 0.00 C ATOM 1870 C GLU A 121 10.393 -0.720 -1.851 1.00 0.00 C ATOM 1871 O GLU A 121 11.529 -0.934 -1.426 1.00 0.00 O ATOM 1872 CB GLU A 121 10.920 -0.081 -4.212 1.00 0.00 C ATOM 1873 CG GLU A 121 10.928 0.999 -5.280 1.00 0.00 C ATOM 1874 CD GLU A 121 12.060 0.828 -6.275 1.00 0.00 C ATOM 1875 OE1 GLU A 121 13.226 1.060 -5.892 1.00 0.00 O ATOM 1876 OE2 GLU A 121 11.780 0.462 -7.436 1.00 0.00 O ATOM 0 H GLU A 121 11.540 1.749 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 121 9.083 0.331 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.948 -0.319 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.482 -0.988 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.977 0.986 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.013 1.976 -4.803 1.00 0.00 H new ATOM 1883 N VAL A 122 9.319 -1.355 -1.394 1.00 0.00 N ATOM 1884 CA VAL A 122 9.415 -2.363 -0.346 1.00 0.00 C ATOM 1885 C VAL A 122 10.162 -3.598 -0.837 1.00 0.00 C ATOM 1886 O VAL A 122 9.685 -4.316 -1.715 1.00 0.00 O ATOM 1887 CB VAL A 122 8.021 -2.786 0.156 1.00 0.00 C ATOM 1888 CG1 VAL A 122 8.141 -3.654 1.399 1.00 0.00 C ATOM 1889 CG2 VAL A 122 7.160 -1.562 0.431 1.00 0.00 C ATOM 0 H VAL A 122 8.372 -1.189 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 122 9.968 -1.911 0.477 1.00 0.00 H new ATOM 0 HB VAL A 122 7.537 -3.375 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.146 -3.943 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.718 -4.548 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.645 -3.094 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.179 -1.879 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.638 -0.945 1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.046 -0.984 -0.486 1.00 0.00 H new ATOM 1899 N ASN A 123 11.337 -3.839 -0.264 1.00 0.00 N ATOM 1900 CA ASN A 123 12.152 -4.987 -0.644 1.00 0.00 C ATOM 1901 C ASN A 123 12.205 -6.013 0.483 1.00 0.00 C ATOM 1902 O ASN A 123 12.707 -7.122 0.304 1.00 0.00 O ATOM 1903 CB ASN A 123 13.568 -4.537 -1.006 1.00 0.00 C ATOM 1904 CG ASN A 123 14.326 -3.994 0.190 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.166 -2.833 0.566 1.00 0.00 O ATOM 1906 ND2 ASN A 123 15.157 -4.835 0.795 1.00 0.00 N ATOM 0 H ASN A 123 11.746 -3.255 0.465 1.00 0.00 H new ATOM 0 HA ASN A 123 11.693 -5.454 -1.515 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.117 -5.379 -1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.516 -3.770 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.694 -4.527 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.258 -5.789 0.449 1.00 0.00 H new ATOM 1913 N ASN A 124 11.682 -5.635 1.646 1.00 0.00 N ATOM 1914 CA ASN A 124 11.670 -6.522 2.803 1.00 0.00 C ATOM 1915 C ASN A 124 10.309 -7.195 2.958 1.00 0.00 C ATOM 1916 O ASN A 124 9.824 -7.390 4.074 1.00 0.00 O ATOM 1917 CB ASN A 124 12.013 -5.741 4.074 1.00 0.00 C ATOM 1918 CG ASN A 124 10.828 -4.964 4.612 1.00 0.00 C ATOM 1919 OD1 ASN A 124 9.966 -4.520 3.853 1.00 0.00 O ATOM 1920 ND2 ASN A 124 10.780 -4.794 5.928 1.00 0.00 N ATOM 0 H ASN A 124 11.261 -4.721 1.811 1.00 0.00 H new ATOM 0 HA ASN A 124 12.422 -7.295 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.367 -6.433 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 124 12.831 -5.052 3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 124 10.007 -4.278 6.348 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.516 -5.179 6.519 1.00 0.00 H new ATOM 1927 N LEU A 125 9.699 -7.549 1.833 1.00 0.00 N ATOM 1928 CA LEU A 125 8.394 -8.201 1.842 1.00 0.00 C ATOM 1929 C LEU A 125 8.481 -9.583 2.483 1.00 0.00 C ATOM 1930 O LEU A 125 9.531 -10.227 2.488 1.00 0.00 O ATOM 1931 CB LEU A 125 7.851 -8.320 0.417 1.00 0.00 C ATOM 1932 CG LEU A 125 7.454 -7.009 -0.261 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.398 -7.185 -1.771 1.00 0.00 C ATOM 1934 CD2 LEU A 125 6.115 -6.518 0.270 1.00 0.00 C ATOM 0 H LEU A 125 10.087 -7.396 0.902 1.00 0.00 H new ATOM 0 HA LEU A 125 7.713 -7.589 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.606 -8.810 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.980 -8.975 0.435 1.00 0.00 H new ATOM 0 HG LEU A 125 8.211 -6.259 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.114 -6.242 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.378 -7.490 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.662 -7.949 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.848 -5.584 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.348 -7.266 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.189 -6.352 1.345 1.00 0.00 H new ATOM 1946 N PRO A 126 7.352 -10.052 3.034 1.00 0.00 N ATOM 1947 CA PRO A 126 7.274 -11.363 3.685 1.00 0.00 C ATOM 1948 C PRO A 126 7.380 -12.512 2.688 1.00 0.00 C ATOM 1949 O PRO A 126 7.185 -12.326 1.487 1.00 0.00 O ATOM 1950 CB PRO A 126 5.892 -11.352 4.342 1.00 0.00 C ATOM 1951 CG PRO A 126 5.095 -10.389 3.531 1.00 0.00 C ATOM 1952 CD PRO A 126 6.064 -9.339 3.065 1.00 0.00 C ATOM 0 HA PRO A 126 8.093 -11.518 4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.442 -12.345 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.951 -11.038 5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.624 -10.888 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.296 -9.946 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.795 -8.952 2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 126 6.092 -8.488 3.746 1.00 0.00 H new ATOM 1960 N VAL A 127 7.691 -13.702 3.194 1.00 0.00 N ATOM 1961 CA VAL A 127 7.821 -14.882 2.348 1.00 0.00 C ATOM 1962 C VAL A 127 6.462 -15.515 2.075 1.00 0.00 C ATOM 1963 O VAL A 127 6.168 -15.916 0.949 1.00 0.00 O ATOM 1964 CB VAL A 127 8.745 -15.934 2.990 1.00 0.00 C ATOM 1965 CG1 VAL A 127 8.126 -16.481 4.267 1.00 0.00 C ATOM 1966 CG2 VAL A 127 9.038 -17.057 2.006 1.00 0.00 C ATOM 0 H VAL A 127 7.857 -13.874 4.186 1.00 0.00 H new ATOM 0 HA VAL A 127 8.259 -14.550 1.407 1.00 0.00 H new ATOM 0 HB VAL A 127 9.688 -15.454 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 127 8.793 -17.223 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 127 7.973 -15.666 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 127 7.168 -16.946 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.692 -17.791 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.104 -17.537 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 127 9.528 -16.648 1.122 1.00 0.00 H new ATOM 1976 N GLU A 128 5.636 -15.602 3.113 1.00 0.00 N ATOM 1977 CA GLU A 128 4.306 -16.187 2.984 1.00 0.00 C ATOM 1978 C GLU A 128 3.545 -15.558 1.821 1.00 0.00 C ATOM 1979 O GLU A 128 2.901 -16.254 1.037 1.00 0.00 O ATOM 1980 CB GLU A 128 3.517 -16.007 4.282 1.00 0.00 C ATOM 1981 CG GLU A 128 3.783 -17.091 5.312 1.00 0.00 C ATOM 1982 CD GLU A 128 3.070 -18.390 4.989 1.00 0.00 C ATOM 1983 OE1 GLU A 128 3.467 -19.056 4.010 1.00 0.00 O ATOM 1984 OE2 GLU A 128 2.117 -18.741 5.715 1.00 0.00 O ATOM 0 H GLU A 128 5.864 -15.275 4.052 1.00 0.00 H new ATOM 0 HA GLU A 128 4.424 -17.252 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.763 -15.038 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.452 -15.991 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 128 4.856 -17.275 5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.464 -16.740 6.294 1.00 0.00 H new ATOM 1991 N SER A 129 3.624 -14.235 1.717 1.00 0.00 N ATOM 1992 CA SER A 129 2.939 -13.510 0.653 1.00 0.00 C ATOM 1993 C SER A 129 2.934 -14.319 -0.640 1.00 0.00 C ATOM 1994 O SER A 129 1.921 -14.389 -1.337 1.00 0.00 O ATOM 1995 CB SER A 129 3.611 -12.155 0.416 1.00 0.00 C ATOM 1996 OG SER A 129 5.016 -12.295 0.304 1.00 0.00 O ATOM 0 H SER A 129 4.155 -13.644 2.356 1.00 0.00 H new ATOM 0 HA SER A 129 1.907 -13.348 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 129 3.214 -11.703 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.374 -11.479 1.238 1.00 0.00 H new ATOM 0 HG SER A 129 5.424 -12.225 1.193 1.00 0.00 H new ATOM 2002 N TRP A 130 4.071 -14.929 -0.954 1.00 0.00 N ATOM 2003 CA TRP A 130 4.198 -15.735 -2.163 1.00 0.00 C ATOM 2004 C TRP A 130 4.075 -17.220 -1.843 1.00 0.00 C ATOM 2005 O TRP A 130 3.449 -17.974 -2.588 1.00 0.00 O ATOM 2006 CB TRP A 130 5.537 -15.457 -2.847 1.00 0.00 C ATOM 2007 CG TRP A 130 6.720 -15.900 -2.040 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.545 -15.109 -1.293 1.00 0.00 C ATOM 2009 CD2 TRP A 130 7.210 -17.238 -1.901 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.518 -15.875 -0.697 1.00 0.00 N ATOM 2011 CE2 TRP A 130 8.334 -17.184 -1.054 1.00 0.00 C ATOM 2012 CE3 TRP A 130 6.807 -18.477 -2.407 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 9.058 -18.321 -0.705 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 7.527 -19.604 -2.060 1.00 0.00 C ATOM 2015 CH2 TRP A 130 8.642 -19.520 -1.215 1.00 0.00 C ATOM 0 H TRP A 130 4.918 -14.881 -0.388 1.00 0.00 H new ATOM 0 HA TRP A 130 3.389 -15.461 -2.839 1.00 0.00 H new ATOM 0 HB2 TRP A 130 5.555 -15.962 -3.813 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.621 -14.388 -3.045 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.447 -14.039 -1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.257 -15.525 -0.088 1.00 0.00 H new ATOM 0 HE3 TRP A 130 5.948 -18.552 -3.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 9.918 -18.258 -0.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 7.225 -20.566 -2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 130 9.183 -20.420 -0.962 1.00 0.00 H new ATOM 2026 N GLN A 131 4.675 -17.633 -0.731 1.00 0.00 N ATOM 2027 CA GLN A 131 4.631 -19.030 -0.314 1.00 0.00 C ATOM 2028 C GLN A 131 3.230 -19.418 0.145 1.00 0.00 C ATOM 2029 O GLN A 131 2.902 -19.317 1.328 1.00 0.00 O ATOM 2030 CB GLN A 131 5.637 -19.280 0.811 1.00 0.00 C ATOM 2031 CG GLN A 131 5.632 -20.710 1.325 1.00 0.00 C ATOM 2032 CD GLN A 131 6.893 -21.060 2.090 1.00 0.00 C ATOM 2033 OE1 GLN A 131 6.864 -21.247 3.306 1.00 0.00 O ATOM 2034 NE2 GLN A 131 8.011 -21.151 1.379 1.00 0.00 N ATOM 0 H GLN A 131 5.197 -17.021 -0.103 1.00 0.00 H new ATOM 0 HA GLN A 131 4.895 -19.647 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 131 6.637 -19.035 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 131 5.419 -18.605 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 131 4.767 -20.856 1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 131 5.520 -21.394 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 131 7.990 -20.988 0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 131 8.891 -21.384 1.840 1.00 0.00 H new