USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 682 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 80 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 ASN :FLIP amide:sc= -0.672 F(o=-2!,f=-0.67) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 0 X(o=-0.67,f=-0.67) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= -0.278 (180deg=-0.695) USER MOD Single : A 29 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.69!) USER MOD Single : A 30 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-4.4!) USER MOD Single : A 33 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0581 X(o=-0.058,f=-0.0029) USER MOD Single : A 44 GLN : amide:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.19) USER MOD Single : A 54 ASN : amide:sc= -0.447 K(o=-0.45,f=-1.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 36:sc= -1.3 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.166 K(o=-0.17,f=-0.77) USER MOD Single : A 65 SER OG : rot -130:sc= -0.702 USER MOD Single : A 67 HIS :FLIP no HD1:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 11:sc= 0.11 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 131 N GLY A 11 -10.113 1.638 -5.320 1.00 0.00 N ATOM 132 CA GLY A 11 -8.800 2.098 -4.908 1.00 0.00 C ATOM 133 C GLY A 11 -8.114 2.923 -5.977 1.00 0.00 C ATOM 134 O GLY A 11 -8.730 3.273 -6.986 1.00 0.00 O ATOM 0 HA2 GLY A 11 -8.895 2.693 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.178 1.238 -4.662 1.00 0.00 H new ATOM 138 N ILE A 12 -6.837 3.241 -5.760 1.00 0.00 N ATOM 139 CA ILE A 12 -6.082 4.036 -6.723 1.00 0.00 C ATOM 140 C ILE A 12 -5.254 3.154 -7.653 1.00 0.00 C ATOM 141 O ILE A 12 -4.983 1.990 -7.351 1.00 0.00 O ATOM 142 CB ILE A 12 -5.141 5.038 -6.028 1.00 0.00 C ATOM 143 CG1 ILE A 12 -4.126 4.292 -5.151 1.00 0.00 C ATOM 144 CG2 ILE A 12 -5.942 6.054 -5.223 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.374 4.415 -3.662 1.00 0.00 C ATOM 0 H ILE A 12 -6.310 2.962 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.821 4.585 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.585 5.588 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.137 3.236 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.127 4.668 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.260 6.754 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.610 6.600 -5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.529 5.536 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.611 3.858 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.333 5.465 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.358 4.011 -3.422 1.00 0.00 H new ATOM 157 N SER A 13 -4.855 3.728 -8.783 1.00 0.00 N ATOM 158 CA SER A 13 -4.053 3.019 -9.774 1.00 0.00 C ATOM 159 C SER A 13 -2.563 3.192 -9.496 1.00 0.00 C ATOM 160 O SER A 13 -2.143 4.200 -8.919 1.00 0.00 O ATOM 161 CB SER A 13 -4.371 3.542 -11.173 1.00 0.00 C ATOM 162 OG SER A 13 -5.340 2.732 -11.815 1.00 0.00 O ATOM 0 H SER A 13 -5.076 4.691 -9.037 1.00 0.00 H new ATOM 0 HA SER A 13 -4.299 1.959 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.736 4.567 -11.107 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.460 3.566 -11.771 1.00 0.00 H new ATOM 0 HG SER A 13 -5.526 3.090 -12.708 1.00 0.00 H new ATOM 168 N VAL A 14 -1.762 2.222 -9.941 1.00 0.00 N ATOM 169 CA VAL A 14 -0.316 2.290 -9.764 1.00 0.00 C ATOM 170 C VAL A 14 0.254 3.458 -10.568 1.00 0.00 C ATOM 171 O VAL A 14 1.337 3.965 -10.269 1.00 0.00 O ATOM 172 CB VAL A 14 0.385 0.983 -10.187 1.00 0.00 C ATOM 173 CG1 VAL A 14 0.129 0.680 -11.655 1.00 0.00 C ATOM 174 CG2 VAL A 14 1.878 1.060 -9.900 1.00 0.00 C ATOM 0 H VAL A 14 -2.091 1.386 -10.424 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.127 2.440 -8.701 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.033 0.166 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.634 -0.246 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.943 0.573 -11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.512 1.496 -12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.356 0.129 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.313 1.890 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.036 1.216 -8.833 1.00 0.00 H new ATOM 184 N ASN A 15 -0.504 3.889 -11.583 1.00 0.00 N ATOM 185 CA ASN A 15 -0.112 5.006 -12.427 1.00 0.00 C ATOM 186 C ASN A 15 0.209 6.235 -11.579 1.00 0.00 C ATOM 187 O ASN A 15 1.118 7.000 -11.897 1.00 0.00 O ATOM 188 CB ASN A 15 -1.239 5.340 -13.398 1.00 0.00 C ATOM 189 CG ASN A 15 -0.730 5.862 -14.728 1.00 0.00 C ATOM 190 OD1 ASN A 15 -0.719 5.141 -15.724 1.00 0.00 O ATOM 191 ND2 ASN A 15 -0.301 7.120 -14.751 1.00 0.00 N ATOM 0 H ASN A 15 -1.400 3.471 -11.835 1.00 0.00 H new ATOM 0 HA ASN A 15 0.780 4.721 -12.984 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.842 4.448 -13.569 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.893 6.085 -12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.055 7.522 -15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.328 7.684 -13.901 1.00 0.00 H new ATOM 198 N ASP A 16 -0.551 6.409 -10.495 1.00 0.00 N ATOM 199 CA ASP A 16 -0.358 7.533 -9.585 1.00 0.00 C ATOM 200 C ASP A 16 1.058 7.508 -8.993 1.00 0.00 C ATOM 201 O ASP A 16 1.423 6.581 -8.271 1.00 0.00 O ATOM 202 CB ASP A 16 -1.422 7.487 -8.482 1.00 0.00 C ATOM 203 CG ASP A 16 -1.433 8.735 -7.621 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.460 8.952 -6.872 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.420 9.497 -7.696 1.00 0.00 O ATOM 0 H ASP A 16 -1.309 5.780 -10.228 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.468 8.467 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.404 7.357 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.245 6.617 -7.850 1.00 0.00 H new ATOM 210 N PRO A 17 1.882 8.525 -9.321 1.00 0.00 N ATOM 211 CA PRO A 17 3.279 8.625 -8.856 1.00 0.00 C ATOM 212 C PRO A 17 3.432 8.666 -7.333 1.00 0.00 C ATOM 213 O PRO A 17 4.444 8.208 -6.802 1.00 0.00 O ATOM 214 CB PRO A 17 3.778 9.937 -9.474 1.00 0.00 C ATOM 215 CG PRO A 17 2.547 10.688 -9.845 1.00 0.00 C ATOM 216 CD PRO A 17 1.525 9.652 -10.196 1.00 0.00 C ATOM 0 HA PRO A 17 3.844 7.742 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.384 10.501 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.402 9.748 -10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.205 11.310 -9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.734 11.353 -10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.511 10.005 -10.006 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.575 9.377 -11.249 1.00 0.00 H new ATOM 224 N ARG A 18 2.439 9.210 -6.632 1.00 0.00 N ATOM 225 CA ARG A 18 2.496 9.293 -5.174 1.00 0.00 C ATOM 226 C ARG A 18 2.203 7.938 -4.551 1.00 0.00 C ATOM 227 O ARG A 18 2.875 7.507 -3.617 1.00 0.00 O ATOM 228 CB ARG A 18 1.496 10.323 -4.656 1.00 0.00 C ATOM 229 CG ARG A 18 1.889 11.747 -4.978 1.00 0.00 C ATOM 230 CD ARG A 18 1.704 12.053 -6.454 1.00 0.00 C ATOM 231 NE ARG A 18 1.381 13.460 -6.693 1.00 0.00 N ATOM 232 CZ ARG A 18 0.764 13.914 -7.787 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.366 13.076 -8.740 1.00 0.00 N ATOM 234 NH2 ARG A 18 0.536 15.216 -7.924 1.00 0.00 N ATOM 0 H ARG A 18 1.591 9.597 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 18 3.502 9.603 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.516 10.117 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.399 10.215 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.287 12.435 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.930 11.911 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.615 11.795 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.908 11.426 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 18 1.644 14.138 -5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.531 12.074 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.104 13.435 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.832 15.865 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.065 15.566 -8.758 1.00 0.00 H new ATOM 248 N VAL A 19 1.191 7.277 -5.087 1.00 0.00 N ATOM 249 CA VAL A 19 0.777 5.965 -4.615 1.00 0.00 C ATOM 250 C VAL A 19 1.893 4.929 -4.797 1.00 0.00 C ATOM 251 O VAL A 19 2.130 4.105 -3.915 1.00 0.00 O ATOM 252 CB VAL A 19 -0.490 5.500 -5.364 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.774 4.028 -5.104 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.686 6.349 -4.972 1.00 0.00 C ATOM 0 H VAL A 19 0.632 7.634 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 19 0.557 6.051 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.311 5.625 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.672 3.730 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.070 3.429 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.924 3.869 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.569 6.005 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.859 6.261 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.490 7.391 -5.224 1.00 0.00 H new ATOM 264 N LYS A 20 2.565 4.974 -5.948 1.00 0.00 N ATOM 265 CA LYS A 20 3.649 4.038 -6.256 1.00 0.00 C ATOM 266 C LYS A 20 4.907 4.312 -5.423 1.00 0.00 C ATOM 267 O LYS A 20 5.607 3.378 -5.026 1.00 0.00 O ATOM 268 CB LYS A 20 3.991 4.103 -7.747 1.00 0.00 C ATOM 269 CG LYS A 20 4.271 5.514 -8.244 1.00 0.00 C ATOM 270 CD LYS A 20 5.756 5.751 -8.463 1.00 0.00 C ATOM 271 CE LYS A 20 6.274 4.993 -9.677 1.00 0.00 C ATOM 272 NZ LYS A 20 7.595 5.505 -10.138 1.00 0.00 N ATOM 0 H LYS A 20 2.377 5.652 -6.686 1.00 0.00 H new ATOM 0 HA LYS A 20 3.296 3.039 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.864 3.479 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.165 3.682 -8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.734 5.684 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.890 6.236 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.939 6.817 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.309 5.440 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.362 3.934 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.551 5.073 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.909 4.960 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.507 6.508 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.292 5.405 -9.373 1.00 0.00 H new ATOM 286 N GLU A 21 5.193 5.588 -5.157 1.00 0.00 N ATOM 287 CA GLU A 21 6.367 5.962 -4.374 1.00 0.00 C ATOM 288 C GLU A 21 6.131 5.700 -2.892 1.00 0.00 C ATOM 289 O GLU A 21 7.032 5.269 -2.167 1.00 0.00 O ATOM 290 CB GLU A 21 6.717 7.437 -4.603 1.00 0.00 C ATOM 291 CG GLU A 21 5.705 8.419 -4.031 1.00 0.00 C ATOM 292 CD GLU A 21 6.034 9.865 -4.359 1.00 0.00 C ATOM 293 OE1 GLU A 21 6.088 10.206 -5.558 1.00 0.00 O ATOM 294 OE2 GLU A 21 6.234 10.657 -3.415 1.00 0.00 O ATOM 0 H GLU A 21 4.628 6.376 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 21 7.206 5.349 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.692 7.640 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.811 7.614 -5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.715 8.180 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.661 8.298 -2.949 1.00 0.00 H new ATOM 301 N ILE A 22 4.909 5.969 -2.453 1.00 0.00 N ATOM 302 CA ILE A 22 4.531 5.774 -1.063 1.00 0.00 C ATOM 303 C ILE A 22 4.328 4.282 -0.742 1.00 0.00 C ATOM 304 O ILE A 22 4.630 3.835 0.369 1.00 0.00 O ATOM 305 CB ILE A 22 3.271 6.610 -0.724 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.584 8.099 -0.905 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.789 6.347 0.695 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.360 8.982 -0.931 1.00 0.00 C ATOM 0 H ILE A 22 4.159 6.325 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 22 5.347 6.126 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 22 2.472 6.314 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.237 8.424 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.137 8.234 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.904 6.951 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.541 5.291 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.576 6.610 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.663 10.021 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.715 8.685 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.817 8.879 0.008 1.00 0.00 H new ATOM 320 N ALA A 23 3.855 3.507 -1.729 1.00 0.00 N ATOM 321 CA ALA A 23 3.657 2.065 -1.552 1.00 0.00 C ATOM 322 C ALA A 23 5.002 1.353 -1.447 1.00 0.00 C ATOM 323 O ALA A 23 5.244 0.591 -0.505 1.00 0.00 O ATOM 324 CB ALA A 23 2.843 1.491 -2.701 1.00 0.00 C ATOM 0 H ALA A 23 3.604 3.855 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 23 3.105 1.905 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.707 0.420 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.869 1.979 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.369 1.662 -3.640 1.00 0.00 H new ATOM 330 N GLU A 24 5.886 1.623 -2.410 1.00 0.00 N ATOM 331 CA GLU A 24 7.213 1.033 -2.418 1.00 0.00 C ATOM 332 C GLU A 24 7.925 1.352 -1.109 1.00 0.00 C ATOM 333 O GLU A 24 8.541 0.476 -0.502 1.00 0.00 O ATOM 334 CB GLU A 24 8.016 1.538 -3.614 1.00 0.00 C ATOM 335 CG GLU A 24 8.482 2.976 -3.495 1.00 0.00 C ATOM 336 CD GLU A 24 9.302 3.423 -4.690 1.00 0.00 C ATOM 337 OE1 GLU A 24 10.528 3.189 -4.688 1.00 0.00 O ATOM 338 OE2 GLU A 24 8.718 4.004 -5.627 1.00 0.00 O ATOM 0 H GLU A 24 5.700 2.249 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 24 7.122 -0.049 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.887 0.897 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.407 1.440 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.615 3.628 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.077 3.088 -2.588 1.00 0.00 H new ATOM 345 N PHE A 25 7.804 2.608 -0.663 1.00 0.00 N ATOM 346 CA PHE A 25 8.405 3.027 0.598 1.00 0.00 C ATOM 347 C PHE A 25 7.881 2.153 1.734 1.00 0.00 C ATOM 348 O PHE A 25 8.627 1.787 2.641 1.00 0.00 O ATOM 349 CB PHE A 25 8.106 4.497 0.899 1.00 0.00 C ATOM 350 CG PHE A 25 8.906 5.034 2.055 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.560 4.725 3.365 1.00 0.00 C ATOM 352 CD2 PHE A 25 10.011 5.839 1.832 1.00 0.00 C ATOM 353 CE1 PHE A 25 9.301 5.212 4.422 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.755 6.327 2.888 1.00 0.00 C ATOM 355 CZ PHE A 25 10.400 6.013 4.184 1.00 0.00 C ATOM 0 H PHE A 25 7.298 3.344 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 25 9.485 2.912 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.315 5.094 0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.044 4.609 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.702 4.097 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.294 6.088 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.021 4.967 5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.614 6.954 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.981 6.393 5.011 1.00 0.00 H new ATOM 365 N ALA A 26 6.590 1.813 1.664 1.00 0.00 N ATOM 366 CA ALA A 26 5.962 0.966 2.677 1.00 0.00 C ATOM 367 C ALA A 26 6.691 -0.372 2.805 1.00 0.00 C ATOM 368 O ALA A 26 6.975 -0.825 3.915 1.00 0.00 O ATOM 369 CB ALA A 26 4.496 0.741 2.344 1.00 0.00 C ATOM 0 H ALA A 26 5.963 2.112 0.917 1.00 0.00 H new ATOM 0 HA ALA A 26 6.029 1.480 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.042 0.109 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.979 1.700 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.414 0.253 1.373 1.00 0.00 H new ATOM 375 N LEU A 27 6.993 -0.998 1.663 1.00 0.00 N ATOM 376 CA LEU A 27 7.692 -2.288 1.650 1.00 0.00 C ATOM 377 C LEU A 27 9.150 -2.147 2.114 1.00 0.00 C ATOM 378 O LEU A 27 9.639 -2.958 2.900 1.00 0.00 O ATOM 379 CB LEU A 27 7.642 -2.916 0.245 1.00 0.00 C ATOM 380 CG LEU A 27 8.833 -3.802 -0.127 1.00 0.00 C ATOM 381 CD1 LEU A 27 8.924 -4.999 0.810 1.00 0.00 C ATOM 382 CD2 LEU A 27 8.721 -4.261 -1.573 1.00 0.00 C ATOM 0 H LEU A 27 6.765 -0.634 0.738 1.00 0.00 H new ATOM 0 HA LEU A 27 7.179 -2.945 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.731 -3.510 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.566 -2.114 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 27 9.746 -3.216 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.777 -5.617 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.050 -4.650 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.010 -5.588 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.575 -4.890 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.801 -4.830 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.706 -3.392 -2.231 1.00 0.00 H new ATOM 394 N LYS A 28 9.842 -1.127 1.607 1.00 0.00 N ATOM 395 CA LYS A 28 11.249 -0.890 1.950 1.00 0.00 C ATOM 396 C LYS A 28 11.441 -0.391 3.393 1.00 0.00 C ATOM 397 O LYS A 28 12.552 -0.449 3.921 1.00 0.00 O ATOM 398 CB LYS A 28 11.867 0.111 0.970 1.00 0.00 C ATOM 399 CG LYS A 28 11.346 1.531 1.140 1.00 0.00 C ATOM 400 CD LYS A 28 12.469 2.559 1.203 1.00 0.00 C ATOM 401 CE LYS A 28 13.638 2.091 2.060 1.00 0.00 C ATOM 402 NZ LYS A 28 14.809 1.687 1.233 1.00 0.00 N ATOM 0 H LYS A 28 9.451 -0.447 0.954 1.00 0.00 H new ATOM 0 HA LYS A 28 11.756 -1.852 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.949 0.112 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.668 -0.221 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.682 1.773 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.752 1.590 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.823 2.768 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.079 3.494 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.933 2.891 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.322 1.249 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.306 0.899 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.483 1.386 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.458 2.494 1.132 1.00 0.00 H new ATOM 416 N GLN A 29 10.373 0.109 4.022 1.00 0.00 N ATOM 417 CA GLN A 29 10.464 0.623 5.390 1.00 0.00 C ATOM 418 C GLN A 29 10.328 -0.499 6.422 1.00 0.00 C ATOM 419 O GLN A 29 11.027 -0.499 7.438 1.00 0.00 O ATOM 420 CB GLN A 29 9.398 1.694 5.638 1.00 0.00 C ATOM 421 CG GLN A 29 9.571 2.439 6.956 1.00 0.00 C ATOM 422 CD GLN A 29 10.983 2.961 7.165 1.00 0.00 C ATOM 423 OE1 GLN A 29 11.900 2.199 7.466 1.00 0.00 O ATOM 424 NE2 GLN A 29 11.164 4.268 7.015 1.00 0.00 N ATOM 0 H GLN A 29 9.442 0.168 3.609 1.00 0.00 H new ATOM 0 HA GLN A 29 11.451 1.071 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.421 2.413 4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.414 1.225 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.872 3.275 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.310 1.774 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.377 4.866 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.090 4.673 7.150 1.00 0.00 H new ATOM 433 N HIS A 30 9.443 -1.462 6.152 1.00 0.00 N ATOM 434 CA HIS A 30 9.246 -2.593 7.056 1.00 0.00 C ATOM 435 C HIS A 30 10.045 -3.794 6.570 1.00 0.00 C ATOM 436 O HIS A 30 9.911 -4.217 5.422 1.00 0.00 O ATOM 437 CB HIS A 30 7.772 -2.969 7.171 1.00 0.00 C ATOM 438 CG HIS A 30 7.402 -3.423 8.546 1.00 0.00 C ATOM 439 ND1 HIS A 30 6.522 -2.747 9.360 1.00 0.00 N ATOM 440 CD2 HIS A 30 7.815 -4.497 9.251 1.00 0.00 C ATOM 441 CE1 HIS A 30 6.409 -3.387 10.510 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.185 -4.454 10.468 1.00 0.00 N ATOM 0 H HIS A 30 8.855 -1.480 5.319 1.00 0.00 H new ATOM 0 HA HIS A 30 9.597 -2.294 8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.159 -2.110 6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.546 -3.761 6.457 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.513 -5.251 8.918 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.788 -3.089 11.342 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.298 -5.135 11.219 1.00 0.00 H new ATOM 451 N ALA A 31 10.888 -4.331 7.443 1.00 0.00 N ATOM 452 CA ALA A 31 11.719 -5.474 7.089 1.00 0.00 C ATOM 453 C ALA A 31 12.277 -6.176 8.330 1.00 0.00 C ATOM 454 O ALA A 31 13.438 -6.588 8.355 1.00 0.00 O ATOM 455 CB ALA A 31 12.835 -5.013 6.166 1.00 0.00 C ATOM 0 H ALA A 31 11.014 -3.995 8.398 1.00 0.00 H new ATOM 0 HA ALA A 31 11.103 -6.208 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.460 -5.865 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.405 -4.580 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.441 -4.263 6.674 1.00 0.00 H new ATOM 461 N GLU A 32 11.436 -6.310 9.358 1.00 0.00 N ATOM 462 CA GLU A 32 11.833 -6.959 10.604 1.00 0.00 C ATOM 463 C GLU A 32 11.791 -8.485 10.474 1.00 0.00 C ATOM 464 O GLU A 32 12.641 -9.185 11.025 1.00 0.00 O ATOM 465 CB GLU A 32 10.929 -6.482 11.756 1.00 0.00 C ATOM 466 CG GLU A 32 10.315 -7.599 12.594 1.00 0.00 C ATOM 467 CD GLU A 32 9.007 -7.193 13.245 1.00 0.00 C ATOM 468 OE1 GLU A 32 7.961 -7.261 12.567 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.028 -6.809 14.432 1.00 0.00 O ATOM 0 H GLU A 32 10.473 -5.975 9.349 1.00 0.00 H new ATOM 0 HA GLU A 32 12.863 -6.678 10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.511 -5.834 12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.125 -5.875 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.146 -8.471 11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.023 -7.898 13.367 1.00 0.00 H new ATOM 476 N GLN A 33 10.791 -8.987 9.752 1.00 0.00 N ATOM 477 CA GLN A 33 10.615 -10.422 9.552 1.00 0.00 C ATOM 478 C GLN A 33 11.245 -10.899 8.239 1.00 0.00 C ATOM 479 O GLN A 33 11.464 -12.097 8.057 1.00 0.00 O ATOM 480 CB GLN A 33 9.127 -10.756 9.567 1.00 0.00 C ATOM 481 CG GLN A 33 8.424 -10.304 10.834 1.00 0.00 C ATOM 482 CD GLN A 33 7.126 -11.048 11.083 1.00 0.00 C ATOM 483 OE1 GLN A 33 6.046 -10.458 11.062 1.00 0.00 O ATOM 484 NE2 GLN A 33 7.225 -12.351 11.322 1.00 0.00 N ATOM 0 H GLN A 33 10.084 -8.413 9.292 1.00 0.00 H new ATOM 0 HA GLN A 33 11.123 -10.941 10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.648 -10.288 8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.002 -11.833 9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.090 -10.449 11.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.218 -9.236 10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.141 -12.800 11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.385 -12.903 11.497 1.00 0.00 H new ATOM 493 N ASN A 34 11.533 -9.955 7.337 1.00 0.00 N ATOM 494 CA ASN A 34 12.145 -10.256 6.041 1.00 0.00 C ATOM 495 C ASN A 34 11.157 -10.934 5.086 1.00 0.00 C ATOM 496 O ASN A 34 11.040 -12.161 5.058 1.00 0.00 O ATOM 497 CB ASN A 34 13.398 -11.121 6.228 1.00 0.00 C ATOM 498 CG ASN A 34 13.997 -11.594 4.914 1.00 0.00 C ATOM 499 OD1 ASN A 34 14.640 -10.826 4.199 1.00 0.00 O ATOM 500 ND2 ASN A 34 13.793 -12.868 4.592 1.00 0.00 N ATOM 0 H ASN A 34 11.348 -8.963 7.485 1.00 0.00 H new ATOM 0 HA ASN A 34 12.436 -9.309 5.587 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.147 -10.551 6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.146 -11.988 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.176 -13.242 3.724 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.254 -13.471 5.213 1.00 0.00 H new ATOM 507 N LEU A 35 10.465 -10.117 4.290 1.00 0.00 N ATOM 508 CA LEU A 35 9.506 -10.612 3.307 1.00 0.00 C ATOM 509 C LEU A 35 9.601 -9.794 2.024 1.00 0.00 C ATOM 510 O LEU A 35 10.195 -8.713 2.011 1.00 0.00 O ATOM 511 CB LEU A 35 8.084 -10.595 3.874 1.00 0.00 C ATOM 512 CG LEU A 35 7.432 -9.219 4.007 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.076 -9.209 3.317 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.288 -8.837 5.473 1.00 0.00 C ATOM 0 H LEU A 35 10.554 -9.101 4.310 1.00 0.00 H new ATOM 0 HA LEU A 35 9.751 -11.648 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.453 -11.214 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.101 -11.064 4.858 1.00 0.00 H new ATOM 0 HG LEU A 35 8.073 -8.482 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.623 -8.223 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.204 -9.441 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.428 -9.956 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.822 -7.855 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.666 -9.574 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.272 -8.809 5.940 1.00 0.00 H new ATOM 526 N ILE A 36 9.062 -10.334 0.935 1.00 0.00 N ATOM 527 CA ILE A 36 9.147 -9.668 -0.360 1.00 0.00 C ATOM 528 C ILE A 36 7.782 -9.344 -0.942 1.00 0.00 C ATOM 529 O ILE A 36 6.950 -10.229 -1.121 1.00 0.00 O ATOM 530 CB ILE A 36 9.914 -10.551 -1.365 1.00 0.00 C ATOM 531 CG1 ILE A 36 10.731 -11.626 -0.630 1.00 0.00 C ATOM 532 CG2 ILE A 36 10.804 -9.694 -2.248 1.00 0.00 C ATOM 533 CD1 ILE A 36 11.137 -12.785 -1.509 1.00 0.00 C ATOM 0 H ILE A 36 8.565 -11.225 0.923 1.00 0.00 H new ATOM 0 HA ILE A 36 9.675 -8.730 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 36 9.192 -11.060 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.627 -11.167 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.146 -12.004 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.339 -10.331 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.191 -8.980 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.521 -9.156 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.710 -13.503 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.245 -13.270 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.749 -12.419 -2.333 1.00 0.00 H new ATOM 545 N LEU A 37 7.570 -8.068 -1.263 1.00 0.00 N ATOM 546 CA LEU A 37 6.316 -7.630 -1.851 1.00 0.00 C ATOM 547 C LEU A 37 6.332 -7.861 -3.359 1.00 0.00 C ATOM 548 O LEU A 37 7.163 -7.299 -4.075 1.00 0.00 O ATOM 549 CB LEU A 37 6.071 -6.155 -1.543 1.00 0.00 C ATOM 550 CG LEU A 37 4.634 -5.678 -1.762 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.746 -6.113 -0.605 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.591 -4.167 -1.928 1.00 0.00 C ATOM 0 H LEU A 37 8.254 -7.324 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 37 5.505 -8.214 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.346 -5.966 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.736 -5.555 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 37 4.257 -6.134 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.727 -5.765 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.751 -7.201 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.123 -5.685 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.561 -3.847 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.988 -3.691 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.194 -3.878 -2.789 1.00 0.00 H new ATOM 564 N ALA A 38 5.403 -8.688 -3.832 1.00 0.00 N ATOM 565 CA ALA A 38 5.295 -8.999 -5.250 1.00 0.00 C ATOM 566 C ALA A 38 4.909 -7.761 -6.048 1.00 0.00 C ATOM 567 O ALA A 38 5.302 -7.620 -7.208 1.00 0.00 O ATOM 568 CB ALA A 38 4.280 -10.112 -5.471 1.00 0.00 C ATOM 0 H ALA A 38 4.711 -9.156 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 38 6.269 -9.339 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.210 -10.334 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.598 -11.006 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.305 -9.794 -5.102 1.00 0.00 H new ATOM 574 N GLY A 39 4.149 -6.855 -5.422 1.00 0.00 N ATOM 575 CA GLY A 39 3.753 -5.639 -6.111 1.00 0.00 C ATOM 576 C GLY A 39 2.475 -5.020 -5.577 1.00 0.00 C ATOM 577 O GLY A 39 1.725 -5.657 -4.834 1.00 0.00 O ATOM 0 H GLY A 39 3.807 -6.943 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.559 -4.909 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.624 -5.859 -7.171 1.00 0.00 H new ATOM 581 N VAL A 40 2.230 -3.771 -5.978 1.00 0.00 N ATOM 582 CA VAL A 40 1.037 -3.035 -5.567 1.00 0.00 C ATOM 583 C VAL A 40 -0.212 -3.652 -6.199 1.00 0.00 C ATOM 584 O VAL A 40 -0.249 -3.898 -7.405 1.00 0.00 O ATOM 585 CB VAL A 40 1.156 -1.540 -5.963 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.200 -0.836 -5.953 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.144 -0.822 -5.047 1.00 0.00 C ATOM 0 H VAL A 40 2.851 -3.245 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 40 0.949 -3.100 -4.482 1.00 0.00 H new ATOM 0 HB VAL A 40 1.532 -1.501 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.070 0.208 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.868 -1.324 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.631 -0.890 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.215 0.226 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.798 -0.889 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.125 -1.290 -5.132 1.00 0.00 H new ATOM 597 N ASP A 41 -1.225 -3.914 -5.373 1.00 0.00 N ATOM 598 CA ASP A 41 -2.469 -4.520 -5.848 1.00 0.00 C ATOM 599 C ASP A 41 -3.627 -3.524 -5.811 1.00 0.00 C ATOM 600 O ASP A 41 -4.267 -3.268 -6.831 1.00 0.00 O ATOM 601 CB ASP A 41 -2.803 -5.751 -5.004 1.00 0.00 C ATOM 602 CG ASP A 41 -2.088 -6.994 -5.493 1.00 0.00 C ATOM 603 OD1 ASP A 41 -0.845 -7.048 -5.381 1.00 0.00 O ATOM 604 OD2 ASP A 41 -2.769 -7.912 -5.991 1.00 0.00 O ATOM 0 H ASP A 41 -1.209 -3.716 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.324 -4.821 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.530 -5.562 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.879 -5.922 -5.024 1.00 0.00 H new ATOM 609 N ALA A 42 -3.892 -2.967 -4.631 1.00 0.00 N ATOM 610 CA ALA A 42 -4.971 -1.998 -4.460 1.00 0.00 C ATOM 611 C ALA A 42 -4.619 -0.999 -3.367 1.00 0.00 C ATOM 612 O ALA A 42 -3.821 -1.303 -2.483 1.00 0.00 O ATOM 613 CB ALA A 42 -6.277 -2.708 -4.135 1.00 0.00 C ATOM 0 H ALA A 42 -3.372 -3.171 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.099 -1.454 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.071 -1.971 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.535 -3.386 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.162 -3.277 -3.212 1.00 0.00 H new ATOM 619 N GLY A 43 -5.198 0.197 -3.431 1.00 0.00 N ATOM 620 CA GLY A 43 -4.893 1.199 -2.433 1.00 0.00 C ATOM 621 C GLY A 43 -5.999 2.201 -2.199 1.00 0.00 C ATOM 622 O GLY A 43 -7.006 2.217 -2.901 1.00 0.00 O ATOM 0 H GLY A 43 -5.864 0.485 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.666 0.699 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.992 1.734 -2.735 1.00 0.00 H new ATOM 626 N GLN A 44 -5.788 3.037 -1.192 1.00 0.00 N ATOM 627 CA GLN A 44 -6.735 4.070 -0.805 1.00 0.00 C ATOM 628 C GLN A 44 -5.987 5.291 -0.273 1.00 0.00 C ATOM 629 O GLN A 44 -4.828 5.184 0.131 1.00 0.00 O ATOM 630 CB GLN A 44 -7.672 3.522 0.272 1.00 0.00 C ATOM 631 CG GLN A 44 -8.668 2.504 -0.253 1.00 0.00 C ATOM 632 CD GLN A 44 -9.218 1.606 0.840 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.409 1.639 1.144 1.00 0.00 O ATOM 634 NE2 GLN A 44 -8.350 0.793 1.436 1.00 0.00 N ATOM 0 H GLN A 44 -4.946 3.016 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.320 4.368 -1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.077 3.063 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.216 4.351 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.493 3.026 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.187 1.890 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.370 0.797 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.664 0.165 2.176 1.00 0.00 H new ATOM 643 N ILE A 45 -6.644 6.448 -0.272 1.00 0.00 N ATOM 644 CA ILE A 45 -6.015 7.675 0.215 1.00 0.00 C ATOM 645 C ILE A 45 -7.019 8.568 0.940 1.00 0.00 C ATOM 646 O ILE A 45 -8.104 8.842 0.425 1.00 0.00 O ATOM 647 CB ILE A 45 -5.367 8.473 -0.934 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.455 7.564 -1.762 1.00 0.00 C ATOM 649 CG2 ILE A 45 -4.585 9.660 -0.382 1.00 0.00 C ATOM 650 CD1 ILE A 45 -3.644 8.300 -2.801 1.00 0.00 C ATOM 0 H ILE A 45 -7.603 6.563 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.239 7.369 0.917 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.155 8.854 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.777 7.037 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.064 6.808 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.134 10.213 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.259 10.316 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.802 9.301 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.023 7.590 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.315 8.805 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.008 9.037 -2.311 1.00 0.00 H new ATOM 662 N ILE A 46 -6.642 9.032 2.133 1.00 0.00 N ATOM 663 CA ILE A 46 -7.501 9.908 2.923 1.00 0.00 C ATOM 664 C ILE A 46 -6.952 11.332 2.920 1.00 0.00 C ATOM 665 O ILE A 46 -5.840 11.589 3.417 1.00 0.00 O ATOM 666 CB ILE A 46 -7.652 9.419 4.380 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.059 7.942 4.412 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.678 10.271 5.117 1.00 0.00 C ATOM 669 CD1 ILE A 46 -8.327 7.414 5.805 1.00 0.00 C ATOM 0 H ILE A 46 -5.747 8.814 2.571 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.487 9.889 2.459 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.690 9.520 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.954 7.808 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.269 7.347 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.776 9.917 6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.351 11.311 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.642 10.196 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.610 6.363 5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.427 7.515 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.138 7.983 6.260 1.00 0.00 H new ATOM 681 N LYS A 47 -7.730 12.247 2.331 1.00 0.00 N ATOM 682 CA LYS A 47 -7.335 13.648 2.232 1.00 0.00 C ATOM 683 C LYS A 47 -8.484 14.609 2.553 1.00 0.00 C ATOM 684 O LYS A 47 -9.659 14.243 2.515 1.00 0.00 O ATOM 685 CB LYS A 47 -6.792 13.947 0.830 1.00 0.00 C ATOM 686 CG LYS A 47 -7.747 13.575 -0.296 1.00 0.00 C ATOM 687 CD LYS A 47 -7.125 12.561 -1.246 1.00 0.00 C ATOM 688 CE LYS A 47 -6.911 13.150 -2.634 1.00 0.00 C ATOM 689 NZ LYS A 47 -7.906 12.639 -3.619 1.00 0.00 N ATOM 0 H LYS A 47 -8.638 12.037 1.916 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.556 13.809 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.561 15.010 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.855 13.407 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.665 13.165 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.024 14.472 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.171 12.222 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.770 11.685 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.979 14.237 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.905 12.910 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.724 13.066 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.824 11.605 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.865 12.890 -3.305 1.00 0.00 H new ATOM 703 N GLY A 48 -8.104 15.854 2.831 1.00 0.00 N ATOM 704 CA GLY A 48 -9.049 16.922 3.124 1.00 0.00 C ATOM 705 C GLY A 48 -8.515 18.226 2.577 1.00 0.00 C ATOM 706 O GLY A 48 -8.763 18.575 1.422 1.00 0.00 O ATOM 0 H GLY A 48 -7.128 16.149 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.018 16.698 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.203 17.002 4.200 1.00 0.00 H new ATOM 710 N ILE A 49 -7.714 18.901 3.390 1.00 0.00 N ATOM 711 CA ILE A 49 -7.051 20.130 2.984 1.00 0.00 C ATOM 712 C ILE A 49 -5.590 19.762 2.723 1.00 0.00 C ATOM 713 O ILE A 49 -4.863 19.405 3.653 1.00 0.00 O ATOM 714 CB ILE A 49 -7.180 21.220 4.075 1.00 0.00 C ATOM 715 CG1 ILE A 49 -8.367 22.134 3.765 1.00 0.00 C ATOM 716 CG2 ILE A 49 -5.899 22.036 4.208 1.00 0.00 C ATOM 717 CD1 ILE A 49 -8.706 23.092 4.887 1.00 0.00 C ATOM 0 H ILE A 49 -7.507 18.612 4.346 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.509 20.550 2.089 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.352 20.722 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.148 22.707 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.240 21.519 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.028 22.791 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.074 21.377 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.679 22.524 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.557 23.707 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.957 22.527 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.848 23.733 5.090 1.00 0.00 H new ATOM 729 N PRO A 50 -5.157 19.746 1.448 1.00 0.00 N ATOM 730 CA PRO A 50 -3.807 19.309 1.100 1.00 0.00 C ATOM 731 C PRO A 50 -2.692 20.324 1.302 1.00 0.00 C ATOM 732 O PRO A 50 -2.596 21.336 0.605 1.00 0.00 O ATOM 733 CB PRO A 50 -3.927 18.945 -0.371 1.00 0.00 C ATOM 734 CG PRO A 50 -4.978 19.866 -0.889 1.00 0.00 C ATOM 735 CD PRO A 50 -5.960 20.052 0.245 1.00 0.00 C ATOM 0 HA PRO A 50 -3.506 18.499 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.981 19.085 -0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.212 17.901 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.547 20.820 -1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.469 19.445 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.354 21.068 0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.814 19.381 0.151 1.00 0.00 H new ATOM 743 N HIS A 51 -1.807 19.959 2.215 1.00 0.00 N ATOM 744 CA HIS A 51 -0.595 20.709 2.518 1.00 0.00 C ATOM 745 C HIS A 51 0.597 19.770 2.275 1.00 0.00 C ATOM 746 O HIS A 51 1.694 19.970 2.799 1.00 0.00 O ATOM 747 CB HIS A 51 -0.610 21.201 3.970 1.00 0.00 C ATOM 748 CG HIS A 51 -0.214 22.637 4.129 1.00 0.00 C ATOM 749 ND1 HIS A 51 0.411 23.123 5.258 1.00 0.00 N ATOM 750 CD2 HIS A 51 -0.359 23.696 3.297 1.00 0.00 C ATOM 751 CE1 HIS A 51 0.633 24.417 5.113 1.00 0.00 C ATOM 752 NE2 HIS A 51 0.176 24.789 3.932 1.00 0.00 N ATOM 0 H HIS A 51 -1.912 19.116 2.779 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.523 21.591 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.611 21.063 4.380 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.065 20.581 4.560 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.811 23.683 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.108 25.061 5.838 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.214 25.735 3.553 1.00 0.00 H new ATOM 761 N TRP A 52 0.325 18.717 1.483 1.00 0.00 N ATOM 762 CA TRP A 52 1.279 17.674 1.138 1.00 0.00 C ATOM 763 C TRP A 52 1.566 16.755 2.329 1.00 0.00 C ATOM 764 O TRP A 52 2.687 16.282 2.524 1.00 0.00 O ATOM 765 CB TRP A 52 2.552 18.239 0.508 1.00 0.00 C ATOM 766 CG TRP A 52 3.031 17.405 -0.649 1.00 0.00 C ATOM 767 CD1 TRP A 52 4.319 17.265 -1.075 1.00 0.00 C ATOM 768 CD2 TRP A 52 2.229 16.580 -1.523 1.00 0.00 C ATOM 769 NE1 TRP A 52 4.376 16.404 -2.142 1.00 0.00 N ATOM 770 CE2 TRP A 52 3.110 15.970 -2.436 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.855 16.291 -1.624 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.672 15.093 -3.426 1.00 0.00 C ATOM 773 CZ3 TRP A 52 0.426 15.419 -2.605 1.00 0.00 C ATOM 774 CH2 TRP A 52 1.332 14.827 -3.492 1.00 0.00 C ATOM 0 H TRP A 52 -0.592 18.574 1.059 1.00 0.00 H new ATOM 0 HA TRP A 52 0.815 17.055 0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.366 19.257 0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.336 18.294 1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.172 17.761 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.225 16.131 -2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.148 16.744 -0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.366 14.639 -4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.626 15.190 -2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.965 14.145 -4.245 1.00 0.00 H new ATOM 785 N ASP A 53 0.502 16.481 3.089 1.00 0.00 N ATOM 786 CA ASP A 53 0.547 15.584 4.247 1.00 0.00 C ATOM 787 C ASP A 53 -0.466 14.442 4.055 1.00 0.00 C ATOM 788 O ASP A 53 -0.980 13.879 5.023 1.00 0.00 O ATOM 789 CB ASP A 53 0.246 16.351 5.545 1.00 0.00 C ATOM 790 CG ASP A 53 0.065 17.843 5.326 1.00 0.00 C ATOM 791 OD1 ASP A 53 -1.082 18.273 5.079 1.00 0.00 O ATOM 792 OD2 ASP A 53 1.071 18.578 5.397 1.00 0.00 O ATOM 0 H ASP A 53 -0.421 16.878 2.917 1.00 0.00 H new ATOM 0 HA ASP A 53 1.550 15.166 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.657 15.944 5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.059 16.190 6.253 1.00 0.00 H new ATOM 797 N ASN A 54 -0.761 14.134 2.786 1.00 0.00 N ATOM 798 CA ASN A 54 -1.726 13.096 2.411 1.00 0.00 C ATOM 799 C ASN A 54 -1.488 11.780 3.147 1.00 0.00 C ATOM 800 O ASN A 54 -0.350 11.324 3.274 1.00 0.00 O ATOM 801 CB ASN A 54 -1.660 12.872 0.893 1.00 0.00 C ATOM 802 CG ASN A 54 -2.411 13.933 0.109 1.00 0.00 C ATOM 803 OD1 ASN A 54 -3.288 14.613 0.641 1.00 0.00 O ATOM 804 ND2 ASN A 54 -2.070 14.079 -1.166 1.00 0.00 N ATOM 0 H ASN A 54 -0.334 14.602 1.987 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.718 13.443 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.617 12.863 0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.073 11.891 0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.541 14.776 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.337 13.494 -1.568 1.00 0.00 H new ATOM 811 N TYR A 55 -2.581 11.167 3.620 1.00 0.00 N ATOM 812 CA TYR A 55 -2.491 9.895 4.329 1.00 0.00 C ATOM 813 C TYR A 55 -2.845 8.752 3.383 1.00 0.00 C ATOM 814 O TYR A 55 -3.882 8.785 2.719 1.00 0.00 O ATOM 815 CB TYR A 55 -3.402 9.906 5.556 1.00 0.00 C ATOM 816 CG TYR A 55 -2.715 10.419 6.805 1.00 0.00 C ATOM 817 CD1 TYR A 55 -1.471 9.931 7.188 1.00 0.00 C ATOM 818 CD2 TYR A 55 -3.305 11.395 7.597 1.00 0.00 C ATOM 819 CE1 TYR A 55 -0.839 10.399 8.323 1.00 0.00 C ATOM 820 CE2 TYR A 55 -2.679 11.868 8.734 1.00 0.00 C ATOM 821 CZ TYR A 55 -1.446 11.367 9.093 1.00 0.00 C ATOM 822 OH TYR A 55 -0.819 11.835 10.224 1.00 0.00 O ATOM 0 H TYR A 55 -3.528 11.532 3.523 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.469 9.746 4.677 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.274 10.526 5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.767 8.895 5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.991 9.173 6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.270 11.791 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.127 10.008 8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.153 12.627 9.339 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.380 12.515 10.652 1.00 0.00 H new ATOM 832 N TYR A 56 -1.951 7.768 3.286 1.00 0.00 N ATOM 833 CA TYR A 56 -2.142 6.645 2.373 1.00 0.00 C ATOM 834 C TYR A 56 -2.448 5.331 3.101 1.00 0.00 C ATOM 835 O TYR A 56 -1.925 5.062 4.183 1.00 0.00 O ATOM 836 CB TYR A 56 -0.890 6.503 1.497 1.00 0.00 C ATOM 837 CG TYR A 56 -0.784 7.566 0.417 1.00 0.00 C ATOM 838 CD1 TYR A 56 -0.786 8.915 0.752 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.679 7.229 -0.931 1.00 0.00 C ATOM 840 CE1 TYR A 56 -0.690 9.893 -0.214 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.582 8.207 -1.904 1.00 0.00 C ATOM 842 CZ TYR A 56 -0.588 9.537 -1.539 1.00 0.00 C ATOM 843 OH TYR A 56 -0.493 10.514 -2.501 1.00 0.00 O ATOM 0 H TYR A 56 -1.088 7.727 3.829 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.015 6.856 1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.005 6.551 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.894 5.519 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.864 9.202 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.673 6.188 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.695 10.935 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.502 7.931 -2.945 1.00 0.00 H new ATOM 0 HH TYR A 56 0.036 11.263 -2.155 1.00 0.00 H new ATOM 853 N ASN A 57 -3.300 4.518 2.470 1.00 0.00 N ATOM 854 CA ASN A 57 -3.709 3.210 2.995 1.00 0.00 C ATOM 855 C ASN A 57 -3.878 2.241 1.826 1.00 0.00 C ATOM 856 O ASN A 57 -4.765 2.433 1.004 1.00 0.00 O ATOM 857 CB ASN A 57 -5.028 3.336 3.766 1.00 0.00 C ATOM 858 CG ASN A 57 -5.309 2.128 4.641 1.00 0.00 C ATOM 859 OD1 ASN A 57 -4.354 1.778 5.499 1.00 0.00 O flip ATOM 860 ND2 ASN A 57 -6.373 1.518 4.549 1.00 0.00 N flip ATOM 0 H ASN A 57 -3.729 4.750 1.574 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.946 2.836 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.998 4.231 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.847 3.467 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.078 1.821 3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.550 0.709 5.145 1.00 0.00 H new ATOM 867 N LEU A 58 -3.014 1.226 1.720 1.00 0.00 N ATOM 868 CA LEU A 58 -3.100 0.297 0.586 1.00 0.00 C ATOM 869 C LEU A 58 -2.901 -1.169 0.967 1.00 0.00 C ATOM 870 O LEU A 58 -2.475 -1.499 2.075 1.00 0.00 O ATOM 871 CB LEU A 58 -2.063 0.677 -0.477 1.00 0.00 C ATOM 872 CG LEU A 58 -2.178 2.099 -1.030 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.391 3.072 -0.167 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.696 2.151 -2.473 1.00 0.00 C ATOM 0 H LEU A 58 -2.266 1.029 2.385 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.115 0.390 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.068 0.551 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.145 -0.025 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.227 2.393 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.484 4.078 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.783 3.055 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.341 2.781 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.785 3.170 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.653 1.837 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.304 1.484 -3.084 1.00 0.00 H new ATOM 886 N ILE A 59 -3.209 -2.034 -0.004 1.00 0.00 N ATOM 887 CA ILE A 59 -3.075 -3.483 0.130 1.00 0.00 C ATOM 888 C ILE A 59 -2.239 -4.030 -1.030 1.00 0.00 C ATOM 889 O ILE A 59 -2.612 -3.862 -2.192 1.00 0.00 O ATOM 890 CB ILE A 59 -4.450 -4.183 0.099 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.422 -3.503 1.067 1.00 0.00 C ATOM 892 CG2 ILE A 59 -4.304 -5.669 0.411 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.379 -4.055 2.474 1.00 0.00 C ATOM 0 H ILE A 59 -3.562 -1.742 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.594 -3.682 1.088 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.863 -4.093 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.199 -2.437 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.435 -3.605 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.284 -6.144 0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.655 -6.134 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.868 -5.791 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.096 -3.520 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.633 -5.115 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.377 -3.928 2.884 1.00 0.00 H new ATOM 905 N LEU A 60 -1.116 -4.677 -0.726 1.00 0.00 N ATOM 906 CA LEU A 60 -0.257 -5.230 -1.774 1.00 0.00 C ATOM 907 C LEU A 60 0.034 -6.710 -1.529 1.00 0.00 C ATOM 908 O LEU A 60 -0.179 -7.225 -0.427 1.00 0.00 O ATOM 909 CB LEU A 60 1.059 -4.446 -1.878 1.00 0.00 C ATOM 910 CG LEU A 60 0.983 -2.957 -1.523 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.121 -2.755 -0.026 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.059 -2.183 -2.265 1.00 0.00 C ATOM 0 H LEU A 60 -0.781 -4.831 0.225 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.795 -5.137 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.793 -4.918 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.434 -4.538 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 60 0.008 -2.579 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.064 -1.691 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.316 -3.281 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.082 -3.148 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.993 -1.127 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.041 -2.566 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.916 -2.300 -3.339 1.00 0.00 H new ATOM 924 N SER A 61 0.521 -7.387 -2.573 1.00 0.00 N ATOM 925 CA SER A 61 0.848 -8.813 -2.493 1.00 0.00 C ATOM 926 C SER A 61 2.324 -9.011 -2.162 1.00 0.00 C ATOM 927 O SER A 61 3.177 -8.262 -2.651 1.00 0.00 O ATOM 928 CB SER A 61 0.518 -9.519 -3.811 1.00 0.00 C ATOM 929 OG SER A 61 -0.882 -9.615 -4.004 1.00 0.00 O ATOM 0 H SER A 61 0.698 -6.968 -3.486 1.00 0.00 H new ATOM 0 HA SER A 61 0.245 -9.249 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.966 -8.973 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.957 -10.517 -3.812 1.00 0.00 H new ATOM 0 HG SER A 61 -1.065 -10.068 -4.853 1.00 0.00 H new ATOM 935 N ALA A 62 2.615 -10.019 -1.328 1.00 0.00 N ATOM 936 CA ALA A 62 3.990 -10.317 -0.918 1.00 0.00 C ATOM 937 C ALA A 62 4.184 -11.794 -0.575 1.00 0.00 C ATOM 938 O ALA A 62 3.273 -12.458 -0.077 1.00 0.00 O ATOM 939 CB ALA A 62 4.377 -9.456 0.275 1.00 0.00 C ATOM 0 H ALA A 62 1.914 -10.641 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 62 4.637 -10.088 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.400 -9.685 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.305 -8.403 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.703 -9.662 1.106 1.00 0.00 H new ATOM 945 N LYS A 63 5.395 -12.289 -0.837 1.00 0.00 N ATOM 946 CA LYS A 63 5.757 -13.674 -0.556 1.00 0.00 C ATOM 947 C LYS A 63 7.251 -13.792 -0.253 1.00 0.00 C ATOM 948 O LYS A 63 8.025 -12.867 -0.518 1.00 0.00 O ATOM 949 CB LYS A 63 5.367 -14.597 -1.717 1.00 0.00 C ATOM 950 CG LYS A 63 5.570 -14.002 -3.102 1.00 0.00 C ATOM 951 CD LYS A 63 7.036 -14.003 -3.504 1.00 0.00 C ATOM 952 CE LYS A 63 7.426 -12.716 -4.211 1.00 0.00 C ATOM 953 NZ LYS A 63 7.991 -12.972 -5.566 1.00 0.00 N ATOM 0 H LYS A 63 6.149 -11.740 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 63 5.200 -13.991 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.949 -15.516 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.319 -14.874 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.992 -14.571 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.188 -12.981 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.656 -14.133 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.233 -14.852 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.551 -12.071 -4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.159 -12.179 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.244 -12.068 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.841 -13.566 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.283 -13.461 -6.150 1.00 0.00 H new ATOM 967 N HIS A 64 7.645 -14.926 0.323 1.00 0.00 N ATOM 968 CA HIS A 64 9.040 -15.169 0.678 1.00 0.00 C ATOM 969 C HIS A 64 9.787 -15.924 -0.428 1.00 0.00 C ATOM 970 O HIS A 64 11.013 -16.026 -0.385 1.00 0.00 O ATOM 971 CB HIS A 64 9.114 -15.963 1.983 1.00 0.00 C ATOM 972 CG HIS A 64 8.601 -15.222 3.181 1.00 0.00 C ATOM 973 ND1 HIS A 64 8.406 -15.822 4.406 1.00 0.00 N ATOM 974 CD2 HIS A 64 8.237 -13.927 3.337 1.00 0.00 C ATOM 975 CE1 HIS A 64 7.943 -14.931 5.262 1.00 0.00 C ATOM 976 NE2 HIS A 64 7.831 -13.772 4.640 1.00 0.00 N ATOM 0 H HIS A 64 7.014 -15.693 0.554 1.00 0.00 H new ATOM 0 HA HIS A 64 9.522 -14.200 0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.544 -16.885 1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 64 10.150 -16.250 2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 64 8.591 -16.802 4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.261 -13.159 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.697 -15.118 6.297 1.00 0.00 H new ATOM 985 N SER A 65 9.056 -16.457 -1.413 1.00 0.00 N ATOM 986 CA SER A 65 9.683 -17.202 -2.505 1.00 0.00 C ATOM 987 C SER A 65 8.891 -17.080 -3.809 1.00 0.00 C ATOM 988 O SER A 65 7.656 -17.066 -3.808 1.00 0.00 O ATOM 989 CB SER A 65 9.837 -18.675 -2.128 1.00 0.00 C ATOM 990 OG SER A 65 8.738 -19.124 -1.356 1.00 0.00 O ATOM 0 H SER A 65 8.040 -16.387 -1.475 1.00 0.00 H new ATOM 0 HA SER A 65 10.668 -16.765 -2.669 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.920 -19.278 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.761 -18.815 -1.566 1.00 0.00 H new ATOM 0 HG SER A 65 9.067 -19.583 -0.555 1.00 0.00 H new ATOM 996 N PRO A 66 9.612 -17.006 -4.944 1.00 0.00 N ATOM 997 CA PRO A 66 9.010 -16.886 -6.284 1.00 0.00 C ATOM 998 C PRO A 66 8.230 -18.127 -6.716 1.00 0.00 C ATOM 999 O PRO A 66 7.362 -18.045 -7.585 1.00 0.00 O ATOM 1000 CB PRO A 66 10.222 -16.689 -7.198 1.00 0.00 C ATOM 1001 CG PRO A 66 11.362 -17.296 -6.459 1.00 0.00 C ATOM 1002 CD PRO A 66 11.083 -17.046 -5.006 1.00 0.00 C ATOM 0 HA PRO A 66 8.280 -16.077 -6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.073 -17.175 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.399 -15.632 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.438 -18.364 -6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.308 -16.845 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.491 -17.837 -4.376 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.525 -16.109 -4.667 1.00 0.00 H new ATOM 1010 N HIS A 67 8.553 -19.273 -6.120 1.00 0.00 N ATOM 1011 CA HIS A 67 7.889 -20.528 -6.460 1.00 0.00 C ATOM 1012 C HIS A 67 6.643 -20.780 -5.603 1.00 0.00 C ATOM 1013 O HIS A 67 6.015 -21.834 -5.729 1.00 0.00 O ATOM 1014 CB HIS A 67 8.866 -21.699 -6.310 1.00 0.00 C ATOM 1015 CG HIS A 67 9.929 -21.737 -7.367 1.00 0.00 C ATOM 1016 ND1 HIS A 67 10.633 -20.740 -7.955 1.00 0.00 N flip ATOM 1017 CD2 HIS A 67 10.383 -22.909 -7.936 1.00 0.00 C flip ATOM 1018 CE1 HIS A 67 11.488 -21.323 -8.857 1.00 0.00 C flip ATOM 1019 NE2 HIS A 67 11.318 -22.631 -8.827 1.00 0.00 N flip ATOM 0 H HIS A 67 9.270 -19.358 -5.400 1.00 0.00 H new ATOM 0 HA HIS A 67 7.563 -20.448 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 67 9.342 -21.641 -5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.306 -22.634 -6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.029 -23.900 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 67 12.187 -20.796 -9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 67 11.823 -23.312 -9.395 1.00 0.00 H new ATOM 1028 N GLU A 68 6.281 -19.831 -4.729 1.00 0.00 N ATOM 1029 CA GLU A 68 5.109 -20.010 -3.877 1.00 0.00 C ATOM 1030 C GLU A 68 4.142 -18.828 -3.955 1.00 0.00 C ATOM 1031 O GLU A 68 4.465 -17.770 -4.496 1.00 0.00 O ATOM 1032 CB GLU A 68 5.536 -20.258 -2.433 1.00 0.00 C ATOM 1033 CG GLU A 68 6.100 -21.653 -2.212 1.00 0.00 C ATOM 1034 CD GLU A 68 7.597 -21.658 -1.976 1.00 0.00 C ATOM 1035 OE1 GLU A 68 8.355 -21.472 -2.953 1.00 0.00 O ATOM 1036 OE2 GLU A 68 8.013 -21.857 -0.816 1.00 0.00 O ATOM 0 H GLU A 68 6.776 -18.949 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 68 4.573 -20.883 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.286 -19.520 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.679 -20.110 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.602 -22.109 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.873 -22.272 -3.080 1.00 0.00 H new ATOM 1043 N PHE A 69 2.940 -19.051 -3.420 1.00 0.00 N ATOM 1044 CA PHE A 69 1.857 -18.061 -3.412 1.00 0.00 C ATOM 1045 C PHE A 69 2.261 -16.712 -2.820 1.00 0.00 C ATOM 1046 O PHE A 69 3.294 -16.583 -2.165 1.00 0.00 O ATOM 1047 CB PHE A 69 0.677 -18.604 -2.603 1.00 0.00 C ATOM 1048 CG PHE A 69 -0.307 -19.404 -3.400 1.00 0.00 C ATOM 1049 CD1 PHE A 69 0.101 -20.504 -4.135 1.00 0.00 C ATOM 1050 CD2 PHE A 69 -1.645 -19.056 -3.404 1.00 0.00 C ATOM 1051 CE1 PHE A 69 -0.813 -21.243 -4.862 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -2.563 -19.788 -4.125 1.00 0.00 C ATOM 1053 CZ PHE A 69 -2.148 -20.884 -4.857 1.00 0.00 C ATOM 0 H PHE A 69 2.687 -19.933 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 69 1.592 -17.893 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.062 -19.226 -1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.155 -17.767 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.143 -20.787 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.975 -18.200 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.485 -22.099 -5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.605 -19.506 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.865 -21.459 -5.424 1.00 0.00 H new ATOM 1063 N SER A 70 1.386 -15.725 -3.040 1.00 0.00 N ATOM 1064 CA SER A 70 1.559 -14.368 -2.526 1.00 0.00 C ATOM 1065 C SER A 70 0.311 -13.977 -1.737 1.00 0.00 C ATOM 1066 O SER A 70 -0.810 -14.214 -2.192 1.00 0.00 O ATOM 1067 CB SER A 70 1.780 -13.369 -3.669 1.00 0.00 C ATOM 1068 OG SER A 70 2.541 -13.939 -4.722 1.00 0.00 O ATOM 0 H SER A 70 0.532 -15.849 -3.584 1.00 0.00 H new ATOM 0 HA SER A 70 2.438 -14.344 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.816 -13.037 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.291 -12.486 -3.287 1.00 0.00 H new ATOM 0 HG SER A 70 2.662 -13.277 -5.434 1.00 0.00 H new ATOM 1074 N LYS A 71 0.498 -13.399 -0.555 1.00 0.00 N ATOM 1075 CA LYS A 71 -0.635 -13.007 0.283 1.00 0.00 C ATOM 1076 C LYS A 71 -0.818 -11.493 0.317 1.00 0.00 C ATOM 1077 O LYS A 71 0.043 -10.739 -0.135 1.00 0.00 O ATOM 1078 CB LYS A 71 -0.463 -13.554 1.702 1.00 0.00 C ATOM 1079 CG LYS A 71 -0.451 -15.079 1.780 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.669 -15.704 1.106 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.867 -15.749 2.042 1.00 0.00 C ATOM 1082 NZ LYS A 71 -4.141 -15.995 1.309 1.00 0.00 N ATOM 0 H LYS A 71 1.414 -13.192 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.534 -13.437 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.469 -13.171 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.271 -13.174 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.456 -15.457 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.419 -15.387 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.925 -15.132 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.425 -16.714 0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.718 -16.534 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.938 -14.807 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.931 -16.018 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.297 -15.233 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.085 -16.906 0.811 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.963 -11.062 0.846 1.00 0.00 N ATOM 1097 CA PHE A 72 -2.294 -9.643 0.937 1.00 0.00 C ATOM 1098 C PHE A 72 -1.774 -9.027 2.230 1.00 0.00 C ATOM 1099 O PHE A 72 -1.665 -9.705 3.252 1.00 0.00 O ATOM 1100 CB PHE A 72 -3.811 -9.450 0.875 1.00 0.00 C ATOM 1101 CG PHE A 72 -4.417 -9.814 -0.447 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -4.826 -11.110 -0.703 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -4.576 -8.857 -1.431 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -5.383 -11.446 -1.922 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -5.131 -9.184 -2.651 1.00 0.00 C ATOM 1106 CZ PHE A 72 -5.535 -10.481 -2.898 1.00 0.00 C ATOM 0 H PHE A 72 -2.681 -11.682 1.220 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.816 -9.144 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.276 -10.053 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.044 -8.408 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.709 -11.867 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.262 -7.841 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.699 -12.461 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.249 -8.427 -3.412 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.969 -10.740 -3.852 1.00 0.00 H new ATOM 1116 N TYR A 73 -1.480 -7.729 2.176 1.00 0.00 N ATOM 1117 CA TYR A 73 -1.004 -6.991 3.336 1.00 0.00 C ATOM 1118 C TYR A 73 -1.598 -5.586 3.336 1.00 0.00 C ATOM 1119 O TYR A 73 -1.664 -4.941 2.294 1.00 0.00 O ATOM 1120 CB TYR A 73 0.524 -6.888 3.348 1.00 0.00 C ATOM 1121 CG TYR A 73 1.253 -8.215 3.269 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.274 -8.956 2.093 1.00 0.00 C ATOM 1123 CD2 TYR A 73 1.930 -8.722 4.371 1.00 0.00 C ATOM 1124 CE1 TYR A 73 1.944 -10.163 2.022 1.00 0.00 C ATOM 1125 CE2 TYR A 73 2.604 -9.925 4.305 1.00 0.00 C ATOM 1126 CZ TYR A 73 2.607 -10.642 3.129 1.00 0.00 C ATOM 1127 OH TYR A 73 3.278 -11.842 3.057 1.00 0.00 O ATOM 0 H TYR A 73 -1.566 -7.165 1.330 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.321 -7.534 4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.838 -6.267 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.832 -6.374 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.758 -8.583 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.929 -8.165 5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.947 -10.728 1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.127 -10.302 5.172 1.00 0.00 H new ATOM 0 HH TYR A 73 3.332 -12.131 2.122 1.00 0.00 H new ATOM 1137 N ASN A 74 -2.013 -5.124 4.510 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.589 -3.793 4.677 1.00 0.00 C ATOM 1139 C ASN A 74 -1.625 -2.917 5.471 1.00 0.00 C ATOM 1140 O ASN A 74 -1.276 -3.239 6.607 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.939 -3.887 5.400 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.396 -2.561 5.982 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -4.960 -1.702 5.139 1.00 0.00 O flip ATOM 1144 ND2 ASN A 74 -4.245 -2.314 7.178 1.00 0.00 N flip ATOM 0 H ASN A 74 -1.960 -5.662 5.375 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.753 -3.347 3.696 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.694 -4.250 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.865 -4.623 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.807 -3.003 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.558 -1.421 7.558 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.181 -1.822 4.861 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.236 -0.917 5.506 1.00 0.00 C ATOM 1153 C VAL A 75 -0.693 0.535 5.412 1.00 0.00 C ATOM 1154 O VAL A 75 -1.346 0.936 4.443 1.00 0.00 O ATOM 1155 CB VAL A 75 1.168 -1.042 4.872 1.00 0.00 C ATOM 1156 CG1 VAL A 75 2.188 -0.184 5.609 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.621 -2.492 4.843 1.00 0.00 C ATOM 0 H VAL A 75 -1.460 -1.540 3.921 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.191 -1.205 6.556 1.00 0.00 H new ATOM 0 HB VAL A 75 1.098 -0.679 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.165 -0.295 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.882 0.861 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.249 -0.504 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.612 -2.555 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.660 -2.882 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.917 -3.081 4.255 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.317 1.316 6.423 1.00 0.00 N ATOM 1168 CA VAL A 76 -0.642 2.736 6.481 1.00 0.00 C ATOM 1169 C VAL A 76 0.627 3.552 6.262 1.00 0.00 C ATOM 1170 O VAL A 76 1.648 3.300 6.904 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.268 3.127 7.837 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -1.729 4.576 7.819 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.423 2.198 8.190 1.00 0.00 C ATOM 0 H VAL A 76 0.220 0.981 7.223 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.373 2.945 5.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.502 3.022 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.167 4.831 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.876 5.227 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.475 4.711 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.848 2.494 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.190 2.262 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.059 1.173 8.255 1.00 0.00 H new ATOM 1183 N VAL A 77 0.565 4.516 5.345 1.00 0.00 N ATOM 1184 CA VAL A 77 1.723 5.353 5.037 1.00 0.00 C ATOM 1185 C VAL A 77 1.384 6.836 5.090 1.00 0.00 C ATOM 1186 O VAL A 77 0.271 7.244 4.761 1.00 0.00 O ATOM 1187 CB VAL A 77 2.319 5.037 3.646 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.554 4.163 3.784 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.295 4.374 2.745 1.00 0.00 C ATOM 0 H VAL A 77 -0.271 4.736 4.804 1.00 0.00 H new ATOM 0 HA VAL A 77 2.461 5.122 5.805 1.00 0.00 H new ATOM 0 HB VAL A 77 2.608 5.980 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.961 3.950 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.303 4.683 4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.285 3.228 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.745 4.165 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.961 3.441 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.442 5.039 2.613 1.00 0.00 H new ATOM 1199 N LEU A 78 2.364 7.634 5.503 1.00 0.00 N ATOM 1200 CA LEU A 78 2.202 9.075 5.599 1.00 0.00 C ATOM 1201 C LEU A 78 3.187 9.786 4.671 1.00 0.00 C ATOM 1202 O LEU A 78 4.395 9.548 4.728 1.00 0.00 O ATOM 1203 CB LEU A 78 2.403 9.524 7.046 1.00 0.00 C ATOM 1204 CG LEU A 78 2.688 11.017 7.241 1.00 0.00 C ATOM 1205 CD1 LEU A 78 1.582 11.869 6.632 1.00 0.00 C ATOM 1206 CD2 LEU A 78 2.855 11.335 8.719 1.00 0.00 C ATOM 0 H LEU A 78 3.287 7.299 5.779 1.00 0.00 H new ATOM 0 HA LEU A 78 1.192 9.340 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.510 9.265 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.229 8.956 7.473 1.00 0.00 H new ATOM 0 HG LEU A 78 3.618 11.256 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.810 12.924 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.511 11.664 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.633 11.630 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.057 12.399 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.941 11.075 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.687 10.759 9.123 1.00 0.00 H new ATOM 1218 N GLU A 79 2.652 10.657 3.817 1.00 0.00 N ATOM 1219 CA GLU A 79 3.458 11.414 2.864 1.00 0.00 C ATOM 1220 C GLU A 79 3.933 12.723 3.506 1.00 0.00 C ATOM 1221 O GLU A 79 3.125 13.471 4.061 1.00 0.00 O ATOM 1222 CB GLU A 79 2.621 11.669 1.596 1.00 0.00 C ATOM 1223 CG GLU A 79 2.844 13.023 0.939 1.00 0.00 C ATOM 1224 CD GLU A 79 1.650 13.478 0.128 1.00 0.00 C ATOM 1225 OE1 GLU A 79 1.377 12.867 -0.927 1.00 0.00 O ATOM 1226 OE2 GLU A 79 0.987 14.445 0.550 1.00 0.00 O ATOM 0 H GLU A 79 1.653 10.856 3.767 1.00 0.00 H new ATOM 0 HA GLU A 79 4.346 10.848 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.844 10.888 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.565 11.575 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.061 13.765 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.719 12.969 0.292 1.00 0.00 H new ATOM 1233 N LYS A 80 5.245 12.989 3.450 1.00 0.00 N ATOM 1234 CA LYS A 80 5.801 14.204 4.054 1.00 0.00 C ATOM 1235 C LYS A 80 6.604 15.033 3.061 1.00 0.00 C ATOM 1236 O LYS A 80 7.498 14.523 2.383 1.00 0.00 O ATOM 1237 CB LYS A 80 6.698 13.854 5.243 1.00 0.00 C ATOM 1238 CG LYS A 80 6.663 14.888 6.356 1.00 0.00 C ATOM 1239 CD LYS A 80 6.599 14.231 7.725 1.00 0.00 C ATOM 1240 CE LYS A 80 5.180 14.200 8.265 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.155 14.158 9.753 1.00 0.00 N ATOM 0 H LYS A 80 5.933 12.386 2.998 1.00 0.00 H new ATOM 0 HA LYS A 80 4.950 14.798 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.393 12.888 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.724 13.744 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.549 15.519 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.799 15.538 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.986 13.214 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.241 14.773 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.640 15.080 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.659 13.329 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.193 13.934 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.813 13.427 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.442 15.083 10.131 1.00 0.00 H new ATOM 1255 N ALA A 81 6.294 16.328 3.013 1.00 0.00 N ATOM 1256 CA ALA A 81 6.996 17.261 2.138 1.00 0.00 C ATOM 1257 C ALA A 81 8.205 17.855 2.857 1.00 0.00 C ATOM 1258 O ALA A 81 9.247 18.087 2.244 1.00 0.00 O ATOM 1259 CB ALA A 81 6.058 18.364 1.676 1.00 0.00 C ATOM 0 H ALA A 81 5.557 16.755 3.574 1.00 0.00 H new ATOM 0 HA ALA A 81 7.347 16.717 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.598 19.051 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.223 17.926 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.680 18.907 2.542 1.00 0.00 H new ATOM 1265 N SER A 82 8.058 18.086 4.167 1.00 0.00 N ATOM 1266 CA SER A 82 9.138 18.640 4.985 1.00 0.00 C ATOM 1267 C SER A 82 10.345 17.703 4.998 1.00 0.00 C ATOM 1268 O SER A 82 11.489 18.160 5.008 1.00 0.00 O ATOM 1269 CB SER A 82 8.652 18.888 6.414 1.00 0.00 C ATOM 1270 OG SER A 82 7.788 20.010 6.472 1.00 0.00 O ATOM 0 H SER A 82 7.198 17.896 4.682 1.00 0.00 H new ATOM 0 HA SER A 82 9.442 19.590 4.545 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.131 18.004 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.508 19.050 7.069 1.00 0.00 H new ATOM 0 HG SER A 82 7.490 20.146 7.396 1.00 0.00 H new ATOM 1276 N ASP A 83 10.086 16.390 4.982 1.00 0.00 N ATOM 1277 CA ASP A 83 11.159 15.400 4.973 1.00 0.00 C ATOM 1278 C ASP A 83 11.557 15.034 3.536 1.00 0.00 C ATOM 1279 O ASP A 83 12.537 14.318 3.325 1.00 0.00 O ATOM 1280 CB ASP A 83 10.731 14.145 5.738 1.00 0.00 C ATOM 1281 CG ASP A 83 10.877 14.298 7.241 1.00 0.00 C ATOM 1282 OD1 ASP A 83 11.959 13.970 7.771 1.00 0.00 O ATOM 1283 OD2 ASP A 83 9.906 14.742 7.888 1.00 0.00 O ATOM 0 H ASP A 83 9.146 15.994 4.975 1.00 0.00 H new ATOM 0 HA ASP A 83 12.027 15.837 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.693 13.915 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.330 13.298 5.403 1.00 0.00 H new ATOM 1288 N ASN A 84 10.791 15.534 2.553 1.00 0.00 N ATOM 1289 CA ASN A 84 11.053 15.272 1.137 1.00 0.00 C ATOM 1290 C ASN A 84 11.102 13.773 0.847 1.00 0.00 C ATOM 1291 O ASN A 84 12.017 13.288 0.177 1.00 0.00 O ATOM 1292 CB ASN A 84 12.356 15.950 0.701 1.00 0.00 C ATOM 1293 CG ASN A 84 12.126 17.363 0.207 1.00 0.00 C ATOM 1294 OD1 ASN A 84 12.380 18.330 0.923 1.00 0.00 O ATOM 1295 ND2 ASN A 84 11.638 17.492 -1.022 1.00 0.00 N ATOM 0 H ASN A 84 9.978 16.127 2.720 1.00 0.00 H new ATOM 0 HA ASN A 84 10.230 15.693 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.053 15.968 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.823 15.362 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.460 18.420 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.441 16.663 -1.582 1.00 0.00 H new ATOM 1302 N SER A 85 10.109 13.041 1.355 1.00 0.00 N ATOM 1303 CA SER A 85 10.040 11.601 1.148 1.00 0.00 C ATOM 1304 C SER A 85 8.737 11.025 1.704 1.00 0.00 C ATOM 1305 O SER A 85 7.817 11.761 2.073 1.00 0.00 O ATOM 1306 CB SER A 85 11.241 10.913 1.808 1.00 0.00 C ATOM 1307 OG SER A 85 11.522 9.670 1.189 1.00 0.00 O ATOM 0 H SER A 85 9.345 13.425 1.911 1.00 0.00 H new ATOM 0 HA SER A 85 10.065 11.414 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.115 11.561 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.037 10.757 2.867 1.00 0.00 H new ATOM 0 HG SER A 85 12.293 9.253 1.628 1.00 0.00 H new ATOM 1313 N LEU A 86 8.682 9.701 1.768 1.00 0.00 N ATOM 1314 CA LEU A 86 7.518 8.992 2.286 1.00 0.00 C ATOM 1315 C LEU A 86 7.817 8.451 3.681 1.00 0.00 C ATOM 1316 O LEU A 86 8.969 8.453 4.116 1.00 0.00 O ATOM 1317 CB LEU A 86 7.124 7.832 1.360 1.00 0.00 C ATOM 1318 CG LEU A 86 7.207 8.103 -0.148 1.00 0.00 C ATOM 1319 CD1 LEU A 86 6.490 9.397 -0.504 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.656 8.142 -0.615 1.00 0.00 C ATOM 0 H LEU A 86 9.440 9.090 1.464 1.00 0.00 H new ATOM 0 HA LEU A 86 6.686 9.695 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.764 6.980 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.102 7.537 1.598 1.00 0.00 H new ATOM 0 HG LEU A 86 6.708 7.284 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.562 9.569 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.441 9.322 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.953 10.228 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.688 8.336 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.187 8.934 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.132 7.184 -0.405 1.00 0.00 H new ATOM 1332 N LYS A 87 6.783 7.993 4.384 1.00 0.00 N ATOM 1333 CA LYS A 87 6.965 7.456 5.727 1.00 0.00 C ATOM 1334 C LYS A 87 5.976 6.333 6.017 1.00 0.00 C ATOM 1335 O LYS A 87 4.778 6.466 5.773 1.00 0.00 O ATOM 1336 CB LYS A 87 6.822 8.570 6.764 1.00 0.00 C ATOM 1337 CG LYS A 87 6.773 8.073 8.201 1.00 0.00 C ATOM 1338 CD LYS A 87 7.504 9.016 9.142 1.00 0.00 C ATOM 1339 CE LYS A 87 6.598 9.509 10.262 1.00 0.00 C ATOM 1340 NZ LYS A 87 6.549 10.998 10.333 1.00 0.00 N ATOM 0 H LYS A 87 5.820 7.983 4.048 1.00 0.00 H new ATOM 0 HA LYS A 87 7.970 7.038 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.658 9.261 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.913 9.134 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.735 7.974 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.220 7.081 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.367 8.506 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.884 9.869 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.591 9.121 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.952 9.113 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.921 11.288 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.505 11.369 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.187 11.377 9.435 1.00 0.00 H new ATOM 1354 N LEU A 88 6.493 5.232 6.557 1.00 0.00 N ATOM 1355 CA LEU A 88 5.667 4.082 6.904 1.00 0.00 C ATOM 1356 C LEU A 88 5.083 4.267 8.304 1.00 0.00 C ATOM 1357 O LEU A 88 5.819 4.434 9.276 1.00 0.00 O ATOM 1358 CB LEU A 88 6.498 2.791 6.828 1.00 0.00 C ATOM 1359 CG LEU A 88 5.723 1.497 6.531 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.496 0.282 7.029 1.00 0.00 C ATOM 1361 CD2 LEU A 88 4.336 1.530 7.153 1.00 0.00 C ATOM 0 H LEU A 88 7.485 5.113 6.764 1.00 0.00 H new ATOM 0 HA LEU A 88 4.846 4.003 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.258 2.919 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.022 2.666 7.775 1.00 0.00 H new ATOM 0 HG LEU A 88 5.608 1.420 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.931 -0.624 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.463 0.236 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.647 0.363 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.813 0.601 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.424 1.641 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.775 2.371 6.747 1.00 0.00 H new ATOM 1373 N VAL A 89 3.755 4.250 8.396 1.00 0.00 N ATOM 1374 CA VAL A 89 3.072 4.426 9.676 1.00 0.00 C ATOM 1375 C VAL A 89 2.960 3.096 10.420 1.00 0.00 C ATOM 1376 O VAL A 89 3.391 2.982 11.568 1.00 0.00 O ATOM 1377 CB VAL A 89 1.657 5.028 9.500 1.00 0.00 C ATOM 1378 CG1 VAL A 89 1.191 5.681 10.792 1.00 0.00 C ATOM 1379 CG2 VAL A 89 1.619 6.031 8.351 1.00 0.00 C ATOM 0 H VAL A 89 3.131 4.116 7.600 1.00 0.00 H new ATOM 0 HA VAL A 89 3.675 5.123 10.258 1.00 0.00 H new ATOM 0 HB VAL A 89 0.976 4.213 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.194 6.099 10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.162 4.935 11.587 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.882 6.477 11.067 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.611 6.435 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.318 6.843 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.901 5.533 7.423 1.00 0.00 H new ATOM 1389 N ALA A 90 2.381 2.092 9.758 1.00 0.00 N ATOM 1390 CA ALA A 90 2.215 0.768 10.358 1.00 0.00 C ATOM 1391 C ALA A 90 1.977 -0.299 9.289 1.00 0.00 C ATOM 1392 O ALA A 90 1.172 -0.103 8.378 1.00 0.00 O ATOM 1393 CB ALA A 90 1.069 0.782 11.357 1.00 0.00 C ATOM 0 H ALA A 90 2.020 2.171 8.807 1.00 0.00 H new ATOM 0 HA ALA A 90 3.137 0.517 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.957 -0.209 11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.281 1.505 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.146 1.060 10.848 1.00 0.00 H new ATOM 1399 N PHE A 91 2.680 -1.427 9.411 1.00 0.00 N ATOM 1400 CA PHE A 91 2.552 -2.528 8.457 1.00 0.00 C ATOM 1401 C PHE A 91 1.775 -3.694 9.074 1.00 0.00 C ATOM 1402 O PHE A 91 2.103 -4.164 10.165 1.00 0.00 O ATOM 1403 CB PHE A 91 3.944 -2.971 7.980 1.00 0.00 C ATOM 1404 CG PHE A 91 3.935 -3.699 6.667 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.171 -4.842 6.493 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.687 -3.232 5.601 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.158 -5.503 5.283 1.00 0.00 C ATOM 1408 CE2 PHE A 91 4.678 -3.893 4.389 1.00 0.00 C ATOM 1409 CZ PHE A 91 3.912 -5.028 4.231 1.00 0.00 C ATOM 0 H PHE A 91 3.346 -1.601 10.164 1.00 0.00 H new ATOM 0 HA PHE A 91 1.987 -2.183 7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.584 -2.093 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.389 -3.615 8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.579 -5.219 7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.286 -2.342 5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.558 -6.392 5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.270 -3.521 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.902 -5.545 3.283 1.00 0.00 H new ATOM 1419 N VAL A 92 0.723 -4.136 8.371 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.134 -5.225 8.848 1.00 0.00 C ATOM 1421 C VAL A 92 -0.382 -6.265 7.750 1.00 0.00 C ATOM 1422 O VAL A 92 -0.437 -5.924 6.568 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.498 -4.682 9.344 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.142 -5.644 10.330 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.343 -3.303 9.973 1.00 0.00 C ATOM 0 H VAL A 92 0.446 -3.753 7.467 1.00 0.00 H new ATOM 0 HA VAL A 92 0.391 -5.701 9.676 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.152 -4.591 8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.098 -5.239 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.305 -6.607 9.845 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.486 -5.777 11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.316 -2.946 10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.663 -3.365 10.822 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.940 -2.610 9.235 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.532 -7.555 8.123 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.772 -8.637 7.175 1.00 0.00 C ATOM 1437 C PRO A 93 -2.262 -8.919 6.960 1.00 0.00 C ATOM 1438 O PRO A 93 -3.044 -8.932 7.911 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.090 -9.824 7.852 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.135 -9.535 9.324 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.473 -8.070 9.498 1.00 0.00 C ATOM 0 HA PRO A 93 -0.394 -8.408 6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.606 -10.756 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.938 -9.934 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.882 -10.160 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.825 -9.763 9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.423 -7.938 10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.285 -7.552 10.086 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.643 -9.153 5.702 1.00 0.00 N ATOM 1450 CA LEU A 94 -4.036 -9.444 5.355 1.00 0.00 C ATOM 1451 C LEU A 94 -4.262 -10.951 5.176 1.00 0.00 C ATOM 1452 O LEU A 94 -5.149 -11.367 4.429 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.433 -8.701 4.068 1.00 0.00 C ATOM 1454 CG LEU A 94 -5.441 -7.561 4.245 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -6.856 -8.107 4.347 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -5.101 -6.726 5.469 1.00 0.00 C ATOM 0 H LEU A 94 -2.005 -9.147 4.906 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.662 -9.099 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.530 -8.296 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.849 -9.424 3.366 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.384 -6.918 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.556 -7.281 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.101 -8.656 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.927 -8.776 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.830 -5.922 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.124 -7.357 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.105 -6.299 5.353 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.455 -11.765 5.861 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.572 -13.219 5.766 1.00 0.00 C ATOM 1470 C PHE A 95 -3.351 -13.890 7.123 1.00 0.00 C ATOM 1471 O PHE A 95 -2.600 -13.331 7.953 1.00 0.00 O ATOM 1472 CB PHE A 95 -2.576 -13.764 4.733 1.00 0.00 C ATOM 1473 CG PHE A 95 -1.131 -13.606 5.125 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.557 -12.349 5.217 1.00 0.00 C ATOM 1475 CD2 PHE A 95 -0.349 -14.717 5.398 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.768 -12.203 5.574 1.00 0.00 C ATOM 1477 CE2 PHE A 95 0.978 -14.576 5.756 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.537 -13.317 5.844 1.00 0.00 C ATOM 1479 OXT PHE A 95 -3.934 -14.971 7.343 1.00 0.00 O ATOM 0 H PHE A 95 -2.716 -11.441 6.485 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.586 -13.452 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.783 -14.822 4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.741 -13.256 3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.153 -11.473 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.782 -15.704 5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.203 -11.217 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.577 -15.450 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.574 -13.204 6.124 1.00 0.00 H new