USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 597 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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.8!) USER MOD Single : A 21 SER OG : rot -149:sc= -1.02 USER MOD Single : A 25 SER OG : rot 180:sc= -0.994 USER MOD Single : A 27 THR OG1 : rot -130:sc= -1.41 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.606 (180deg=-1.82) USER MOD Single : A 45 TYR OH : rot 180:sc= -2.96 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-5.4!) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-0.56) USER MOD Single : A 71 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.924 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.55 F(o=-4.6!,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -4.52! C(o=-4.5!,f=-9.7!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -10.8! C(o=-11!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.448 1.069 -3.417 1.00 0.00 N ATOM 97 CA GLY A 8 7.022 2.399 -3.352 1.00 0.00 C ATOM 98 C GLY A 8 6.591 3.235 -4.536 1.00 0.00 C ATOM 99 O GLY A 8 7.285 4.169 -4.937 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.714 2.887 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.109 2.329 -3.329 1.00 0.00 H new ATOM 103 N ASP A 9 5.442 2.874 -5.108 1.00 0.00 N ATOM 104 CA ASP A 9 4.895 3.546 -6.267 1.00 0.00 C ATOM 105 C ASP A 9 3.701 2.753 -6.728 1.00 0.00 C ATOM 106 O ASP A 9 2.886 2.312 -5.918 1.00 0.00 O ATOM 107 CB ASP A 9 5.950 3.644 -7.363 1.00 0.00 C ATOM 108 CG ASP A 9 5.970 5.006 -8.030 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.019 5.315 -8.779 1.00 0.00 O ATOM 110 OD2 ASP A 9 6.937 5.764 -7.803 1.00 0.00 O ATOM 0 H ASP A 9 4.868 2.101 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 9 4.591 4.563 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.932 3.437 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.761 2.878 -8.115 1.00 0.00 H new ATOM 115 N ILE A 10 3.603 2.557 -8.008 1.00 0.00 N ATOM 116 CA ILE A 10 2.511 1.799 -8.545 1.00 0.00 C ATOM 117 C ILE A 10 2.797 0.305 -8.368 1.00 0.00 C ATOM 118 O ILE A 10 3.543 -0.315 -9.125 1.00 0.00 O ATOM 119 CB ILE A 10 2.331 2.168 -10.035 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.856 2.109 -10.429 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.169 1.291 -10.958 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.190 0.800 -10.059 1.00 0.00 C ATOM 0 H ILE A 10 4.264 2.910 -8.700 1.00 0.00 H new ATOM 0 HA ILE A 10 1.585 2.031 -8.018 1.00 0.00 H new ATOM 0 HB ILE A 10 2.690 3.190 -10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.325 2.929 -9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.768 2.263 -11.505 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.006 1.592 -11.993 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.224 1.405 -10.709 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.877 0.248 -10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.855 0.824 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.698 -0.022 -10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.248 0.655 -8.980 1.00 0.00 H new ATOM 134 N PHE A 11 2.181 -0.257 -7.337 1.00 0.00 N ATOM 135 CA PHE A 11 2.326 -1.668 -7.012 1.00 0.00 C ATOM 136 C PHE A 11 0.973 -2.372 -7.072 1.00 0.00 C ATOM 137 O PHE A 11 -0.020 -1.820 -6.620 1.00 0.00 O ATOM 138 CB PHE A 11 2.978 -1.823 -5.633 1.00 0.00 C ATOM 139 CG PHE A 11 2.872 -3.197 -5.067 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.287 -4.291 -5.802 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.359 -3.393 -3.800 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.191 -5.560 -5.282 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.259 -4.659 -3.275 1.00 0.00 C ATOM 144 CZ PHE A 11 2.675 -5.742 -4.017 1.00 0.00 C ATOM 0 H PHE A 11 1.567 0.253 -6.703 1.00 0.00 H new ATOM 0 HA PHE A 11 2.975 -2.140 -7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.031 -1.551 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.515 -1.119 -4.942 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.690 -4.148 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.034 -2.544 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.518 -6.410 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.856 -4.804 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.597 -6.738 -3.606 1.00 0.00 H new ATOM 154 N GLU A 12 0.930 -3.594 -7.586 1.00 0.00 N ATOM 155 CA GLU A 12 -0.312 -4.335 -7.648 1.00 0.00 C ATOM 156 C GLU A 12 -0.231 -5.566 -6.747 1.00 0.00 C ATOM 157 O GLU A 12 0.865 -6.081 -6.531 1.00 0.00 O ATOM 158 CB GLU A 12 -0.679 -4.700 -9.095 1.00 0.00 C ATOM 159 CG GLU A 12 -0.618 -6.189 -9.408 1.00 0.00 C ATOM 160 CD GLU A 12 -0.982 -6.497 -10.848 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.986 -5.940 -11.338 1.00 0.00 O ATOM 162 OE2 GLU A 12 -0.262 -7.295 -11.485 1.00 0.00 O ATOM 0 H GLU A 12 1.739 -4.087 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.116 -3.699 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.687 -4.339 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.006 -4.172 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.387 -6.559 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.296 -6.724 -8.743 1.00 0.00 H new ATOM 169 N VAL A 13 -1.361 -6.051 -6.195 1.00 0.00 N ATOM 170 CA VAL A 13 -1.284 -7.195 -5.331 1.00 0.00 C ATOM 171 C VAL A 13 -2.194 -8.289 -5.840 1.00 0.00 C ATOM 172 O VAL A 13 -3.419 -8.169 -5.823 1.00 0.00 O ATOM 173 CB VAL A 13 -1.636 -6.789 -3.879 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.095 -5.398 -3.568 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.135 -6.835 -3.609 1.00 0.00 C ATOM 0 H VAL A 13 -2.296 -5.669 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.265 -7.582 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.163 -7.520 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.351 -5.129 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.011 -5.395 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.535 -4.675 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.328 -6.542 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.647 -6.149 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.503 -7.848 -3.773 1.00 0.00 H new ATOM 185 N GLU A 14 -1.587 -9.343 -6.338 1.00 0.00 N ATOM 186 CA GLU A 14 -2.342 -10.427 -6.884 1.00 0.00 C ATOM 187 C GLU A 14 -2.173 -11.741 -6.120 1.00 0.00 C ATOM 188 O GLU A 14 -1.058 -12.231 -5.950 1.00 0.00 O ATOM 189 CB GLU A 14 -1.913 -10.666 -8.296 1.00 0.00 C ATOM 190 CG GLU A 14 -0.507 -11.216 -8.423 1.00 0.00 C ATOM 191 CD GLU A 14 0.025 -11.149 -9.841 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.790 -11.225 -10.784 1.00 0.00 O ATOM 193 OE2 GLU A 14 1.256 -11.019 -10.008 1.00 0.00 O ATOM 0 H GLU A 14 -0.575 -9.464 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.389 -10.132 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.609 -11.362 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.978 -9.729 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.158 -10.657 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.495 -12.252 -8.084 1.00 0.00 H new ATOM 200 N LEU A 15 -3.289 -12.329 -5.767 1.00 0.00 N ATOM 201 CA LEU A 15 -3.360 -13.636 -5.113 1.00 0.00 C ATOM 202 C LEU A 15 -4.588 -14.384 -5.598 1.00 0.00 C ATOM 203 O LEU A 15 -5.617 -13.777 -5.890 1.00 0.00 O ATOM 204 CB LEU A 15 -3.387 -13.529 -3.582 1.00 0.00 C ATOM 205 CG LEU A 15 -2.130 -14.080 -2.915 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.149 -15.602 -2.904 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.916 -13.560 -3.658 1.00 0.00 C ATOM 0 H LEU A 15 -4.205 -11.910 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.456 -14.182 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.511 -12.483 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.256 -14.066 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.090 -13.747 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.244 -15.974 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.022 -15.951 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.195 -15.973 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.010 -13.947 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.957 -13.888 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.906 -12.471 -3.622 1.00 0.00 H new ATOM 219 N ALA A 16 -4.484 -15.700 -5.665 1.00 0.00 N ATOM 220 CA ALA A 16 -5.587 -16.522 -6.094 1.00 0.00 C ATOM 221 C ALA A 16 -6.122 -17.259 -4.895 1.00 0.00 C ATOM 222 O ALA A 16 -5.362 -17.947 -4.218 1.00 0.00 O ATOM 223 CB ALA A 16 -5.118 -17.490 -7.162 1.00 0.00 C ATOM 0 H ALA A 16 -3.639 -16.219 -5.425 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.379 -15.908 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.955 -18.110 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.731 -16.932 -8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.331 -18.125 -6.757 1.00 0.00 H new ATOM 229 N LYS A 17 -7.411 -17.102 -4.604 1.00 0.00 N ATOM 230 CA LYS A 17 -7.979 -17.770 -3.434 1.00 0.00 C ATOM 231 C LYS A 17 -7.463 -19.196 -3.337 1.00 0.00 C ATOM 232 O LYS A 17 -8.027 -20.121 -3.921 1.00 0.00 O ATOM 233 CB LYS A 17 -9.501 -17.781 -3.439 1.00 0.00 C ATOM 234 CG LYS A 17 -10.069 -18.565 -2.270 1.00 0.00 C ATOM 235 CD LYS A 17 -10.870 -19.771 -2.738 1.00 0.00 C ATOM 236 CE LYS A 17 -12.107 -19.983 -1.881 1.00 0.00 C ATOM 237 NZ LYS A 17 -12.388 -21.429 -1.659 1.00 0.00 N ATOM 0 H LYS A 17 -8.066 -16.536 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.659 -17.195 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.871 -16.756 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.857 -18.215 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.256 -18.896 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.707 -17.915 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.166 -19.632 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.243 -20.662 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.972 -19.488 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.966 -19.516 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.239 -21.531 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.542 -21.897 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.579 -21.870 -1.177 1.00 0.00 H new ATOM 251 N ASN A 18 -6.372 -19.349 -2.612 1.00 0.00 N ATOM 252 CA ASN A 18 -5.749 -20.665 -2.454 1.00 0.00 C ATOM 253 C ASN A 18 -5.301 -20.919 -1.020 1.00 0.00 C ATOM 254 O ASN A 18 -5.725 -21.885 -0.387 1.00 0.00 O ATOM 255 CB ASN A 18 -4.554 -20.798 -3.398 1.00 0.00 C ATOM 256 CG ASN A 18 -4.405 -22.202 -3.951 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.083 -23.138 -3.220 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.639 -22.355 -5.249 1.00 0.00 N ATOM 0 H ASN A 18 -5.896 -18.591 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.502 -21.412 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.667 -20.096 -4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.643 -20.521 -2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.554 -23.277 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.904 -21.551 -5.818 1.00 0.00 H new ATOM 265 N ASP A 19 -4.453 -20.039 -0.511 1.00 0.00 N ATOM 266 CA ASP A 19 -3.954 -20.153 0.852 1.00 0.00 C ATOM 267 C ASP A 19 -4.231 -18.862 1.576 1.00 0.00 C ATOM 268 O ASP A 19 -4.551 -18.836 2.765 1.00 0.00 O ATOM 269 CB ASP A 19 -2.456 -20.466 0.863 1.00 0.00 C ATOM 270 CG ASP A 19 -2.179 -21.954 0.954 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.933 -22.737 0.338 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.208 -22.336 1.639 1.00 0.00 O ATOM 0 H ASP A 19 -4.094 -19.234 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.462 -20.975 1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.997 -20.068 -0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.988 -19.959 1.707 1.00 0.00 H new ATOM 277 N ASN A 20 -4.146 -17.802 0.807 1.00 0.00 N ATOM 278 CA ASN A 20 -4.417 -16.474 1.271 1.00 0.00 C ATOM 279 C ASN A 20 -4.598 -15.587 0.067 1.00 0.00 C ATOM 280 O ASN A 20 -4.094 -15.890 -1.015 1.00 0.00 O ATOM 281 CB ASN A 20 -3.299 -15.932 2.156 1.00 0.00 C ATOM 282 CG ASN A 20 -3.224 -16.636 3.497 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.174 -16.611 4.279 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.089 -17.271 3.769 1.00 0.00 N ATOM 0 H ASN A 20 -3.881 -17.846 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.319 -16.493 1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.346 -16.041 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.454 -14.865 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.980 -17.764 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.327 -17.266 3.091 1.00 0.00 H new ATOM 291 N SER A 21 -5.315 -14.505 0.237 1.00 0.00 N ATOM 292 CA SER A 21 -5.548 -13.604 -0.864 1.00 0.00 C ATOM 293 C SER A 21 -6.169 -12.336 -0.314 1.00 0.00 C ATOM 294 O SER A 21 -7.070 -11.738 -0.900 1.00 0.00 O ATOM 295 CB SER A 21 -6.449 -14.293 -1.904 1.00 0.00 C ATOM 296 OG SER A 21 -6.378 -13.639 -3.159 1.00 0.00 O ATOM 0 H SER A 21 -5.745 -14.228 1.120 1.00 0.00 H new ATOM 0 HA SER A 21 -4.618 -13.341 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.148 -15.335 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.480 -14.296 -1.551 1.00 0.00 H new ATOM 0 HG SER A 21 -7.236 -13.730 -3.624 1.00 0.00 H new ATOM 302 N LEU A 22 -5.673 -11.979 0.865 1.00 0.00 N ATOM 303 CA LEU A 22 -6.133 -10.834 1.624 1.00 0.00 C ATOM 304 C LEU A 22 -5.606 -10.965 3.039 1.00 0.00 C ATOM 305 O LEU A 22 -4.986 -11.964 3.372 1.00 0.00 O ATOM 306 CB LEU A 22 -7.636 -10.868 1.776 1.00 0.00 C ATOM 307 CG LEU A 22 -8.010 -11.518 3.107 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.899 -10.597 3.930 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.673 -12.869 2.889 1.00 0.00 C ATOM 0 H LEU A 22 -4.922 -12.493 1.326 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.802 -9.931 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.038 -9.856 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.081 -11.425 0.952 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.091 -11.687 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.152 -11.082 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.370 -9.665 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.813 -10.383 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.928 -13.309 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.580 -12.738 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.987 -13.530 2.359 1.00 0.00 H new ATOM 321 N GLY A 23 -5.940 -10.004 3.887 1.00 0.00 N ATOM 322 CA GLY A 23 -5.556 -10.079 5.282 1.00 0.00 C ATOM 323 C GLY A 23 -5.295 -8.720 5.847 1.00 0.00 C ATOM 324 O GLY A 23 -4.404 -8.531 6.659 1.00 0.00 O ATOM 0 H GLY A 23 -6.472 -9.171 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.346 -10.567 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.662 -10.695 5.383 1.00 0.00 H new ATOM 328 N ILE A 24 -6.066 -7.760 5.398 1.00 0.00 N ATOM 329 CA ILE A 24 -5.880 -6.401 5.849 1.00 0.00 C ATOM 330 C ILE A 24 -7.112 -5.842 6.525 1.00 0.00 C ATOM 331 O ILE A 24 -8.243 -6.185 6.179 1.00 0.00 O ATOM 332 CB ILE A 24 -5.483 -5.495 4.675 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.658 -5.326 3.708 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.271 -6.091 3.948 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.346 -4.432 2.527 1.00 0.00 C ATOM 0 H ILE A 24 -6.822 -7.891 4.726 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.078 -6.423 6.587 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.216 -4.511 5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.960 -6.307 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.508 -4.913 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.992 -5.445 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.434 -6.171 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.524 -7.081 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.224 -4.358 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.073 -3.439 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.516 -4.854 1.960 1.00 0.00 H new ATOM 347 N SER A 25 -6.879 -4.947 7.471 1.00 0.00 N ATOM 348 CA SER A 25 -7.947 -4.303 8.173 1.00 0.00 C ATOM 349 C SER A 25 -8.143 -2.929 7.573 1.00 0.00 C ATOM 350 O SER A 25 -7.248 -2.087 7.631 1.00 0.00 O ATOM 351 CB SER A 25 -7.668 -4.214 9.677 1.00 0.00 C ATOM 352 OG SER A 25 -7.217 -5.455 10.193 1.00 0.00 O ATOM 0 H SER A 25 -5.946 -4.656 7.763 1.00 0.00 H new ATOM 0 HA SER A 25 -8.858 -4.892 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.918 -3.446 9.865 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.575 -3.909 10.199 1.00 0.00 H new ATOM 0 HG SER A 25 -7.046 -5.367 11.154 1.00 0.00 H new ATOM 358 N VAL A 26 -9.292 -2.715 6.956 1.00 0.00 N ATOM 359 CA VAL A 26 -9.553 -1.449 6.302 1.00 0.00 C ATOM 360 C VAL A 26 -10.405 -0.536 7.166 1.00 0.00 C ATOM 361 O VAL A 26 -11.094 -0.987 8.081 1.00 0.00 O ATOM 362 CB VAL A 26 -10.238 -1.653 4.936 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.590 -2.329 5.108 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.385 -0.329 4.205 1.00 0.00 C ATOM 0 H VAL A 26 -10.050 -3.394 6.895 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.585 -0.974 6.144 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.607 -2.305 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.056 -2.463 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.453 -3.301 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.231 -1.707 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.871 -0.496 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.990 0.352 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.400 0.108 4.043 1.00 0.00 H new ATOM 374 N THR A 27 -10.309 0.762 6.887 1.00 0.00 N ATOM 375 CA THR A 27 -11.024 1.778 7.651 1.00 0.00 C ATOM 376 C THR A 27 -10.289 2.043 8.962 1.00 0.00 C ATOM 377 O THR A 27 -10.728 2.844 9.788 1.00 0.00 O ATOM 378 CB THR A 27 -12.467 1.350 7.938 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.076 0.814 6.778 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.340 2.482 8.434 1.00 0.00 C ATOM 0 H THR A 27 -9.737 1.136 6.130 1.00 0.00 H new ATOM 0 HA THR A 27 -11.058 2.691 7.056 1.00 0.00 H new ATOM 0 HB THR A 27 -12.391 0.599 8.724 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.946 1.243 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.348 2.110 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.926 2.882 9.360 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.375 3.270 7.682 1.00 0.00 H new ATOM 388 N VAL A 28 -9.163 1.355 9.140 1.00 0.00 N ATOM 389 CA VAL A 28 -8.348 1.489 10.328 1.00 0.00 C ATOM 390 C VAL A 28 -7.569 2.796 10.316 1.00 0.00 C ATOM 391 O VAL A 28 -7.427 3.450 11.351 1.00 0.00 O ATOM 392 CB VAL A 28 -7.366 0.315 10.432 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.123 -1.002 10.431 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.379 0.354 9.281 1.00 0.00 C ATOM 0 H VAL A 28 -8.796 0.690 8.459 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.015 1.488 11.190 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.814 0.401 11.368 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.416 -1.828 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.805 -1.030 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.692 -1.094 9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.687 -0.484 9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.919 0.285 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.821 1.290 9.312 1.00 0.00 H new ATOM 404 N LEU A 29 -7.083 3.194 9.140 1.00 0.00 N ATOM 405 CA LEU A 29 -6.356 4.429 9.013 1.00 0.00 C ATOM 406 C LEU A 29 -7.158 5.379 8.167 1.00 0.00 C ATOM 407 O LEU A 29 -6.857 6.569 8.058 1.00 0.00 O ATOM 408 CB LEU A 29 -4.980 4.192 8.394 1.00 0.00 C ATOM 409 CG LEU A 29 -4.159 3.061 9.022 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.682 3.251 8.718 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.383 2.998 10.527 1.00 0.00 C ATOM 0 H LEU A 29 -7.186 2.671 8.271 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.201 4.859 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.110 3.977 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.406 5.116 8.464 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.491 2.118 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.110 2.441 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.529 3.245 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.346 4.204 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.789 2.187 10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.081 3.943 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.439 2.819 10.731 1.00 0.00 H new ATOM 423 N PHE A 30 -8.183 4.821 7.564 1.00 0.00 N ATOM 424 CA PHE A 30 -9.063 5.560 6.707 1.00 0.00 C ATOM 425 C PHE A 30 -10.525 5.260 7.035 1.00 0.00 C ATOM 426 O PHE A 30 -10.817 4.536 7.984 1.00 0.00 O ATOM 427 CB PHE A 30 -8.737 5.206 5.268 1.00 0.00 C ATOM 428 CG PHE A 30 -8.884 6.267 4.393 1.00 0.00 C ATOM 429 CD1 PHE A 30 -7.912 7.177 4.383 1.00 0.00 C ATOM 430 CD2 PHE A 30 -9.910 6.316 3.534 1.00 0.00 C ATOM 431 CE1 PHE A 30 -7.935 8.157 3.522 1.00 0.00 C ATOM 432 CE2 PHE A 30 -9.973 7.308 2.655 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.972 8.257 2.629 1.00 0.00 C ATOM 0 H PHE A 30 -8.426 3.835 7.659 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.918 6.629 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.711 4.841 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.383 4.389 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.100 7.103 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.678 5.557 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.140 8.888 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.802 7.372 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.004 9.067 1.916 1.00 0.00 H new ATOM 443 N ASP A 31 -11.440 5.829 6.256 1.00 0.00 N ATOM 444 CA ASP A 31 -12.868 5.620 6.475 1.00 0.00 C ATOM 445 C ASP A 31 -13.337 4.316 5.835 1.00 0.00 C ATOM 446 O ASP A 31 -14.339 3.735 6.250 1.00 0.00 O ATOM 447 CB ASP A 31 -13.667 6.796 5.909 1.00 0.00 C ATOM 448 CG ASP A 31 -13.424 8.083 6.674 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.349 8.209 7.295 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.310 8.963 6.650 1.00 0.00 O ATOM 0 H ASP A 31 -11.219 6.438 5.468 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.038 5.554 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.400 6.943 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.730 6.556 5.936 1.00 0.00 H new ATOM 455 N LYS A 32 -12.603 3.861 4.823 1.00 0.00 N ATOM 456 CA LYS A 32 -12.935 2.625 4.124 1.00 0.00 C ATOM 457 C LYS A 32 -11.877 2.289 3.079 1.00 0.00 C ATOM 458 O LYS A 32 -12.203 1.963 1.937 1.00 0.00 O ATOM 459 CB LYS A 32 -14.319 2.702 3.454 1.00 0.00 C ATOM 460 CG LYS A 32 -14.772 4.105 3.079 1.00 0.00 C ATOM 461 CD LYS A 32 -13.973 4.652 1.912 1.00 0.00 C ATOM 462 CE LYS A 32 -12.951 5.672 2.378 1.00 0.00 C ATOM 463 NZ LYS A 32 -13.396 7.068 2.108 1.00 0.00 N ATOM 0 H LYS A 32 -11.771 4.333 4.468 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.962 1.834 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.305 2.088 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.057 2.265 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.831 4.090 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.662 4.766 3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.467 3.834 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.647 5.112 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.775 5.547 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.001 5.490 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.572 7.703 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.857 7.111 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.070 7.366 2.842 1.00 0.00 H new ATOM 477 N GLY A 33 -10.604 2.368 3.469 1.00 0.00 N ATOM 478 CA GLY A 33 -9.538 2.066 2.530 1.00 0.00 C ATOM 479 C GLY A 33 -9.705 2.848 1.235 1.00 0.00 C ATOM 480 O GLY A 33 -9.402 4.040 1.177 1.00 0.00 O ATOM 0 H GLY A 33 -10.297 2.632 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.575 2.305 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.532 0.998 2.314 1.00 0.00 H new ATOM 484 N GLY A 34 -10.195 2.165 0.195 1.00 0.00 N ATOM 485 CA GLY A 34 -10.399 2.792 -1.103 1.00 0.00 C ATOM 486 C GLY A 34 -11.252 4.042 -1.039 1.00 0.00 C ATOM 487 O GLY A 34 -11.906 4.294 -0.029 1.00 0.00 O ATOM 0 H GLY A 34 -10.456 1.180 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.430 3.044 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.869 2.074 -1.775 1.00 0.00 H new ATOM 491 N VAL A 35 -11.221 4.841 -2.117 1.00 0.00 N ATOM 492 CA VAL A 35 -11.960 6.091 -2.199 1.00 0.00 C ATOM 493 C VAL A 35 -11.315 6.910 -3.301 1.00 0.00 C ATOM 494 O VAL A 35 -10.685 6.347 -4.189 1.00 0.00 O ATOM 495 CB VAL A 35 -11.877 6.834 -0.845 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.420 7.001 -0.422 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.644 8.154 -0.834 1.00 0.00 C ATOM 0 H VAL A 35 -10.678 4.629 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.014 5.919 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.378 6.213 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.376 7.525 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.956 6.020 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.886 7.577 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.545 8.624 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.238 8.817 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.697 7.964 -1.041 1.00 0.00 H new ATOM 604 N GLY A 42 -7.866 7.202 -6.848 1.00 0.00 N ATOM 605 CA GLY A 42 -8.573 6.574 -5.766 1.00 0.00 C ATOM 606 C GLY A 42 -7.944 6.926 -4.446 1.00 0.00 C ATOM 607 O GLY A 42 -8.009 8.074 -4.007 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.616 6.891 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.568 5.492 -5.900 1.00 0.00 H new ATOM 611 N GLY A 43 -7.272 5.961 -3.838 1.00 0.00 N ATOM 612 CA GLY A 43 -6.583 6.259 -2.594 1.00 0.00 C ATOM 613 C GLY A 43 -6.937 5.404 -1.381 1.00 0.00 C ATOM 614 O GLY A 43 -7.475 5.926 -0.405 1.00 0.00 O ATOM 0 H GLY A 43 -7.190 5.000 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.511 6.168 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.777 7.301 -2.341 1.00 0.00 H new ATOM 618 N ILE A 44 -6.611 4.112 -1.404 1.00 0.00 N ATOM 619 CA ILE A 44 -6.886 3.254 -0.237 1.00 0.00 C ATOM 620 C ILE A 44 -5.898 3.496 0.887 1.00 0.00 C ATOM 621 O ILE A 44 -4.685 3.414 0.706 1.00 0.00 O ATOM 622 CB ILE A 44 -6.864 1.738 -0.518 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.460 0.966 0.673 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.439 1.253 -0.804 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.923 -0.443 0.843 1.00 0.00 C ATOM 0 H ILE A 44 -6.168 3.640 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.900 3.541 0.039 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.472 1.548 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.266 1.528 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.542 0.917 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.452 0.181 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.045 1.775 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.805 1.457 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.398 -0.912 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.140 -1.026 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.845 -0.405 0.998 1.00 0.00 H new ATOM 637 N TYR A 45 -6.440 3.723 2.059 1.00 0.00 N ATOM 638 CA TYR A 45 -5.632 3.909 3.255 1.00 0.00 C ATOM 639 C TYR A 45 -6.055 2.899 4.298 1.00 0.00 C ATOM 640 O TYR A 45 -7.246 2.691 4.522 1.00 0.00 O ATOM 641 CB TYR A 45 -5.709 5.322 3.769 1.00 0.00 C ATOM 642 CG TYR A 45 -5.021 6.332 2.910 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.635 6.813 1.775 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.773 6.819 3.247 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.025 7.754 0.986 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.151 7.764 2.468 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.779 8.231 1.334 1.00 0.00 C ATOM 648 OH TYR A 45 -3.164 9.180 0.550 1.00 0.00 O ATOM 0 H TYR A 45 -7.446 3.785 2.218 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.584 3.740 3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.758 5.602 3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.274 5.356 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.612 6.443 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.280 6.452 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.518 8.119 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.176 8.139 2.743 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.293 9.409 0.936 1.00 0.00 H new ATOM 658 N VAL A 46 -5.088 2.172 4.838 1.00 0.00 N ATOM 659 CA VAL A 46 -5.407 1.086 5.717 1.00 0.00 C ATOM 660 C VAL A 46 -4.312 0.728 6.730 1.00 0.00 C ATOM 661 O VAL A 46 -3.295 1.408 6.822 1.00 0.00 O ATOM 662 CB VAL A 46 -5.619 -0.064 4.750 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.331 -0.753 4.412 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.685 -0.998 5.258 1.00 0.00 C ATOM 0 H VAL A 46 -4.092 2.321 4.678 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.259 1.336 6.349 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.985 0.341 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.527 -1.570 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.647 -0.040 3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.881 -1.150 5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.821 -1.815 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.384 -1.402 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.623 -0.454 5.368 1.00 0.00 H new ATOM 674 N LYS A 47 -4.505 -0.406 7.433 1.00 0.00 N ATOM 675 CA LYS A 47 -3.484 -0.903 8.372 1.00 0.00 C ATOM 676 C LYS A 47 -2.574 -1.793 7.561 1.00 0.00 C ATOM 677 O LYS A 47 -1.424 -2.065 7.905 1.00 0.00 O ATOM 678 CB LYS A 47 -4.078 -1.698 9.546 1.00 0.00 C ATOM 679 CG LYS A 47 -4.559 -3.095 9.175 1.00 0.00 C ATOM 680 CD LYS A 47 -4.647 -3.994 10.399 1.00 0.00 C ATOM 681 CE LYS A 47 -3.290 -4.165 11.063 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.095 -5.548 11.581 1.00 0.00 N ATOM 0 H LYS A 47 -5.343 -0.985 7.370 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.962 -0.059 8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.326 -1.781 10.331 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.914 -1.137 9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.537 -3.030 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.878 -3.535 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.352 -3.569 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.036 -4.970 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.503 -3.932 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.195 -3.453 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.158 -5.623 12.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.831 -5.762 12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.160 -6.226 10.795 1.00 0.00 H new ATOM 696 N ALA A 48 -3.144 -2.186 6.432 1.00 0.00 N ATOM 697 CA ALA A 48 -2.537 -2.972 5.439 1.00 0.00 C ATOM 698 C ALA A 48 -2.602 -4.455 5.761 1.00 0.00 C ATOM 699 O ALA A 48 -3.611 -4.930 6.268 1.00 0.00 O ATOM 700 CB ALA A 48 -1.175 -2.437 5.239 1.00 0.00 C ATOM 0 H ALA A 48 -4.104 -1.934 6.197 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.076 -2.906 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.664 -3.020 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.236 -1.396 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.618 -2.500 6.174 1.00 0.00 H new ATOM 706 N VAL A 49 -1.576 -5.201 5.405 1.00 0.00 N ATOM 707 CA VAL A 49 -1.601 -6.624 5.570 1.00 0.00 C ATOM 708 C VAL A 49 -1.362 -7.174 6.952 1.00 0.00 C ATOM 709 O VAL A 49 -0.474 -6.766 7.699 1.00 0.00 O ATOM 710 CB VAL A 49 -0.598 -7.248 4.643 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.132 -7.199 3.242 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.744 -6.569 4.765 1.00 0.00 C ATOM 0 H VAL A 49 -0.715 -4.835 4.999 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.635 -6.884 5.344 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.442 -8.291 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.410 -7.650 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.071 -7.749 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.303 -6.162 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.453 -7.039 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.642 -5.514 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.108 -6.663 5.788 1.00 0.00 H new ATOM 722 N ILE A 50 -2.196 -8.169 7.217 1.00 0.00 N ATOM 723 CA ILE A 50 -2.197 -8.942 8.443 1.00 0.00 C ATOM 724 C ILE A 50 -0.773 -9.263 8.889 1.00 0.00 C ATOM 725 O ILE A 50 0.163 -9.200 8.093 1.00 0.00 O ATOM 726 CB ILE A 50 -2.979 -10.267 8.208 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.849 -10.609 9.418 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.048 -11.418 7.864 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.235 -11.090 9.050 1.00 0.00 C ATOM 0 H ILE A 50 -2.915 -8.468 6.558 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.676 -8.355 9.226 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.633 -10.112 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.351 -11.379 10.007 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.936 -9.728 10.053 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.633 -12.325 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.496 -11.180 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.346 -11.576 8.683 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.795 -11.314 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.752 -10.313 8.487 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.158 -11.990 8.440 1.00 0.00 H new ATOM 741 N PRO A 51 -0.589 -9.625 10.165 1.00 0.00 N ATOM 742 CA PRO A 51 0.720 -9.968 10.698 1.00 0.00 C ATOM 743 C PRO A 51 1.139 -11.379 10.347 1.00 0.00 C ATOM 744 O PRO A 51 2.324 -11.711 10.299 1.00 0.00 O ATOM 745 CB PRO A 51 0.548 -9.833 12.217 1.00 0.00 C ATOM 746 CG PRO A 51 -0.865 -9.387 12.440 1.00 0.00 C ATOM 747 CD PRO A 51 -1.625 -9.733 11.193 1.00 0.00 C ATOM 0 HA PRO A 51 1.497 -9.325 10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.740 -10.783 12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.254 -9.110 12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.296 -9.886 13.308 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.907 -8.315 12.635 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.051 -10.735 11.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.451 -9.044 11.014 1.00 0.00 H new ATOM 755 N GLN A 52 0.146 -12.191 10.130 1.00 0.00 N ATOM 756 CA GLN A 52 0.347 -13.599 9.801 1.00 0.00 C ATOM 757 C GLN A 52 0.424 -13.847 8.297 1.00 0.00 C ATOM 758 O GLN A 52 0.298 -14.986 7.845 1.00 0.00 O ATOM 759 CB GLN A 52 -0.762 -14.454 10.416 1.00 0.00 C ATOM 760 CG GLN A 52 -2.141 -14.162 9.849 1.00 0.00 C ATOM 761 CD GLN A 52 -3.231 -14.978 10.516 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.145 -16.204 10.594 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.265 -14.301 11.001 1.00 0.00 N ATOM 0 H GLN A 52 -0.833 -11.909 10.173 1.00 0.00 H new ATOM 0 HA GLN A 52 1.309 -13.887 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.528 -15.507 10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.780 -14.291 11.494 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.362 -13.101 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.141 -14.369 8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.295 -13.285 10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.029 -14.797 11.460 1.00 0.00 H new ATOM 772 N GLY A 53 0.654 -12.794 7.530 1.00 0.00 N ATOM 773 CA GLY A 53 0.770 -12.948 6.090 1.00 0.00 C ATOM 774 C GLY A 53 -0.492 -12.567 5.339 1.00 0.00 C ATOM 775 O GLY A 53 -0.725 -11.396 5.058 1.00 0.00 O ATOM 0 H GLY A 53 0.762 -11.839 7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.596 -12.334 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.021 -13.984 5.862 1.00 0.00 H new ATOM 779 N ALA A 54 -1.316 -13.561 5.031 1.00 0.00 N ATOM 780 CA ALA A 54 -2.567 -13.347 4.323 1.00 0.00 C ATOM 781 C ALA A 54 -2.434 -12.304 3.194 1.00 0.00 C ATOM 782 O ALA A 54 -1.762 -12.573 2.200 1.00 0.00 O ATOM 783 CB ALA A 54 -3.632 -13.008 5.332 1.00 0.00 C ATOM 0 H ALA A 54 -1.134 -14.537 5.266 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.858 -14.262 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.580 -12.844 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.739 -13.831 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.349 -12.103 5.870 1.00 0.00 H new ATOM 789 N ALA A 55 -3.051 -11.114 3.327 1.00 0.00 N ATOM 790 CA ALA A 55 -2.937 -10.095 2.285 1.00 0.00 C ATOM 791 C ALA A 55 -1.476 -9.846 2.010 1.00 0.00 C ATOM 792 O ALA A 55 -1.052 -9.612 0.886 1.00 0.00 O ATOM 793 CB ALA A 55 -3.639 -8.812 2.685 1.00 0.00 C ATOM 0 H ALA A 55 -3.620 -10.845 4.130 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.426 -10.454 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.534 -8.076 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.696 -9.014 2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.192 -8.422 3.599 1.00 0.00 H new ATOM 799 N GLU A 56 -0.724 -9.919 3.083 1.00 0.00 N ATOM 800 CA GLU A 56 0.721 -9.733 3.045 1.00 0.00 C ATOM 801 C GLU A 56 1.326 -10.731 2.057 1.00 0.00 C ATOM 802 O GLU A 56 2.301 -10.439 1.365 1.00 0.00 O ATOM 803 CB GLU A 56 1.290 -9.913 4.449 1.00 0.00 C ATOM 804 CG GLU A 56 2.646 -9.253 4.655 1.00 0.00 C ATOM 805 CD GLU A 56 2.737 -8.509 5.973 1.00 0.00 C ATOM 806 OE1 GLU A 56 2.434 -9.118 7.022 1.00 0.00 O ATOM 807 OE2 GLU A 56 3.111 -7.318 5.958 1.00 0.00 O ATOM 0 H GLU A 56 -1.092 -10.110 4.015 1.00 0.00 H new ATOM 0 HA GLU A 56 0.971 -8.727 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.584 -9.503 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.380 -10.979 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.426 -10.014 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.837 -8.559 3.836 1.00 0.00 H new ATOM 814 N SER A 57 0.673 -11.883 1.958 1.00 0.00 N ATOM 815 CA SER A 57 1.041 -12.931 1.018 1.00 0.00 C ATOM 816 C SER A 57 0.508 -12.494 -0.325 1.00 0.00 C ATOM 817 O SER A 57 1.198 -12.552 -1.342 1.00 0.00 O ATOM 818 CB SER A 57 0.445 -14.280 1.431 1.00 0.00 C ATOM 819 OG SER A 57 1.465 -15.219 1.725 1.00 0.00 O ATOM 0 H SER A 57 -0.135 -12.117 2.535 1.00 0.00 H new ATOM 0 HA SER A 57 2.122 -13.071 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.194 -14.147 2.304 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.186 -14.663 0.629 1.00 0.00 H new ATOM 0 HG SER A 57 1.059 -16.071 1.988 1.00 0.00 H new ATOM 825 N ASP A 58 -0.707 -11.941 -0.280 1.00 0.00 N ATOM 826 CA ASP A 58 -1.316 -11.356 -1.452 1.00 0.00 C ATOM 827 C ASP A 58 -0.392 -10.246 -1.900 1.00 0.00 C ATOM 828 O ASP A 58 -0.397 -9.828 -3.057 1.00 0.00 O ATOM 829 CB ASP A 58 -2.709 -10.812 -1.125 1.00 0.00 C ATOM 830 CG ASP A 58 -3.315 -10.022 -2.262 1.00 0.00 C ATOM 831 OD1 ASP A 58 -2.838 -10.161 -3.407 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.270 -9.263 -2.002 1.00 0.00 O ATOM 0 H ASP A 58 -1.280 -11.892 0.562 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.449 -12.097 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.368 -11.643 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.647 -10.177 -0.241 1.00 0.00 H new ATOM 837 N GLY A 59 0.403 -9.766 -0.937 1.00 0.00 N ATOM 838 CA GLY A 59 1.328 -8.695 -1.220 1.00 0.00 C ATOM 839 C GLY A 59 0.593 -7.405 -1.390 1.00 0.00 C ATOM 840 O GLY A 59 0.743 -6.732 -2.398 1.00 0.00 O ATOM 0 H GLY A 59 0.416 -10.104 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.050 -8.605 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.892 -8.922 -2.125 1.00 0.00 H new ATOM 844 N ARG A 60 -0.203 -7.071 -0.384 1.00 0.00 N ATOM 845 CA ARG A 60 -0.990 -5.854 -0.393 1.00 0.00 C ATOM 846 C ARG A 60 -0.551 -4.994 0.762 1.00 0.00 C ATOM 847 O ARG A 60 -1.348 -4.596 1.612 1.00 0.00 O ATOM 848 CB ARG A 60 -2.480 -6.194 -0.287 1.00 0.00 C ATOM 849 CG ARG A 60 -3.395 -4.991 -0.437 1.00 0.00 C ATOM 850 CD ARG A 60 -4.781 -5.279 0.117 1.00 0.00 C ATOM 851 NE ARG A 60 -5.509 -6.237 -0.710 1.00 0.00 N ATOM 852 CZ ARG A 60 -6.277 -7.214 -0.226 1.00 0.00 C ATOM 853 NH1 ARG A 60 -6.434 -7.365 1.082 1.00 0.00 N ATOM 854 NH2 ARG A 60 -6.892 -8.041 -1.057 1.00 0.00 N ATOM 0 H ARG A 60 -0.319 -7.636 0.457 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.837 -5.311 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.731 -6.928 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.668 -6.664 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.963 -4.136 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.471 -4.718 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.693 -5.668 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.347 -4.350 0.180 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.425 -6.154 -1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.965 -6.731 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.024 -8.116 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.778 -7.930 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.480 -8.789 -0.690 1.00 0.00 H new ATOM 868 N ILE A 61 0.748 -4.768 0.813 1.00 0.00 N ATOM 869 CA ILE A 61 1.355 -4.048 1.845 1.00 0.00 C ATOM 870 C ILE A 61 1.383 -2.561 1.635 1.00 0.00 C ATOM 871 O ILE A 61 1.637 -2.063 0.541 1.00 0.00 O ATOM 872 CB ILE A 61 2.779 -4.514 2.020 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.437 -4.966 0.703 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.809 -5.632 3.030 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.368 -3.942 -0.411 1.00 0.00 C ATOM 0 H ILE A 61 1.402 -5.102 0.105 1.00 0.00 H new ATOM 0 HA ILE A 61 0.744 -4.240 2.727 1.00 0.00 H new ATOM 0 HB ILE A 61 3.361 -3.663 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.483 -5.206 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.956 -5.885 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.835 -5.975 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.421 -5.272 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.193 -6.459 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.854 -4.340 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.325 -3.719 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.875 -3.029 -0.098 1.00 0.00 H new ATOM 887 N HIS A 62 1.170 -1.886 2.748 1.00 0.00 N ATOM 888 CA HIS A 62 1.202 -0.449 2.851 1.00 0.00 C ATOM 889 C HIS A 62 -0.028 0.044 3.589 1.00 0.00 C ATOM 890 O HIS A 62 -1.139 0.026 3.060 1.00 0.00 O ATOM 891 CB HIS A 62 1.325 0.274 1.510 1.00 0.00 C ATOM 892 CG HIS A 62 2.746 0.549 1.128 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.267 1.822 1.035 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.764 -0.294 0.830 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.542 1.751 0.695 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.868 0.479 0.566 1.00 0.00 N ATOM 0 H HIS A 62 0.963 -2.345 3.635 1.00 0.00 H new ATOM 0 HA HIS A 62 2.108 -0.209 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.855 -0.329 0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.778 1.215 1.558 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.749 2.685 1.203 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.716 -1.373 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.204 2.591 0.548 1.00 0.00 H new ATOM 905 N LYS A 63 0.183 0.487 4.812 1.00 0.00 N ATOM 906 CA LYS A 63 -0.901 0.995 5.636 1.00 0.00 C ATOM 907 C LYS A 63 -1.140 2.450 5.311 1.00 0.00 C ATOM 908 O LYS A 63 -0.297 3.298 5.610 1.00 0.00 O ATOM 909 CB LYS A 63 -0.564 0.843 7.117 1.00 0.00 C ATOM 910 CG LYS A 63 0.820 1.357 7.482 1.00 0.00 C ATOM 911 CD LYS A 63 1.809 0.216 7.662 1.00 0.00 C ATOM 912 CE LYS A 63 1.922 -0.199 9.119 1.00 0.00 C ATOM 913 NZ LYS A 63 2.479 0.891 9.967 1.00 0.00 N ATOM 0 H LYS A 63 1.099 0.506 5.261 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.803 0.421 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.308 1.378 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.636 -0.209 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.177 2.029 6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.762 1.938 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.493 -0.638 7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.788 0.520 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.938 -0.482 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.559 -1.080 9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.929 0.480 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.185 1.427 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.712 1.529 10.261 1.00 0.00 H new ATOM 927 N GLY A 64 -2.267 2.755 4.679 1.00 0.00 N ATOM 928 CA GLY A 64 -2.503 4.140 4.331 1.00 0.00 C ATOM 929 C GLY A 64 -1.715 4.529 3.111 1.00 0.00 C ATOM 930 O GLY A 64 -0.501 4.702 3.172 1.00 0.00 O ATOM 0 H GLY A 64 -2.996 2.095 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.566 4.297 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.226 4.782 5.168 1.00 0.00 H new ATOM 934 N ASP A 65 -2.408 4.632 1.996 1.00 0.00 N ATOM 935 CA ASP A 65 -1.762 4.970 0.728 1.00 0.00 C ATOM 936 C ASP A 65 -2.796 5.272 -0.346 1.00 0.00 C ATOM 937 O ASP A 65 -3.976 5.420 -0.034 1.00 0.00 O ATOM 938 CB ASP A 65 -0.884 3.809 0.302 1.00 0.00 C ATOM 939 CG ASP A 65 0.561 4.216 0.102 1.00 0.00 C ATOM 940 OD1 ASP A 65 0.813 5.128 -0.712 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.441 3.627 0.765 1.00 0.00 O ATOM 0 H ASP A 65 -3.416 4.489 1.933 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.154 5.865 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.936 3.023 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.271 3.387 -0.626 1.00 0.00 H new ATOM 946 N ARG A 66 -2.377 5.385 -1.618 1.00 0.00 N ATOM 947 CA ARG A 66 -3.364 5.681 -2.651 1.00 0.00 C ATOM 948 C ARG A 66 -3.336 4.765 -3.886 1.00 0.00 C ATOM 949 O ARG A 66 -2.459 4.853 -4.733 1.00 0.00 O ATOM 950 CB ARG A 66 -3.213 7.132 -3.109 1.00 0.00 C ATOM 951 CG ARG A 66 -3.172 8.134 -1.966 1.00 0.00 C ATOM 952 CD ARG A 66 -1.887 8.948 -1.980 1.00 0.00 C ATOM 953 NE ARG A 66 -1.625 9.535 -3.293 1.00 0.00 N ATOM 954 CZ ARG A 66 -0.761 10.526 -3.502 1.00 0.00 C ATOM 955 NH1 ARG A 66 -0.074 11.042 -2.490 1.00 0.00 N ATOM 956 NH2 ARG A 66 -0.582 11.002 -4.726 1.00 0.00 N ATOM 0 H ARG A 66 -1.414 5.281 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.326 5.499 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.299 7.225 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.042 7.383 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.029 8.804 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.259 7.607 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.952 9.741 -1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.051 8.310 -1.695 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.134 9.164 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.207 10.679 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.587 11.801 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.106 10.609 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.080 11.761 -4.886 1.00 0.00 H new ATOM 970 N VAL A 67 -4.362 3.927 -3.973 1.00 0.00 N ATOM 971 CA VAL A 67 -4.612 3.016 -5.020 1.00 0.00 C ATOM 972 C VAL A 67 -5.302 3.579 -6.217 1.00 0.00 C ATOM 973 O VAL A 67 -6.255 4.352 -6.120 1.00 0.00 O ATOM 974 CB VAL A 67 -5.481 1.873 -4.558 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.593 0.740 -4.346 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.271 2.182 -3.325 1.00 0.00 C ATOM 0 H VAL A 67 -5.078 3.884 -3.247 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.607 2.706 -5.307 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.234 1.661 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.173 -0.119 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.089 0.493 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.851 0.996 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.872 1.315 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.591 2.424 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.926 3.032 -3.516 1.00 0.00 H new ATOM 986 N LEU A 68 -4.866 3.087 -7.349 1.00 0.00 N ATOM 987 CA LEU A 68 -5.500 3.439 -8.587 1.00 0.00 C ATOM 988 C LEU A 68 -6.702 2.514 -8.767 1.00 0.00 C ATOM 989 O LEU A 68 -7.814 2.976 -9.022 1.00 0.00 O ATOM 990 CB LEU A 68 -4.538 3.334 -9.777 1.00 0.00 C ATOM 991 CG LEU A 68 -3.663 2.081 -9.822 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.342 1.709 -11.264 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.385 2.298 -9.027 1.00 0.00 C ATOM 0 H LEU A 68 -4.078 2.445 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.820 4.481 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.122 3.378 -10.696 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.887 4.208 -9.771 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.213 1.256 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.718 0.815 -11.279 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.268 1.514 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.809 2.531 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.773 1.397 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.830 3.134 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.635 2.519 -7.989 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.484 1.202 -8.583 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.561 0.233 -8.671 1.00 0.00 C ATOM 1007 C ALA A 69 -7.476 -0.711 -7.493 1.00 0.00 C ATOM 1008 O ALA A 69 -6.386 -0.979 -7.017 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.501 -0.528 -9.987 1.00 0.00 C ATOM 0 H ALA A 69 -5.570 0.800 -8.373 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.518 0.755 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.318 -1.248 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.592 0.173 -10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.550 -1.055 -10.060 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.601 -1.234 -7.052 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.626 -2.181 -5.956 1.00 0.00 C ATOM 1017 C VAL A 70 -9.303 -3.456 -6.417 1.00 0.00 C ATOM 1018 O VAL A 70 -10.240 -3.417 -7.211 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.349 -1.617 -4.737 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.788 -1.386 -5.101 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.228 -2.559 -3.548 1.00 0.00 C ATOM 0 H VAL A 70 -9.519 -1.017 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.598 -2.388 -5.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.891 -0.672 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.321 -0.982 -4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.845 -0.678 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.244 -2.330 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.752 -2.134 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.669 -3.523 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.176 -2.696 -3.298 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.813 -4.578 -5.934 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.343 -5.881 -6.311 1.00 0.00 C ATOM 1033 C ASN A 71 -9.559 -5.964 -7.818 1.00 0.00 C ATOM 1034 O ASN A 71 -10.291 -6.827 -8.303 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.660 -6.119 -5.615 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.062 -7.583 -5.598 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.636 -8.365 -6.448 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -11.884 -7.962 -4.626 1.00 0.00 N ATOM 0 H ASN A 71 -8.039 -4.618 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.619 -6.640 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.595 -5.753 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.438 -5.539 -6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.186 -8.934 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.213 -7.281 -3.942 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.932 -5.055 -8.556 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.097 -5.055 -9.998 1.00 0.00 C ATOM 1047 C GLY A 72 -9.979 -3.925 -10.489 1.00 0.00 C ATOM 1048 O GLY A 72 -9.842 -3.485 -11.630 1.00 0.00 O ATOM 0 H GLY A 72 -8.320 -4.327 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.118 -4.977 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.527 -6.007 -10.310 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.864 -3.423 -9.629 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.719 -2.314 -10.019 1.00 0.00 C ATOM 1054 C VAL A 73 -10.979 -1.025 -9.749 1.00 0.00 C ATOM 1055 O VAL A 73 -10.280 -0.915 -8.756 1.00 0.00 O ATOM 1056 CB VAL A 73 -13.098 -2.287 -9.280 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.893 -1.037 -9.650 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.892 -3.545 -9.599 1.00 0.00 C ATOM 0 H VAL A 73 -11.003 -3.761 -8.677 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.946 -2.438 -11.078 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.911 -2.257 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.847 -1.043 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.328 -0.149 -9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.073 -1.025 -10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.849 -3.513 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.065 -3.603 -10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.331 -4.421 -9.274 1.00 0.00 H new ATOM 1068 N SER A 74 -11.131 -0.047 -10.615 1.00 0.00 N ATOM 1069 CA SER A 74 -10.455 1.215 -10.402 1.00 0.00 C ATOM 1070 C SER A 74 -11.249 1.976 -9.372 1.00 0.00 C ATOM 1071 O SER A 74 -12.412 2.308 -9.611 1.00 0.00 O ATOM 1072 CB SER A 74 -10.364 2.011 -11.707 1.00 0.00 C ATOM 1073 OG SER A 74 -9.106 1.824 -12.332 1.00 0.00 O ATOM 0 H SER A 74 -11.704 -0.097 -11.457 1.00 0.00 H new ATOM 0 HA SER A 74 -9.435 1.048 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.160 1.699 -12.383 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.518 3.070 -11.502 1.00 0.00 H new ATOM 0 HG SER A 74 -9.074 2.341 -13.164 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.655 2.247 -8.208 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.370 2.935 -7.206 1.00 0.00 C ATOM 1081 C LEU A 75 -11.000 4.372 -7.294 1.00 0.00 C ATOM 1082 O LEU A 75 -10.229 4.882 -6.497 1.00 0.00 O ATOM 1083 CB LEU A 75 -11.012 2.383 -5.836 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.547 2.581 -5.459 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.410 2.888 -3.979 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.727 1.362 -5.834 1.00 0.00 C ATOM 0 H LEU A 75 -9.697 1.994 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.443 2.810 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.639 2.863 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.244 1.318 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.163 3.434 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.357 3.026 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.960 3.799 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.814 2.060 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.686 1.525 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.111 0.489 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.794 1.195 -6.909 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.562 5.034 -8.256 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.271 6.419 -8.424 1.00 0.00 C ATOM 1100 C GLU A 76 -12.298 7.228 -7.652 1.00 0.00 C ATOM 1101 O GLU A 76 -12.761 8.274 -8.106 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.273 6.807 -9.904 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.254 7.879 -10.253 1.00 0.00 C ATOM 1104 CD GLU A 76 -10.792 8.897 -11.239 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -12.019 9.137 -11.234 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -9.989 9.454 -12.016 1.00 0.00 O ATOM 0 H GLU A 76 -12.219 4.641 -8.930 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.273 6.629 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.074 5.919 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.267 7.160 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.944 8.390 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.365 7.407 -10.672 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.691 6.693 -6.497 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.698 7.312 -5.690 1.00 0.00 C ATOM 1115 C GLY A 77 -14.979 6.518 -5.754 1.00 0.00 C ATOM 1116 O GLY A 77 -16.025 6.950 -5.269 1.00 0.00 O ATOM 0 H GLY A 77 -12.314 5.827 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.355 7.380 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.875 8.331 -6.035 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.880 5.339 -6.365 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.010 4.450 -6.514 1.00 0.00 C ATOM 1122 C ALA A 78 -16.327 3.763 -5.207 1.00 0.00 C ATOM 1123 O ALA A 78 -17.475 3.802 -4.768 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.738 3.425 -7.604 1.00 0.00 C ATOM 0 H ALA A 78 -14.013 4.982 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.877 5.043 -6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.598 2.763 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.563 3.938 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.858 2.839 -7.341 1.00 0.00 H new ATOM 1130 N THR A 79 -15.327 3.113 -4.582 1.00 0.00 N ATOM 1131 CA THR A 79 -15.554 2.415 -3.348 1.00 0.00 C ATOM 1132 C THR A 79 -16.981 2.119 -3.152 1.00 0.00 C ATOM 1133 O THR A 79 -17.467 1.145 -3.708 1.00 0.00 O ATOM 1134 CB THR A 79 -14.999 3.149 -2.154 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.768 4.519 -2.428 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.743 2.525 -1.758 1.00 0.00 C ATOM 0 H THR A 79 -14.368 3.069 -4.926 1.00 0.00 H new ATOM 0 HA THR A 79 -15.012 1.473 -3.428 1.00 0.00 H new ATOM 0 HB THR A 79 -15.736 3.090 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.881 5.041 -1.606 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.333 3.049 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.921 1.481 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.034 2.577 -2.584 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.637 2.947 -2.348 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.035 2.747 -2.063 1.00 0.00 C ATOM 1146 C HIS A 80 -19.407 1.321 -2.446 1.00 0.00 C ATOM 1147 O HIS A 80 -19.448 0.432 -1.598 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.871 3.809 -2.789 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.270 3.398 -3.083 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.751 2.715 -4.124 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.347 3.690 -2.274 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.108 2.596 -3.949 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.444 3.194 -2.821 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.218 3.756 -1.889 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.244 2.869 -1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.892 4.714 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.376 4.065 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.302 4.236 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.788 2.096 -4.623 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.387 3.262 -2.438 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.628 1.090 -3.725 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.912 -0.250 -4.195 1.00 0.00 C ATOM 1164 C LYS A 81 -18.658 -1.111 -4.447 1.00 0.00 C ATOM 1165 O LYS A 81 -18.470 -2.177 -3.864 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.745 -0.181 -5.476 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.201 -1.541 -5.979 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.233 -1.591 -7.498 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.314 -2.534 -8.000 1.00 0.00 C ATOM 1170 NZ LYS A 81 -22.798 -2.153 -9.356 1.00 0.00 N ATOM 0 H LYS A 81 -19.617 1.806 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.464 -0.739 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.620 0.443 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.159 0.307 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.530 -2.313 -5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -22.193 -1.762 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.409 -0.590 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.262 -1.915 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.924 -3.552 -8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.151 -2.531 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.534 -2.821 -9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.193 -1.192 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.005 -2.180 -10.028 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.835 -0.636 -5.392 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.656 -1.377 -5.876 1.00 0.00 C ATOM 1186 C GLN A 82 -15.473 -1.510 -4.966 1.00 0.00 C ATOM 1187 O GLN A 82 -14.978 -2.612 -4.766 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.107 -0.697 -7.136 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.182 -0.261 -8.110 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.618 0.256 -9.419 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.873 1.236 -9.443 1.00 0.00 O ATOM 1192 NE2 GLN A 82 -16.973 -0.401 -10.516 1.00 0.00 N ATOM 0 H GLN A 82 -17.965 0.270 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.063 -2.379 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.521 0.174 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.428 -1.383 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.844 -1.103 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.789 0.518 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.593 -1.208 -10.449 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.626 -0.099 -11.426 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.944 -0.411 -4.499 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.718 -0.525 -3.717 1.00 0.00 C ATOM 1203 C ALA A 83 -13.925 -1.012 -2.331 1.00 0.00 C ATOM 1204 O ALA A 83 -13.283 -1.960 -1.889 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.862 0.736 -3.781 1.00 0.00 C ATOM 0 H ALA A 83 -15.310 0.532 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.145 -1.314 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.962 0.596 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.582 0.933 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.430 1.581 -3.392 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.836 -0.406 -1.663 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.121 -0.794 -0.314 1.00 0.00 C ATOM 1213 C VAL A 84 -15.619 -2.216 -0.285 1.00 0.00 C ATOM 1214 O VAL A 84 -15.181 -3.034 0.528 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.138 0.141 0.363 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.061 0.744 -0.665 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.943 -0.598 1.419 1.00 0.00 C ATOM 0 H VAL A 84 -15.403 0.363 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.192 -0.718 0.251 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.584 0.940 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.775 1.403 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.478 1.316 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.599 -0.051 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.654 0.088 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.484 -1.422 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.270 -0.990 2.181 1.00 0.00 H new ATOM 1327 N GLY A 91 -10.027 -11.730 -1.753 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.720 -13.104 -1.404 1.00 0.00 C ATOM 1329 C GLY A 91 -9.991 -14.088 -2.528 1.00 0.00 C ATOM 1330 O GLY A 91 -9.057 -14.705 -3.041 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.671 -13.172 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.308 -13.389 -0.532 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.268 -14.244 -2.915 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.643 -15.170 -3.997 1.00 0.00 C ATOM 1336 C GLN A 92 -10.536 -15.223 -5.040 1.00 0.00 C ATOM 1337 O GLN A 92 -10.151 -16.289 -5.520 1.00 0.00 O ATOM 1338 CB GLN A 92 -12.956 -14.728 -4.648 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.947 -13.281 -5.112 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.312 -12.810 -5.577 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.278 -12.819 -4.812 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.398 -12.394 -6.834 1.00 0.00 N ATOM 0 H GLN A 92 -12.054 -13.745 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.783 -16.165 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.164 -15.373 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.770 -14.868 -3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.605 -12.644 -4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.231 -13.169 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.572 -12.404 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.290 -12.064 -7.202 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.011 -14.048 -5.337 1.00 0.00 N ATOM 1352 CA VAL A 93 -8.959 -13.845 -6.227 1.00 0.00 C ATOM 1353 C VAL A 93 -8.811 -12.361 -6.364 1.00 0.00 C ATOM 1354 O VAL A 93 -9.710 -11.678 -6.857 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.168 -14.519 -7.554 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.006 -13.682 -8.515 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.794 -14.773 -8.055 1.00 0.00 C ATOM 0 H VAL A 93 -10.351 -13.180 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.046 -14.300 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.743 -15.440 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.124 -14.218 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -10.987 -13.498 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.507 -12.731 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.846 -15.266 -9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.263 -13.827 -8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.263 -15.413 -7.351 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.739 -11.843 -5.822 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.574 -10.442 -5.789 1.00 0.00 C ATOM 1369 C VAL A 94 -6.384 -9.951 -6.558 1.00 0.00 C ATOM 1370 O VAL A 94 -5.273 -10.470 -6.471 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.433 -9.975 -4.369 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.036 -9.456 -4.221 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.480 -8.921 -4.014 1.00 0.00 C ATOM 0 H VAL A 94 -6.980 -12.380 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.466 -10.032 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.607 -10.796 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.885 -9.104 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.326 -10.254 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.878 -8.632 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.345 -8.608 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.366 -8.059 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.477 -9.343 -4.139 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.653 -8.902 -7.248 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.650 -8.186 -8.005 1.00 0.00 C ATOM 1385 C HIS A 95 -5.767 -6.695 -7.760 1.00 0.00 C ATOM 1386 O HIS A 95 -6.789 -6.095 -8.078 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.747 -8.568 -9.457 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.304 -9.972 -9.604 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.042 -11.032 -9.167 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.132 -10.485 -9.996 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.318 -12.121 -9.284 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.173 -11.817 -9.799 1.00 0.00 N ATOM 0 H HIS A 95 -7.587 -8.498 -7.314 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.651 -8.467 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.772 -8.455 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.126 -7.909 -10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.299 -9.929 -10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.630 -13.114 -8.995 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.425 -12.475 -10.019 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.755 -6.103 -7.151 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.791 -4.734 -6.828 1.00 0.00 C ATOM 1403 C LEU A 96 -3.707 -3.903 -7.406 1.00 0.00 C ATOM 1404 O LEU A 96 -2.549 -4.233 -7.311 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.715 -4.574 -5.337 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.841 -3.755 -4.900 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.261 -4.065 -3.471 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.555 -2.278 -5.119 1.00 0.00 C ATOM 0 H LEU A 96 -3.896 -6.580 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.726 -4.379 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.744 -5.549 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.773 -4.104 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.698 -4.014 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.102 -3.430 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.557 -5.111 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.425 -3.876 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.409 -1.689 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.671 -1.990 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.379 -2.095 -6.179 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.110 -2.762 -7.905 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.166 -1.794 -8.394 1.00 0.00 C ATOM 1422 C LEU A 97 -3.168 -0.597 -7.457 1.00 0.00 C ATOM 1423 O LEU A 97 -4.172 0.104 -7.329 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.519 -1.364 -9.808 1.00 0.00 C ATOM 1425 CG LEU A 97 -3.021 -2.323 -10.868 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.523 -1.920 -12.246 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.501 -2.379 -10.831 1.00 0.00 C ATOM 0 H LEU A 97 -5.088 -2.482 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.171 -2.238 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.602 -1.271 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.098 -0.376 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.414 -3.318 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.151 -2.625 -12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.613 -1.927 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.165 -0.919 -12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.144 -3.070 -11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.096 -1.385 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.173 -2.722 -9.850 1.00 0.00 H new ATOM 1439 N LEU A 98 -2.048 -0.392 -6.783 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.915 0.698 -5.816 1.00 0.00 C ATOM 1441 C LEU A 98 -0.907 1.735 -6.244 1.00 0.00 C ATOM 1442 O LEU A 98 0.067 1.432 -6.927 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.505 0.115 -4.469 1.00 0.00 C ATOM 1444 CG LEU A 98 -0.111 0.487 -3.945 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.183 1.771 -3.130 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.403 -0.681 -3.134 1.00 0.00 C ATOM 0 H LEU A 98 -1.211 -0.966 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.880 1.200 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.240 0.426 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.562 -0.971 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 98 0.580 0.680 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.811 2.025 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.556 2.580 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.856 1.628 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.395 -0.447 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.275 -0.873 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.461 -1.566 -3.767 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.130 2.952 -5.784 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.213 4.042 -6.064 1.00 0.00 C ATOM 1460 C GLU A 99 0.347 4.602 -4.771 1.00 0.00 C ATOM 1461 O GLU A 99 -0.373 5.116 -3.917 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.853 5.152 -6.890 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.683 4.973 -8.389 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.854 5.519 -9.182 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -2.900 5.820 -8.568 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.725 5.648 -10.417 1.00 0.00 O ATOM 0 H GLU A 99 -1.937 3.211 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 99 0.599 3.630 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.917 5.199 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.420 6.108 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.231 5.473 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.561 3.913 -8.612 1.00 0.00 H new