USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 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 55 ASN : amide:sc= -0.918 K(o=-19,f=-20!) USER MOD Set 1.2: A 59 HIS : no HE2:sc= -14.6! C(o=-19!,f=-17!) USER MOD Set 1.3: A 61 TYR OH : rot 7:sc= -3.16! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 9 TYR OH : rot 30:sc= -1.28 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 20 SER OG : rot 131:sc= 0.249 USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= 0.0193 (180deg=-0.00669) USER MOD Single : A 24 GLN : amide:sc= -3.97! C(o=-4!,f=-5.2!) USER MOD Single : A 26 THR OG1 : rot -72:sc= -0.117 USER MOD Single : A 28 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.761 K(o=0.76,f=-3.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 37 MET CE :methyl 164:sc= -1.28 (180deg=-1.61) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 178:sc= -0.605 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.366 K(o=-0.37,f=-2.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.0105 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.194 (180deg=-0.923) USER MOD ----------------------------------------------------------------- ATOM 116 N THR A 8 -8.916 4.545 4.545 1.00 0.00 N ATOM 117 CA THR A 8 -7.737 3.894 5.182 1.00 0.00 C ATOM 118 C THR A 8 -6.643 3.668 4.135 1.00 0.00 C ATOM 119 O THR A 8 -6.917 3.338 2.998 1.00 0.00 O ATOM 120 CB THR A 8 -8.158 2.548 5.777 1.00 0.00 C ATOM 121 OG1 THR A 8 -7.001 1.778 6.067 1.00 0.00 O ATOM 122 CG2 THR A 8 -9.035 1.797 4.773 1.00 0.00 C ATOM 0 HA THR A 8 -7.352 4.539 5.972 1.00 0.00 H new ATOM 0 HB THR A 8 -8.722 2.716 6.694 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.269 0.916 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.335 0.839 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.923 2.389 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.473 1.628 3.854 1.00 0.00 H new ATOM 130 N TYR A 9 -5.404 3.841 4.511 1.00 0.00 N ATOM 131 CA TYR A 9 -4.292 3.634 3.539 1.00 0.00 C ATOM 132 C TYR A 9 -4.285 2.176 3.076 1.00 0.00 C ATOM 133 O TYR A 9 -3.620 1.821 2.123 1.00 0.00 O ATOM 134 CB TYR A 9 -2.955 3.959 4.210 1.00 0.00 C ATOM 135 CG TYR A 9 -2.699 5.446 4.137 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.649 6.344 4.635 1.00 0.00 C ATOM 137 CD2 TYR A 9 -1.511 5.925 3.569 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.412 7.723 4.567 1.00 0.00 C ATOM 139 CE2 TYR A 9 -1.275 7.304 3.501 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.225 8.202 4.000 1.00 0.00 C ATOM 141 OH TYR A 9 -1.992 9.561 3.931 1.00 0.00 O ATOM 0 H TYR A 9 -5.114 4.117 5.449 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.436 4.290 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.970 3.633 5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.148 3.416 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.565 5.974 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.778 5.232 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.145 8.417 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.360 7.674 3.063 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.439 10.008 4.680 1.00 0.00 H new ATOM 151 N ALA A 10 -5.018 1.327 3.742 1.00 0.00 N ATOM 152 CA ALA A 10 -5.049 -0.106 3.339 1.00 0.00 C ATOM 153 C ALA A 10 -5.598 -0.224 1.915 1.00 0.00 C ATOM 154 O ALA A 10 -5.010 -0.861 1.065 1.00 0.00 O ATOM 155 CB ALA A 10 -5.949 -0.888 4.298 1.00 0.00 C ATOM 0 H ALA A 10 -5.597 1.564 4.548 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.039 -0.514 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.971 -1.937 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.559 -0.805 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.959 -0.480 4.263 1.00 0.00 H new ATOM 161 N SER A 11 -6.722 0.384 1.651 1.00 0.00 N ATOM 162 CA SER A 11 -7.307 0.304 0.284 1.00 0.00 C ATOM 163 C SER A 11 -6.456 1.127 -0.687 1.00 0.00 C ATOM 164 O SER A 11 -6.463 0.899 -1.880 1.00 0.00 O ATOM 165 CB SER A 11 -8.733 0.858 0.309 1.00 0.00 C ATOM 166 OG SER A 11 -9.231 0.933 -1.021 1.00 0.00 O ATOM 0 H SER A 11 -7.260 0.932 2.323 1.00 0.00 H new ATOM 0 HA SER A 11 -7.325 -0.736 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.374 0.217 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.744 1.846 0.770 1.00 0.00 H new ATOM 0 HG SER A 11 -10.145 1.286 -1.009 1.00 0.00 H new ATOM 172 N LEU A 12 -5.721 2.081 -0.185 1.00 0.00 N ATOM 173 CA LEU A 12 -4.870 2.916 -1.079 1.00 0.00 C ATOM 174 C LEU A 12 -3.650 2.109 -1.526 1.00 0.00 C ATOM 175 O LEU A 12 -3.329 2.046 -2.696 1.00 0.00 O ATOM 176 CB LEU A 12 -4.406 4.162 -0.322 1.00 0.00 C ATOM 177 CG LEU A 12 -5.550 5.175 -0.254 1.00 0.00 C ATOM 178 CD1 LEU A 12 -5.486 5.931 1.074 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.420 6.168 -1.412 1.00 0.00 C ATOM 0 H LEU A 12 -5.673 2.318 0.806 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.448 3.214 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.086 3.891 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.544 4.604 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.503 4.651 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.302 6.653 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.578 5.225 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.533 6.455 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.235 6.891 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.466 6.691 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.466 5.630 -2.359 1.00 0.00 H new ATOM 191 N ILE A 13 -2.965 1.493 -0.602 1.00 0.00 N ATOM 192 CA ILE A 13 -1.764 0.693 -0.972 1.00 0.00 C ATOM 193 C ILE A 13 -2.170 -0.437 -1.922 1.00 0.00 C ATOM 194 O ILE A 13 -1.548 -0.657 -2.942 1.00 0.00 O ATOM 195 CB ILE A 13 -1.143 0.097 0.291 1.00 0.00 C ATOM 196 CG1 ILE A 13 -0.830 1.220 1.280 1.00 0.00 C ATOM 197 CG2 ILE A 13 0.150 -0.636 -0.072 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.857 0.667 2.705 1.00 0.00 C ATOM 0 H ILE A 13 -3.185 1.509 0.394 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.038 1.338 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.843 -0.605 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.149 1.648 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.559 2.024 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.593 -1.061 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.071 -1.435 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.851 0.065 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.634 1.468 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.845 0.260 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.111 -0.122 2.803 1.00 0.00 H new ATOM 210 N ARG A 14 -3.207 -1.157 -1.593 1.00 0.00 N ATOM 211 CA ARG A 14 -3.649 -2.273 -2.475 1.00 0.00 C ATOM 212 C ARG A 14 -3.841 -1.754 -3.901 1.00 0.00 C ATOM 213 O ARG A 14 -3.526 -2.426 -4.863 1.00 0.00 O ATOM 214 CB ARG A 14 -4.974 -2.836 -1.954 1.00 0.00 C ATOM 215 CG ARG A 14 -5.217 -4.219 -2.561 1.00 0.00 C ATOM 216 CD ARG A 14 -5.521 -4.077 -4.053 1.00 0.00 C ATOM 217 NE ARG A 14 -6.551 -5.079 -4.446 1.00 0.00 N ATOM 218 CZ ARG A 14 -6.213 -6.326 -4.624 1.00 0.00 C ATOM 219 NH1 ARG A 14 -5.788 -6.728 -5.790 1.00 0.00 N ATOM 220 NH2 ARG A 14 -6.298 -7.171 -3.633 1.00 0.00 N ATOM 0 H ARG A 14 -3.767 -1.021 -0.752 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.893 -3.058 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.949 -2.904 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.793 -2.165 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.340 -4.850 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.049 -4.709 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.877 -3.070 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.612 -4.225 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.520 -4.790 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.720 -6.067 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.524 -7.704 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.628 -6.856 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.034 -8.147 -3.771 1.00 0.00 H new ATOM 234 N GLN A 15 -4.359 -0.566 -4.044 1.00 0.00 N ATOM 235 CA GLN A 15 -4.577 -0.007 -5.407 1.00 0.00 C ATOM 236 C GLN A 15 -3.249 0.035 -6.168 1.00 0.00 C ATOM 237 O GLN A 15 -3.112 -0.543 -7.228 1.00 0.00 O ATOM 238 CB GLN A 15 -5.145 1.408 -5.290 1.00 0.00 C ATOM 239 CG GLN A 15 -6.131 1.659 -6.432 1.00 0.00 C ATOM 240 CD GLN A 15 -6.440 3.154 -6.521 1.00 0.00 C ATOM 241 OE1 GLN A 15 -6.549 3.824 -5.512 1.00 0.00 O ATOM 242 NE2 GLN A 15 -6.583 3.710 -7.692 1.00 0.00 N ATOM 0 H GLN A 15 -4.641 0.042 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.280 -0.639 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.645 1.532 -4.330 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.338 2.139 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.710 1.307 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.049 1.097 -6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.491 3.148 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.786 4.707 -7.762 1.00 0.00 H new ATOM 251 N ALA A 16 -2.272 0.720 -5.640 1.00 0.00 N ATOM 252 CA ALA A 16 -0.955 0.805 -6.337 1.00 0.00 C ATOM 253 C ALA A 16 -0.317 -0.583 -6.410 1.00 0.00 C ATOM 254 O ALA A 16 0.377 -0.909 -7.353 1.00 0.00 O ATOM 255 CB ALA A 16 -0.032 1.747 -5.562 1.00 0.00 C ATOM 0 H ALA A 16 -2.328 1.225 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.106 1.185 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.931 1.811 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.483 2.738 -5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.114 1.364 -4.552 1.00 0.00 H new ATOM 261 N ILE A 17 -0.538 -1.400 -5.419 1.00 0.00 N ATOM 262 CA ILE A 17 0.061 -2.765 -5.424 1.00 0.00 C ATOM 263 C ILE A 17 -0.499 -3.580 -6.596 1.00 0.00 C ATOM 264 O ILE A 17 0.239 -4.122 -7.394 1.00 0.00 O ATOM 265 CB ILE A 17 -0.278 -3.463 -4.107 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.528 -2.826 -2.970 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.063 -4.951 -4.208 1.00 0.00 C ATOM 268 CD1 ILE A 17 2.017 -3.121 -3.162 1.00 0.00 C ATOM 0 H ILE A 17 -1.109 -1.181 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 17 1.143 -2.686 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.343 -3.353 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.361 -1.749 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.191 -3.217 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.180 -5.445 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.514 -5.403 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.127 -5.067 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.586 -2.666 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.178 -4.199 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.350 -2.708 -4.114 1.00 0.00 H new ATOM 280 N LEU A 18 -1.798 -3.679 -6.701 1.00 0.00 N ATOM 281 CA LEU A 18 -2.399 -4.469 -7.816 1.00 0.00 C ATOM 282 C LEU A 18 -2.003 -3.852 -9.161 1.00 0.00 C ATOM 283 O LEU A 18 -2.094 -4.483 -10.195 1.00 0.00 O ATOM 284 CB LEU A 18 -3.924 -4.467 -7.681 1.00 0.00 C ATOM 285 CG LEU A 18 -4.479 -3.105 -8.107 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.038 -3.204 -9.526 1.00 0.00 C ATOM 287 CD2 LEU A 18 -5.592 -2.685 -7.147 1.00 0.00 C ATOM 0 H LEU A 18 -2.468 -3.248 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.031 -5.494 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.354 -5.255 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.208 -4.680 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.681 -2.363 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.433 -2.235 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.244 -3.502 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.836 -3.946 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.987 -1.715 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.391 -3.426 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.192 -2.614 -6.135 1.00 0.00 H new ATOM 299 N GLU A 19 -1.569 -2.622 -9.155 1.00 0.00 N ATOM 300 CA GLU A 19 -1.173 -1.968 -10.434 1.00 0.00 C ATOM 301 C GLU A 19 -0.105 -2.816 -11.129 1.00 0.00 C ATOM 302 O GLU A 19 0.135 -2.681 -12.312 1.00 0.00 O ATOM 303 CB GLU A 19 -0.611 -0.576 -10.137 1.00 0.00 C ATOM 304 CG GLU A 19 -0.458 0.203 -11.444 1.00 0.00 C ATOM 305 CD GLU A 19 -0.202 1.679 -11.130 1.00 0.00 C ATOM 306 OE1 GLU A 19 0.741 1.955 -10.408 1.00 0.00 O ATOM 307 OE2 GLU A 19 -0.954 2.507 -11.617 1.00 0.00 O ATOM 0 H GLU A 19 -1.471 -2.042 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.043 -1.877 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.276 -0.041 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.354 -0.661 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.367 -0.204 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.359 0.100 -12.049 1.00 0.00 H new ATOM 314 N SER A 20 0.536 -3.689 -10.402 1.00 0.00 N ATOM 315 CA SER A 20 1.588 -4.546 -11.020 1.00 0.00 C ATOM 316 C SER A 20 0.933 -5.775 -11.660 1.00 0.00 C ATOM 317 O SER A 20 -0.260 -5.972 -11.542 1.00 0.00 O ATOM 318 CB SER A 20 2.579 -4.993 -9.941 1.00 0.00 C ATOM 319 OG SER A 20 2.319 -6.346 -9.587 1.00 0.00 O ATOM 0 H SER A 20 0.377 -3.846 -9.407 1.00 0.00 H new ATOM 0 HA SER A 20 2.118 -3.980 -11.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.601 -4.892 -10.307 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.490 -4.353 -9.063 1.00 0.00 H new ATOM 0 HG SER A 20 3.156 -6.855 -9.602 1.00 0.00 H new ATOM 325 N PRO A 21 1.741 -6.570 -12.316 1.00 0.00 N ATOM 326 CA PRO A 21 1.275 -7.795 -12.986 1.00 0.00 C ATOM 327 C PRO A 21 1.047 -8.895 -11.947 1.00 0.00 C ATOM 328 O PRO A 21 -0.005 -9.499 -11.888 1.00 0.00 O ATOM 329 CB PRO A 21 2.426 -8.149 -13.932 1.00 0.00 C ATOM 330 CG PRO A 21 3.687 -7.460 -13.359 1.00 0.00 C ATOM 331 CD PRO A 21 3.192 -6.321 -12.448 1.00 0.00 C ATOM 0 HA PRO A 21 0.331 -7.674 -13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.565 -9.229 -13.989 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.219 -7.801 -14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.294 -8.169 -12.797 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.313 -7.070 -14.161 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.690 -6.341 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.390 -5.344 -12.888 1.00 0.00 H new ATOM 339 N GLU A 22 2.022 -9.150 -11.119 1.00 0.00 N ATOM 340 CA GLU A 22 1.861 -10.194 -10.078 1.00 0.00 C ATOM 341 C GLU A 22 1.383 -9.534 -8.783 1.00 0.00 C ATOM 342 O GLU A 22 1.749 -9.933 -7.695 1.00 0.00 O ATOM 343 CB GLU A 22 3.200 -10.897 -9.841 1.00 0.00 C ATOM 344 CG GLU A 22 3.380 -12.011 -10.876 1.00 0.00 C ATOM 345 CD GLU A 22 4.763 -11.892 -11.519 1.00 0.00 C ATOM 346 OE1 GLU A 22 5.346 -10.824 -11.431 1.00 0.00 O ATOM 347 OE2 GLU A 22 5.215 -12.871 -12.090 1.00 0.00 O ATOM 0 H GLU A 22 2.925 -8.676 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 22 1.129 -10.932 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.018 -10.180 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.232 -11.313 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.271 -12.985 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.605 -11.941 -11.639 1.00 0.00 H new ATOM 354 N LYS A 23 0.561 -8.524 -8.900 1.00 0.00 N ATOM 355 CA LYS A 23 0.040 -7.822 -7.703 1.00 0.00 C ATOM 356 C LYS A 23 1.139 -7.672 -6.651 1.00 0.00 C ATOM 357 O LYS A 23 0.895 -7.778 -5.468 1.00 0.00 O ATOM 358 CB LYS A 23 -1.128 -8.611 -7.125 1.00 0.00 C ATOM 359 CG LYS A 23 -1.887 -9.329 -8.245 1.00 0.00 C ATOM 360 CD LYS A 23 -1.632 -10.834 -8.149 1.00 0.00 C ATOM 361 CE LYS A 23 -2.626 -11.578 -9.044 1.00 0.00 C ATOM 362 NZ LYS A 23 -2.264 -11.364 -10.473 1.00 0.00 N ATOM 0 H LYS A 23 0.227 -8.155 -9.790 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.298 -6.827 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.762 -9.338 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.801 -7.940 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.955 -9.124 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.563 -8.955 -9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.611 -11.061 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.737 -11.166 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.616 -12.643 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.639 -11.221 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.084 -10.981 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.473 -10.692 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.982 -12.270 -10.899 1.00 0.00 H new ATOM 376 N GLN A 24 2.343 -7.408 -7.074 1.00 0.00 N ATOM 377 CA GLN A 24 3.459 -7.230 -6.100 1.00 0.00 C ATOM 378 C GLN A 24 4.098 -5.868 -6.332 1.00 0.00 C ATOM 379 O GLN A 24 3.986 -5.299 -7.399 1.00 0.00 O ATOM 380 CB GLN A 24 4.514 -8.321 -6.306 1.00 0.00 C ATOM 381 CG GLN A 24 4.541 -8.748 -7.776 1.00 0.00 C ATOM 382 CD GLN A 24 5.343 -10.044 -7.916 1.00 0.00 C ATOM 383 OE1 GLN A 24 4.939 -11.078 -7.424 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.471 -10.031 -8.574 1.00 0.00 N ATOM 0 H GLN A 24 2.605 -7.307 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 24 3.069 -7.298 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.495 -7.952 -6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.290 -9.180 -5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.525 -8.895 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.989 -7.963 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.810 -9.162 -8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.013 -10.889 -8.675 1.00 0.00 H new ATOM 393 N LEU A 25 4.770 -5.327 -5.352 1.00 0.00 N ATOM 394 CA LEU A 25 5.396 -4.001 -5.568 1.00 0.00 C ATOM 395 C LEU A 25 6.528 -3.750 -4.575 1.00 0.00 C ATOM 396 O LEU A 25 6.336 -3.782 -3.378 1.00 0.00 O ATOM 397 CB LEU A 25 4.334 -2.907 -5.431 1.00 0.00 C ATOM 398 CG LEU A 25 4.050 -2.279 -6.798 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.211 -1.013 -6.611 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.370 -1.914 -7.484 1.00 0.00 C ATOM 0 H LEU A 25 4.909 -5.740 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 25 5.821 -3.983 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.418 -3.328 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.676 -2.142 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 25 3.506 -2.993 -7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.008 -0.564 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.269 -1.269 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.758 -0.303 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.163 -1.467 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.916 -1.201 -6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.971 -2.813 -7.618 1.00 0.00 H new ATOM 412 N THR A 26 7.712 -3.495 -5.063 1.00 0.00 N ATOM 413 CA THR A 26 8.861 -3.239 -4.147 1.00 0.00 C ATOM 414 C THR A 26 8.573 -2.005 -3.289 1.00 0.00 C ATOM 415 O THR A 26 7.691 -1.222 -3.582 1.00 0.00 O ATOM 416 CB THR A 26 10.129 -2.999 -4.970 1.00 0.00 C ATOM 417 OG1 THR A 26 9.887 -1.968 -5.917 1.00 0.00 O ATOM 418 CG2 THR A 26 10.520 -4.287 -5.699 1.00 0.00 C ATOM 0 H THR A 26 7.934 -3.453 -6.058 1.00 0.00 H new ATOM 0 HA THR A 26 9.003 -4.105 -3.500 1.00 0.00 H new ATOM 0 HB THR A 26 10.942 -2.701 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.300 -2.306 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.423 -4.114 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.706 -5.076 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.710 -4.590 -6.363 1.00 0.00 H new ATOM 426 N LEU A 27 9.316 -1.825 -2.232 1.00 0.00 N ATOM 427 CA LEU A 27 9.094 -0.643 -1.352 1.00 0.00 C ATOM 428 C LEU A 27 9.488 0.635 -2.098 1.00 0.00 C ATOM 429 O LEU A 27 8.894 1.679 -1.917 1.00 0.00 O ATOM 430 CB LEU A 27 9.953 -0.777 -0.092 1.00 0.00 C ATOM 431 CG LEU A 27 11.337 -1.308 -0.471 1.00 0.00 C ATOM 432 CD1 LEU A 27 12.415 -0.440 0.181 1.00 0.00 C ATOM 433 CD2 LEU A 27 11.480 -2.749 0.019 1.00 0.00 C ATOM 0 H LEU A 27 10.069 -2.447 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 27 8.041 -0.593 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.046 0.190 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.474 -1.453 0.617 1.00 0.00 H new ATOM 0 HG LEU A 27 11.453 -1.277 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.400 -0.819 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.314 0.588 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.300 -0.470 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.466 -3.129 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.363 -2.778 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.713 -3.369 -0.445 1.00 0.00 H new ATOM 445 N ASN A 28 10.486 0.563 -2.934 1.00 0.00 N ATOM 446 CA ASN A 28 10.912 1.778 -3.686 1.00 0.00 C ATOM 447 C ASN A 28 9.781 2.227 -4.612 1.00 0.00 C ATOM 448 O ASN A 28 9.499 3.401 -4.743 1.00 0.00 O ATOM 449 CB ASN A 28 12.153 1.454 -4.520 1.00 0.00 C ATOM 450 CG ASN A 28 13.299 2.382 -4.113 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.347 2.851 -2.993 1.00 0.00 O ATOM 452 ND2 ASN A 28 14.231 2.669 -4.981 1.00 0.00 N ATOM 0 H ASN A 28 11.024 -0.281 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 28 11.145 2.577 -2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.443 0.414 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.933 1.574 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.999 3.287 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.191 2.275 -5.921 1.00 0.00 H new ATOM 459 N GLU A 29 9.131 1.297 -5.257 1.00 0.00 N ATOM 460 CA GLU A 29 8.020 1.662 -6.179 1.00 0.00 C ATOM 461 C GLU A 29 6.815 2.150 -5.370 1.00 0.00 C ATOM 462 O GLU A 29 6.299 3.226 -5.598 1.00 0.00 O ATOM 463 CB GLU A 29 7.622 0.432 -6.997 1.00 0.00 C ATOM 464 CG GLU A 29 8.789 0.019 -7.896 1.00 0.00 C ATOM 465 CD GLU A 29 8.409 -1.236 -8.684 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.079 -2.228 -8.056 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.455 -1.185 -9.902 1.00 0.00 O ATOM 0 H GLU A 29 9.323 0.298 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 29 8.348 2.458 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.353 -0.389 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.743 0.653 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.038 0.829 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.676 -0.173 -7.293 1.00 0.00 H new ATOM 474 N ILE A 30 6.361 1.371 -4.425 1.00 0.00 N ATOM 475 CA ILE A 30 5.191 1.799 -3.609 1.00 0.00 C ATOM 476 C ILE A 30 5.432 3.219 -3.088 1.00 0.00 C ATOM 477 O ILE A 30 4.531 4.031 -3.020 1.00 0.00 O ATOM 478 CB ILE A 30 5.000 0.821 -2.436 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.525 0.796 -2.032 1.00 0.00 C ATOM 480 CG2 ILE A 30 5.848 1.247 -1.233 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.312 -0.258 -0.945 1.00 0.00 C ATOM 0 H ILE A 30 6.749 0.459 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 30 4.288 1.794 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 30 5.318 -0.172 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.220 1.777 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.903 0.571 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.699 0.543 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.901 1.257 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.549 2.245 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.261 -0.276 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.601 -1.237 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.922 -0.013 -0.076 1.00 0.00 H new ATOM 493 N TYR A 31 6.648 3.518 -2.724 1.00 0.00 N ATOM 494 CA TYR A 31 6.962 4.881 -2.207 1.00 0.00 C ATOM 495 C TYR A 31 6.807 5.903 -3.336 1.00 0.00 C ATOM 496 O TYR A 31 6.354 7.011 -3.124 1.00 0.00 O ATOM 497 CB TYR A 31 8.401 4.909 -1.688 1.00 0.00 C ATOM 498 CG TYR A 31 8.543 6.005 -0.659 1.00 0.00 C ATOM 499 CD1 TYR A 31 8.156 5.775 0.666 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.063 7.251 -1.030 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.286 6.792 1.621 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.194 8.268 -0.076 1.00 0.00 C ATOM 503 CZ TYR A 31 8.806 8.038 1.250 1.00 0.00 C ATOM 504 OH TYR A 31 8.934 9.038 2.191 1.00 0.00 O ATOM 0 H TYR A 31 7.440 2.876 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 31 6.278 5.129 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.659 3.946 -1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.093 5.078 -2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.757 4.813 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.363 7.428 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.985 6.615 2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.594 9.229 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 31 9.312 9.838 1.769 1.00 0.00 H new ATOM 514 N ASN A 32 7.183 5.542 -4.532 1.00 0.00 N ATOM 515 CA ASN A 32 7.059 6.493 -5.671 1.00 0.00 C ATOM 516 C ASN A 32 5.580 6.774 -5.943 1.00 0.00 C ATOM 517 O ASN A 32 5.149 7.910 -5.979 1.00 0.00 O ATOM 518 CB ASN A 32 7.700 5.878 -6.918 1.00 0.00 C ATOM 519 CG ASN A 32 9.115 6.433 -7.092 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.291 7.609 -7.339 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.137 5.630 -6.969 1.00 0.00 N ATOM 0 H ASN A 32 7.571 4.629 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 32 7.565 7.426 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.733 4.792 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.098 6.105 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.085 5.990 -7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.988 4.643 -6.762 1.00 0.00 H new ATOM 528 N TRP A 33 4.799 5.748 -6.135 1.00 0.00 N ATOM 529 CA TRP A 33 3.349 5.950 -6.406 1.00 0.00 C ATOM 530 C TRP A 33 2.736 6.819 -5.303 1.00 0.00 C ATOM 531 O TRP A 33 2.031 7.771 -5.569 1.00 0.00 O ATOM 532 CB TRP A 33 2.650 4.588 -6.433 1.00 0.00 C ATOM 533 CG TRP A 33 1.169 4.782 -6.425 1.00 0.00 C ATOM 534 CD1 TRP A 33 0.388 4.846 -7.527 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.277 4.935 -5.282 1.00 0.00 C ATOM 536 NE1 TRP A 33 -0.925 5.030 -7.135 1.00 0.00 N ATOM 537 CE2 TRP A 33 -1.045 5.091 -5.761 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.485 4.953 -3.891 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -2.123 5.260 -4.892 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.599 5.123 -3.012 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.900 5.277 -3.513 1.00 0.00 C ATOM 0 H TRP A 33 5.104 4.775 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 33 3.222 6.448 -7.367 1.00 0.00 H new ATOM 0 HB2 TRP A 33 2.949 4.033 -7.322 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.954 3.995 -5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.734 4.766 -8.547 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -1.709 5.111 -7.782 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.483 4.836 -3.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.123 5.377 -5.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.429 5.135 -1.946 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.729 5.409 -2.833 1.00 0.00 H new ATOM 552 N PHE A 34 2.997 6.492 -4.067 1.00 0.00 N ATOM 553 CA PHE A 34 2.429 7.291 -2.941 1.00 0.00 C ATOM 554 C PHE A 34 2.710 8.786 -3.144 1.00 0.00 C ATOM 555 O PHE A 34 1.803 9.594 -3.199 1.00 0.00 O ATOM 556 CB PHE A 34 3.075 6.828 -1.636 1.00 0.00 C ATOM 557 CG PHE A 34 2.102 5.973 -0.861 1.00 0.00 C ATOM 558 CD1 PHE A 34 2.068 4.590 -1.071 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.237 6.561 0.069 1.00 0.00 C ATOM 560 CE1 PHE A 34 1.169 3.795 -0.353 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.337 5.766 0.788 1.00 0.00 C ATOM 562 CZ PHE A 34 0.303 4.383 0.578 1.00 0.00 C ATOM 0 H PHE A 34 3.581 5.704 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 34 1.350 7.142 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.982 6.262 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.371 7.691 -1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.736 4.136 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.264 7.628 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.142 2.728 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.331 6.220 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.391 3.769 1.133 1.00 0.00 H new ATOM 572 N THR A 35 3.956 9.163 -3.235 1.00 0.00 N ATOM 573 CA THR A 35 4.293 10.610 -3.407 1.00 0.00 C ATOM 574 C THR A 35 3.825 11.120 -4.777 1.00 0.00 C ATOM 575 O THR A 35 3.335 12.225 -4.899 1.00 0.00 O ATOM 576 CB THR A 35 5.809 10.790 -3.297 1.00 0.00 C ATOM 577 OG1 THR A 35 6.461 9.657 -3.854 1.00 0.00 O ATOM 578 CG2 THR A 35 6.204 10.936 -1.828 1.00 0.00 C ATOM 0 H THR A 35 4.758 8.533 -3.198 1.00 0.00 H new ATOM 0 HA THR A 35 3.786 11.181 -2.629 1.00 0.00 H new ATOM 0 HB THR A 35 6.108 11.686 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.432 9.772 -3.786 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.284 11.064 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.705 11.806 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.905 10.042 -1.280 1.00 0.00 H new ATOM 586 N ARG A 36 3.991 10.339 -5.810 1.00 0.00 N ATOM 587 CA ARG A 36 3.575 10.801 -7.169 1.00 0.00 C ATOM 588 C ARG A 36 2.054 10.958 -7.243 1.00 0.00 C ATOM 589 O ARG A 36 1.541 11.748 -8.010 1.00 0.00 O ATOM 590 CB ARG A 36 4.032 9.780 -8.213 1.00 0.00 C ATOM 591 CG ARG A 36 5.319 10.270 -8.879 1.00 0.00 C ATOM 592 CD ARG A 36 6.394 10.489 -7.814 1.00 0.00 C ATOM 593 NE ARG A 36 7.540 11.234 -8.407 1.00 0.00 N ATOM 594 CZ ARG A 36 8.199 10.725 -9.411 1.00 0.00 C ATOM 595 NH1 ARG A 36 8.773 9.560 -9.290 1.00 0.00 N ATOM 596 NH2 ARG A 36 8.285 11.383 -10.536 1.00 0.00 N ATOM 0 H ARG A 36 4.395 9.403 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 36 4.036 11.769 -7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.200 8.812 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.254 9.638 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.662 9.540 -9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.131 11.199 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.980 11.047 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.734 9.530 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 36 7.809 12.142 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.706 9.048 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.288 9.161 -10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.837 12.295 -10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.800 10.985 -11.321 1.00 0.00 H new ATOM 610 N MET A 37 1.327 10.208 -6.466 1.00 0.00 N ATOM 611 CA MET A 37 -0.157 10.312 -6.506 1.00 0.00 C ATOM 612 C MET A 37 -0.634 11.410 -5.550 1.00 0.00 C ATOM 613 O MET A 37 -1.396 12.278 -5.923 1.00 0.00 O ATOM 614 CB MET A 37 -0.767 8.972 -6.091 1.00 0.00 C ATOM 615 CG MET A 37 -0.746 8.009 -7.279 1.00 0.00 C ATOM 616 SD MET A 37 -2.444 7.566 -7.725 1.00 0.00 S ATOM 617 CE MET A 37 -3.043 9.245 -8.034 1.00 0.00 C ATOM 0 H MET A 37 1.697 9.526 -5.804 1.00 0.00 H new ATOM 0 HA MET A 37 -0.472 10.564 -7.519 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.207 8.549 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.791 9.118 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.245 8.473 -8.128 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.180 7.113 -7.025 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.979 9.201 -8.592 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.211 9.752 -7.084 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.301 9.795 -8.613 1.00 0.00 H new ATOM 627 N PHE A 38 -0.195 11.383 -4.318 1.00 0.00 N ATOM 628 CA PHE A 38 -0.638 12.434 -3.352 1.00 0.00 C ATOM 629 C PHE A 38 0.566 12.965 -2.568 1.00 0.00 C ATOM 630 O PHE A 38 0.973 12.370 -1.588 1.00 0.00 O ATOM 631 CB PHE A 38 -1.652 11.857 -2.355 1.00 0.00 C ATOM 632 CG PHE A 38 -2.255 10.579 -2.888 1.00 0.00 C ATOM 633 CD1 PHE A 38 -3.107 10.620 -3.990 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.969 9.357 -2.267 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.678 9.439 -4.482 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.536 8.174 -2.758 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.392 8.216 -3.865 1.00 0.00 C ATOM 0 H PHE A 38 0.446 10.685 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.102 13.241 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.162 11.664 -1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.440 12.586 -2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.328 11.564 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.312 9.327 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.338 9.472 -5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.313 7.230 -2.283 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.832 7.305 -4.243 1.00 0.00 H new ATOM 647 N PRO A 39 1.091 14.076 -3.011 1.00 0.00 N ATOM 648 CA PRO A 39 2.240 14.721 -2.359 1.00 0.00 C ATOM 649 C PRO A 39 1.772 15.510 -1.130 1.00 0.00 C ATOM 650 O PRO A 39 2.539 16.216 -0.506 1.00 0.00 O ATOM 651 CB PRO A 39 2.781 15.665 -3.437 1.00 0.00 C ATOM 652 CG PRO A 39 1.607 15.932 -4.411 1.00 0.00 C ATOM 653 CD PRO A 39 0.595 14.789 -4.206 1.00 0.00 C ATOM 0 HA PRO A 39 2.990 14.013 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.139 16.595 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.625 15.215 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.146 16.898 -4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.958 15.958 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.413 15.173 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.556 14.131 -5.074 1.00 0.00 H new ATOM 661 N TYR A 40 0.516 15.398 -0.782 1.00 0.00 N ATOM 662 CA TYR A 40 0.004 16.146 0.402 1.00 0.00 C ATOM 663 C TYR A 40 0.218 15.315 1.672 1.00 0.00 C ATOM 664 O TYR A 40 0.657 15.819 2.687 1.00 0.00 O ATOM 665 CB TYR A 40 -1.492 16.454 0.213 1.00 0.00 C ATOM 666 CG TYR A 40 -2.335 15.264 0.624 1.00 0.00 C ATOM 667 CD1 TYR A 40 -2.549 14.994 1.982 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.901 14.436 -0.351 1.00 0.00 C ATOM 669 CE1 TYR A 40 -3.327 13.895 2.363 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.681 13.338 0.030 1.00 0.00 C ATOM 671 CZ TYR A 40 -3.893 13.066 1.387 1.00 0.00 C ATOM 672 OH TYR A 40 -4.662 11.984 1.761 1.00 0.00 O ATOM 0 H TYR A 40 -0.174 14.823 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 40 0.548 17.085 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.768 17.325 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.689 16.704 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.113 15.634 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.736 14.644 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.491 13.686 3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.120 12.700 -0.723 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.979 11.516 0.961 1.00 0.00 H new ATOM 682 N PHE A 41 -0.094 14.047 1.628 1.00 0.00 N ATOM 683 CA PHE A 41 0.089 13.197 2.838 1.00 0.00 C ATOM 684 C PHE A 41 1.572 13.178 3.223 1.00 0.00 C ATOM 685 O PHE A 41 1.938 12.758 4.303 1.00 0.00 O ATOM 686 CB PHE A 41 -0.412 11.769 2.547 1.00 0.00 C ATOM 687 CG PHE A 41 0.686 10.940 1.918 1.00 0.00 C ATOM 688 CD1 PHE A 41 1.713 10.426 2.717 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.678 10.690 0.541 1.00 0.00 C ATOM 690 CE1 PHE A 41 2.735 9.667 2.139 1.00 0.00 C ATOM 691 CE2 PHE A 41 1.697 9.930 -0.039 1.00 0.00 C ATOM 692 CZ PHE A 41 2.728 9.419 0.762 1.00 0.00 C ATOM 0 H PHE A 41 -0.466 13.566 0.809 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.487 13.605 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.746 11.299 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.273 11.808 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.716 10.616 3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.117 11.085 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.529 9.272 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.690 9.737 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.518 8.833 0.316 1.00 0.00 H new ATOM 702 N ARG A 42 2.428 13.629 2.347 1.00 0.00 N ATOM 703 CA ARG A 42 3.883 13.637 2.662 1.00 0.00 C ATOM 704 C ARG A 42 4.207 14.842 3.549 1.00 0.00 C ATOM 705 O ARG A 42 5.110 15.605 3.271 1.00 0.00 O ATOM 706 CB ARG A 42 4.685 13.726 1.362 1.00 0.00 C ATOM 707 CG ARG A 42 6.059 13.083 1.563 1.00 0.00 C ATOM 708 CD ARG A 42 7.137 13.978 0.950 1.00 0.00 C ATOM 709 NE ARG A 42 6.597 14.645 -0.267 1.00 0.00 N ATOM 710 CZ ARG A 42 7.010 15.839 -0.593 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.207 16.231 -0.251 1.00 0.00 N ATOM 712 NH2 ARG A 42 6.228 16.642 -1.263 1.00 0.00 N ATOM 0 H ARG A 42 2.181 13.992 1.426 1.00 0.00 H new ATOM 0 HA ARG A 42 4.147 12.720 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.150 13.221 0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.800 14.768 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.253 12.939 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.082 12.097 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.459 14.726 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.014 13.385 0.693 1.00 0.00 H new ATOM 0 HE ARG A 42 5.905 14.169 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.819 15.604 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.530 17.164 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.293 16.336 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.552 17.575 -1.517 1.00 0.00 H new ATOM 726 N ARG A 43 3.477 15.015 4.618 1.00 0.00 N ATOM 727 CA ARG A 43 3.741 16.166 5.526 1.00 0.00 C ATOM 728 C ARG A 43 3.969 15.639 6.942 1.00 0.00 C ATOM 729 O ARG A 43 4.963 15.936 7.575 1.00 0.00 O ATOM 730 CB ARG A 43 2.535 17.108 5.521 1.00 0.00 C ATOM 731 CG ARG A 43 2.901 18.403 4.793 1.00 0.00 C ATOM 732 CD ARG A 43 3.532 19.385 5.781 1.00 0.00 C ATOM 733 NE ARG A 43 3.451 20.764 5.227 1.00 0.00 N ATOM 734 CZ ARG A 43 4.277 21.685 5.645 1.00 0.00 C ATOM 735 NH1 ARG A 43 3.996 22.378 6.715 1.00 0.00 N ATOM 736 NH2 ARG A 43 5.384 21.913 4.991 1.00 0.00 N ATOM 0 H ARG A 43 2.708 14.407 4.901 1.00 0.00 H new ATOM 0 HA ARG A 43 4.623 16.709 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.688 16.629 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.228 17.328 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.596 18.192 3.981 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.011 18.844 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.016 19.335 6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.572 19.115 5.965 1.00 0.00 H new ATOM 0 HE ARG A 43 2.750 20.990 4.521 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.131 22.200 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.642 23.097 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.603 21.372 4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.030 22.632 5.317 1.00 0.00 H new ATOM 750 N ASN A 44 3.057 14.852 7.442 1.00 0.00 N ATOM 751 CA ASN A 44 3.218 14.295 8.814 1.00 0.00 C ATOM 752 C ASN A 44 3.638 12.828 8.709 1.00 0.00 C ATOM 753 O ASN A 44 2.955 11.941 9.182 1.00 0.00 O ATOM 754 CB ASN A 44 1.889 14.394 9.563 1.00 0.00 C ATOM 755 CG ASN A 44 1.434 15.853 9.600 1.00 0.00 C ATOM 756 OD1 ASN A 44 0.477 16.220 8.948 1.00 0.00 O ATOM 757 ND2 ASN A 44 2.083 16.707 10.342 1.00 0.00 N ATOM 0 H ASN A 44 2.205 14.570 6.958 1.00 0.00 H new ATOM 0 HA ASN A 44 3.979 14.858 9.355 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.135 13.779 9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.001 14.011 10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.787 17.683 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.887 16.399 10.890 1.00 0.00 H new ATOM 764 N ALA A 45 4.754 12.568 8.085 1.00 0.00 N ATOM 765 CA ALA A 45 5.220 11.161 7.937 1.00 0.00 C ATOM 766 C ALA A 45 5.011 10.405 9.249 1.00 0.00 C ATOM 767 O ALA A 45 4.585 9.267 9.258 1.00 0.00 O ATOM 768 CB ALA A 45 6.706 11.155 7.574 1.00 0.00 C ATOM 0 H ALA A 45 5.365 13.272 7.670 1.00 0.00 H new ATOM 0 HA ALA A 45 4.648 10.672 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.050 10.126 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.853 11.688 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.275 11.646 8.363 1.00 0.00 H new ATOM 774 N ALA A 46 5.303 11.025 10.355 1.00 0.00 N ATOM 775 CA ALA A 46 5.116 10.334 11.659 1.00 0.00 C ATOM 776 C ALA A 46 3.700 9.759 11.729 1.00 0.00 C ATOM 777 O ALA A 46 3.483 8.677 12.239 1.00 0.00 O ATOM 778 CB ALA A 46 5.320 11.334 12.800 1.00 0.00 C ATOM 0 H ALA A 46 5.662 11.978 10.413 1.00 0.00 H new ATOM 0 HA ALA A 46 5.842 9.526 11.752 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.183 10.828 13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.328 11.745 12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.594 12.142 12.710 1.00 0.00 H new ATOM 784 N THR A 47 2.733 10.481 11.236 1.00 0.00 N ATOM 785 CA THR A 47 1.328 9.988 11.292 1.00 0.00 C ATOM 786 C THR A 47 1.069 8.887 10.247 1.00 0.00 C ATOM 787 O THR A 47 0.595 7.818 10.579 1.00 0.00 O ATOM 788 CB THR A 47 0.383 11.155 11.020 1.00 0.00 C ATOM 789 OG1 THR A 47 0.872 12.321 11.669 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.013 10.821 11.547 1.00 0.00 C ATOM 0 H THR A 47 2.855 11.393 10.796 1.00 0.00 H new ATOM 0 HA THR A 47 1.156 9.567 12.282 1.00 0.00 H new ATOM 0 HB THR A 47 0.328 11.333 9.946 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.284 13.079 11.467 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.685 11.656 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.387 9.929 11.045 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.963 10.640 12.621 1.00 0.00 H new ATOM 798 N TRP A 48 1.317 9.146 8.987 1.00 0.00 N ATOM 799 CA TRP A 48 1.014 8.110 7.946 1.00 0.00 C ATOM 800 C TRP A 48 2.126 7.056 7.820 1.00 0.00 C ATOM 801 O TRP A 48 1.958 6.060 7.144 1.00 0.00 O ATOM 802 CB TRP A 48 0.761 8.779 6.586 1.00 0.00 C ATOM 803 CG TRP A 48 1.985 9.463 6.060 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.185 10.801 6.060 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.155 8.873 5.421 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.404 11.070 5.464 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.043 9.915 5.060 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.535 7.551 5.129 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.261 9.654 4.429 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.759 7.284 4.494 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.621 8.334 4.146 1.00 0.00 C ATOM 0 H TRP A 48 1.711 10.018 8.635 1.00 0.00 H new ATOM 0 HA TRP A 48 0.113 7.588 8.269 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.429 8.028 5.869 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.046 9.505 6.684 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.505 11.538 6.460 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.785 12.008 5.338 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.880 6.734 5.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.920 10.467 4.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 5.038 6.264 4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.562 8.123 3.660 1.00 0.00 H new ATOM 822 N LYS A 49 3.240 7.236 8.466 1.00 0.00 N ATOM 823 CA LYS A 49 4.319 6.212 8.373 1.00 0.00 C ATOM 824 C LYS A 49 4.081 5.149 9.446 1.00 0.00 C ATOM 825 O LYS A 49 4.382 3.987 9.264 1.00 0.00 O ATOM 826 CB LYS A 49 5.686 6.877 8.582 1.00 0.00 C ATOM 827 CG LYS A 49 5.917 7.143 10.073 1.00 0.00 C ATOM 828 CD LYS A 49 7.117 8.078 10.247 1.00 0.00 C ATOM 829 CE LYS A 49 8.378 7.401 9.706 1.00 0.00 C ATOM 830 NZ LYS A 49 9.310 8.438 9.178 1.00 0.00 N ATOM 0 H LYS A 49 3.452 8.043 9.053 1.00 0.00 H new ATOM 0 HA LYS A 49 4.307 5.747 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.476 6.234 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.733 7.813 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.027 7.591 10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.095 6.204 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.940 9.015 9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.248 8.325 11.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.864 6.828 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.116 6.697 8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.168 7.979 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.844 8.966 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.569 9.093 9.943 1.00 0.00 H new ATOM 844 N ASN A 50 3.531 5.543 10.561 1.00 0.00 N ATOM 845 CA ASN A 50 3.258 4.562 11.647 1.00 0.00 C ATOM 846 C ASN A 50 1.969 3.808 11.320 1.00 0.00 C ATOM 847 O ASN A 50 1.801 2.659 11.678 1.00 0.00 O ATOM 848 CB ASN A 50 3.094 5.303 12.975 1.00 0.00 C ATOM 849 CG ASN A 50 3.070 4.294 14.124 1.00 0.00 C ATOM 850 OD1 ASN A 50 2.024 3.798 14.490 1.00 0.00 O ATOM 851 ND2 ASN A 50 4.188 3.967 14.711 1.00 0.00 N ATOM 0 H ASN A 50 3.258 6.504 10.767 1.00 0.00 H new ATOM 0 HA ASN A 50 4.087 3.859 11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.914 6.008 13.114 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.172 5.884 12.968 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.184 3.294 15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.067 4.384 14.403 1.00 0.00 H new ATOM 858 N ALA A 51 1.058 4.448 10.639 1.00 0.00 N ATOM 859 CA ALA A 51 -0.221 3.773 10.284 1.00 0.00 C ATOM 860 C ALA A 51 0.044 2.699 9.227 1.00 0.00 C ATOM 861 O ALA A 51 -0.489 1.609 9.288 1.00 0.00 O ATOM 862 CB ALA A 51 -1.200 4.805 9.723 1.00 0.00 C ATOM 0 H ALA A 51 1.145 5.411 10.313 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.647 3.310 11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.137 4.313 9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.389 5.572 10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.772 5.266 8.833 1.00 0.00 H new ATOM 868 N VAL A 52 0.861 2.999 8.254 1.00 0.00 N ATOM 869 CA VAL A 52 1.155 1.995 7.191 1.00 0.00 C ATOM 870 C VAL A 52 1.884 0.793 7.799 1.00 0.00 C ATOM 871 O VAL A 52 1.479 -0.341 7.629 1.00 0.00 O ATOM 872 CB VAL A 52 2.033 2.638 6.114 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.114 1.711 4.900 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.423 3.978 5.691 1.00 0.00 C ATOM 0 H VAL A 52 1.337 3.895 8.149 1.00 0.00 H new ATOM 0 HA VAL A 52 0.220 1.657 6.745 1.00 0.00 H new ATOM 0 HB VAL A 52 3.034 2.803 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.739 2.169 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.547 0.757 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.113 1.546 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.048 4.436 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.422 3.812 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.365 4.640 6.555 1.00 0.00 H new ATOM 884 N ARG A 53 2.956 1.028 8.506 1.00 0.00 N ATOM 885 CA ARG A 53 3.707 -0.105 9.120 1.00 0.00 C ATOM 886 C ARG A 53 2.747 -0.990 9.922 1.00 0.00 C ATOM 887 O ARG A 53 2.688 -2.189 9.734 1.00 0.00 O ATOM 888 CB ARG A 53 4.789 0.447 10.051 1.00 0.00 C ATOM 889 CG ARG A 53 5.795 -0.658 10.380 1.00 0.00 C ATOM 890 CD ARG A 53 7.181 -0.251 9.874 1.00 0.00 C ATOM 891 NE ARG A 53 8.227 -0.984 10.642 1.00 0.00 N ATOM 892 CZ ARG A 53 8.165 -1.037 11.944 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.873 0.035 12.629 1.00 0.00 N ATOM 894 NH2 ARG A 53 8.396 -2.163 12.562 1.00 0.00 N ATOM 0 H ARG A 53 3.344 1.954 8.685 1.00 0.00 H new ATOM 0 HA ARG A 53 4.170 -0.699 8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.298 1.286 9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.336 0.825 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.825 -0.829 11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.487 -1.595 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.272 -0.475 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.319 0.824 9.986 1.00 0.00 H new ATOM 0 HE ARG A 53 8.992 -1.445 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.693 0.915 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.825 -0.008 13.647 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.625 -3.001 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.348 -2.205 13.580 1.00 0.00 H new ATOM 908 N HIS A 54 1.998 -0.408 10.819 1.00 0.00 N ATOM 909 CA HIS A 54 1.048 -1.217 11.636 1.00 0.00 C ATOM 910 C HIS A 54 0.125 -2.019 10.715 1.00 0.00 C ATOM 911 O HIS A 54 -0.083 -3.202 10.907 1.00 0.00 O ATOM 912 CB HIS A 54 0.209 -0.282 12.510 1.00 0.00 C ATOM 913 CG HIS A 54 -0.847 -1.074 13.230 1.00 0.00 C ATOM 914 ND1 HIS A 54 -0.544 -1.933 14.276 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.209 -1.143 13.072 1.00 0.00 C ATOM 916 CE1 HIS A 54 -1.699 -2.476 14.702 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.745 -2.029 14.002 1.00 0.00 N ATOM 0 H HIS A 54 2.003 0.592 11.021 1.00 0.00 H new ATOM 0 HA HIS A 54 1.610 -1.905 12.268 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.848 0.229 13.230 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.256 0.487 11.894 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.778 -0.593 12.337 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.771 -3.187 15.512 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.726 -2.282 14.123 1.00 0.00 H new ATOM 925 N ASN A 55 -0.435 -1.387 9.721 1.00 0.00 N ATOM 926 CA ASN A 55 -1.349 -2.111 8.790 1.00 0.00 C ATOM 927 C ASN A 55 -0.543 -3.070 7.908 1.00 0.00 C ATOM 928 O ASN A 55 -1.036 -4.089 7.469 1.00 0.00 O ATOM 929 CB ASN A 55 -2.075 -1.099 7.903 1.00 0.00 C ATOM 930 CG ASN A 55 -3.395 -0.698 8.564 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.022 -1.500 9.229 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.846 0.516 8.409 1.00 0.00 N ATOM 0 H ASN A 55 -0.299 -0.398 9.512 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.074 -2.680 9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.450 -0.219 7.750 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.264 -1.530 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.725 0.793 8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.320 1.188 7.851 1.00 0.00 H new ATOM 939 N LEU A 56 0.690 -2.742 7.637 1.00 0.00 N ATOM 940 CA LEU A 56 1.530 -3.620 6.774 1.00 0.00 C ATOM 941 C LEU A 56 1.774 -4.971 7.460 1.00 0.00 C ATOM 942 O LEU A 56 1.711 -6.012 6.836 1.00 0.00 O ATOM 943 CB LEU A 56 2.876 -2.933 6.520 1.00 0.00 C ATOM 944 CG LEU A 56 3.029 -2.625 5.029 1.00 0.00 C ATOM 945 CD1 LEU A 56 1.741 -1.995 4.498 1.00 0.00 C ATOM 946 CD2 LEU A 56 4.190 -1.648 4.830 1.00 0.00 C ATOM 0 H LEU A 56 1.154 -1.900 7.978 1.00 0.00 H new ATOM 0 HA LEU A 56 1.011 -3.792 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.939 -2.012 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.691 -3.576 6.853 1.00 0.00 H new ATOM 0 HG LEU A 56 3.229 -3.550 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.854 -1.777 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.912 -2.688 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.538 -1.070 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.301 -1.427 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.986 -0.725 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.110 -2.095 5.206 1.00 0.00 H new ATOM 958 N SER A 57 2.073 -4.964 8.732 1.00 0.00 N ATOM 959 CA SER A 57 2.343 -6.250 9.443 1.00 0.00 C ATOM 960 C SER A 57 1.033 -6.902 9.903 1.00 0.00 C ATOM 961 O SER A 57 0.873 -8.105 9.831 1.00 0.00 O ATOM 962 CB SER A 57 3.225 -5.977 10.663 1.00 0.00 C ATOM 963 OG SER A 57 4.348 -6.849 10.634 1.00 0.00 O ATOM 0 H SER A 57 2.142 -4.126 9.309 1.00 0.00 H new ATOM 0 HA SER A 57 2.849 -6.929 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.556 -4.938 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.655 -6.129 11.580 1.00 0.00 H new ATOM 0 HG SER A 57 4.917 -6.676 11.413 1.00 0.00 H new ATOM 969 N LEU A 58 0.101 -6.128 10.386 1.00 0.00 N ATOM 970 CA LEU A 58 -1.185 -6.718 10.862 1.00 0.00 C ATOM 971 C LEU A 58 -2.028 -7.170 9.667 1.00 0.00 C ATOM 972 O LEU A 58 -2.985 -7.904 9.816 1.00 0.00 O ATOM 973 CB LEU A 58 -1.960 -5.670 11.662 1.00 0.00 C ATOM 974 CG LEU A 58 -3.168 -6.330 12.330 1.00 0.00 C ATOM 975 CD1 LEU A 58 -2.696 -7.182 13.510 1.00 0.00 C ATOM 976 CD2 LEU A 58 -4.124 -5.248 12.836 1.00 0.00 C ATOM 0 H LEU A 58 0.172 -5.114 10.472 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.970 -7.579 11.494 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.314 -5.221 12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.289 -4.865 11.005 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.682 -6.963 11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.556 -7.652 13.986 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.013 -7.952 13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.182 -6.549 14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.985 -5.717 13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.609 -4.616 13.560 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.460 -4.639 11.997 1.00 0.00 H new ATOM 988 N HIS A 59 -1.687 -6.744 8.483 1.00 0.00 N ATOM 989 CA HIS A 59 -2.478 -7.158 7.290 1.00 0.00 C ATOM 990 C HIS A 59 -1.930 -8.481 6.748 1.00 0.00 C ATOM 991 O HIS A 59 -0.862 -8.531 6.170 1.00 0.00 O ATOM 992 CB HIS A 59 -2.381 -6.081 6.208 1.00 0.00 C ATOM 993 CG HIS A 59 -3.304 -4.940 6.544 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.467 -5.117 7.277 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.245 -3.599 6.253 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.056 -3.913 7.401 1.00 0.00 C ATOM 997 NE2 HIS A 59 -4.352 -2.953 6.794 1.00 0.00 N ATOM 0 H HIS A 59 -0.897 -6.129 8.290 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.522 -7.287 7.576 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.355 -5.721 6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.645 -6.502 5.238 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.814 -5.999 7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.459 -3.119 5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.984 -3.744 7.927 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.652 -9.553 6.933 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.175 -10.875 6.433 1.00 0.00 C ATOM 1007 C LYS A 60 -2.397 -10.965 4.921 1.00 0.00 C ATOM 1008 O LYS A 60 -1.782 -11.766 4.244 1.00 0.00 O ATOM 1009 CB LYS A 60 -2.954 -11.994 7.131 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.035 -13.195 7.365 1.00 0.00 C ATOM 1011 CD LYS A 60 -2.473 -13.935 8.633 1.00 0.00 C ATOM 1012 CE LYS A 60 -1.830 -15.324 8.663 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.895 -16.366 8.658 1.00 0.00 N ATOM 0 H LYS A 60 -3.554 -9.571 7.410 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.112 -10.981 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.350 -11.636 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.808 -12.291 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.072 -13.867 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.002 -12.862 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.180 -13.368 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.559 -14.025 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.177 -15.453 7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.208 -15.429 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.458 -17.309 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.501 -16.247 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.471 -16.270 7.797 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.265 -10.154 4.382 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.513 -10.208 2.913 1.00 0.00 C ATOM 1029 C TYR A 61 -2.307 -9.626 2.172 1.00 0.00 C ATOM 1030 O TYR A 61 -2.196 -9.730 0.967 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.772 -9.409 2.567 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.561 -7.951 2.896 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.839 -7.134 2.020 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.096 -7.414 4.073 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.650 -5.781 2.321 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.908 -6.060 4.374 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.184 -5.243 3.498 1.00 0.00 C ATOM 1038 OH TYR A 61 -3.998 -3.907 3.793 1.00 0.00 O ATOM 0 H TYR A 61 -3.811 -9.459 4.892 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.659 -11.245 2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.006 -9.522 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.624 -9.797 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.427 -7.548 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.654 -8.045 4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.092 -5.151 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.321 -5.646 5.282 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.575 -3.460 3.031 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.394 -9.024 2.887 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.188 -8.447 2.227 1.00 0.00 C ATOM 1050 C PHE A 62 0.910 -9.514 2.186 1.00 0.00 C ATOM 1051 O PHE A 62 1.339 -10.010 3.210 1.00 0.00 O ATOM 1052 CB PHE A 62 0.309 -7.245 3.034 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.269 -5.969 2.469 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.102 -5.662 1.113 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -0.968 -5.090 3.304 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.636 -4.475 0.593 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.501 -3.904 2.785 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.335 -3.597 1.429 1.00 0.00 C ATOM 0 H PHE A 62 -1.432 -8.907 3.900 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.438 -8.127 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.020 -7.354 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.398 -7.204 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.438 -6.340 0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.096 -5.327 4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.508 -4.238 -0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.040 -3.226 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.746 -2.682 1.028 1.00 0.00 H new ATOM 1068 N VAL A 63 1.373 -9.876 1.019 1.00 0.00 N ATOM 1069 CA VAL A 63 2.438 -10.913 0.941 1.00 0.00 C ATOM 1070 C VAL A 63 3.694 -10.310 0.306 1.00 0.00 C ATOM 1071 O VAL A 63 3.634 -9.302 -0.370 1.00 0.00 O ATOM 1072 CB VAL A 63 1.950 -12.086 0.090 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.744 -13.343 0.449 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.463 -12.328 0.363 1.00 0.00 C ATOM 0 H VAL A 63 1.061 -9.501 0.123 1.00 0.00 H new ATOM 0 HA VAL A 63 2.672 -11.266 1.945 1.00 0.00 H new ATOM 0 HB VAL A 63 2.095 -11.854 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.396 -14.179 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.803 -13.172 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.600 -13.576 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.113 -13.164 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.320 -12.560 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.104 -11.433 0.108 1.00 0.00 H new ATOM 1084 N ARG A 64 4.832 -10.915 0.518 1.00 0.00 N ATOM 1085 CA ARG A 64 6.086 -10.367 -0.077 1.00 0.00 C ATOM 1086 C ARG A 64 6.854 -11.487 -0.783 1.00 0.00 C ATOM 1087 O ARG A 64 7.273 -12.448 -0.170 1.00 0.00 O ATOM 1088 CB ARG A 64 6.973 -9.764 1.019 1.00 0.00 C ATOM 1089 CG ARG A 64 6.130 -9.404 2.246 1.00 0.00 C ATOM 1090 CD ARG A 64 6.242 -10.522 3.286 1.00 0.00 C ATOM 1091 NE ARG A 64 4.904 -10.785 3.882 1.00 0.00 N ATOM 1092 CZ ARG A 64 4.807 -11.475 4.986 1.00 0.00 C ATOM 1093 NH1 ARG A 64 5.408 -11.060 6.067 1.00 0.00 N ATOM 1094 NH2 ARG A 64 4.114 -12.580 5.008 1.00 0.00 N ATOM 0 H ARG A 64 4.948 -11.762 1.075 1.00 0.00 H new ATOM 0 HA ARG A 64 5.822 -9.590 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.751 -10.475 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.476 -8.874 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.472 -8.461 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.088 -9.264 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.628 -11.429 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.949 -10.238 4.065 1.00 0.00 H new ATOM 0 HE ARG A 64 4.064 -10.427 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.953 -10.198 6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.333 -11.598 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.647 -12.906 4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.039 -13.118 5.871 1.00 0.00 H new ATOM 1108 N VAL A 65 7.044 -11.370 -2.069 1.00 0.00 N ATOM 1109 CA VAL A 65 7.784 -12.422 -2.813 1.00 0.00 C ATOM 1110 C VAL A 65 9.289 -12.157 -2.719 1.00 0.00 C ATOM 1111 O VAL A 65 9.834 -11.350 -3.445 1.00 0.00 O ATOM 1112 CB VAL A 65 7.357 -12.407 -4.282 1.00 0.00 C ATOM 1113 CG1 VAL A 65 8.022 -13.569 -5.020 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.836 -12.551 -4.370 1.00 0.00 C ATOM 0 H VAL A 65 6.717 -10.588 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 65 7.559 -13.396 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 65 7.662 -11.466 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.717 -13.558 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.105 -13.468 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.718 -14.511 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.529 -12.541 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.533 -13.493 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.361 -11.723 -3.844 1.00 0.00 H new ATOM 1124 N GLU A 66 9.966 -12.831 -1.828 1.00 0.00 N ATOM 1125 CA GLU A 66 11.432 -12.619 -1.688 1.00 0.00 C ATOM 1126 C GLU A 66 12.117 -12.880 -3.033 1.00 0.00 C ATOM 1127 O GLU A 66 12.079 -13.975 -3.557 1.00 0.00 O ATOM 1128 CB GLU A 66 11.989 -13.583 -0.638 1.00 0.00 C ATOM 1129 CG GLU A 66 13.447 -13.229 -0.339 1.00 0.00 C ATOM 1130 CD GLU A 66 13.502 -12.208 0.799 1.00 0.00 C ATOM 1131 OE1 GLU A 66 12.967 -12.499 1.856 1.00 0.00 O ATOM 1132 OE2 GLU A 66 14.078 -11.152 0.594 1.00 0.00 O ATOM 0 H GLU A 66 9.565 -13.520 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 66 11.622 -11.592 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.396 -13.525 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.920 -14.609 -0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.001 -14.126 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.923 -12.821 -1.231 1.00 0.00 H new ATOM 1139 N ASN A 67 12.745 -11.883 -3.596 1.00 0.00 N ATOM 1140 CA ASN A 67 13.427 -12.075 -4.898 1.00 0.00 C ATOM 1141 C ASN A 67 14.848 -11.512 -4.819 1.00 0.00 C ATOM 1142 O ASN A 67 15.143 -10.658 -4.006 1.00 0.00 O ATOM 1143 CB ASN A 67 12.648 -11.352 -5.998 1.00 0.00 C ATOM 1144 CG ASN A 67 11.408 -12.169 -6.365 1.00 0.00 C ATOM 1145 OD1 ASN A 67 11.314 -13.335 -6.033 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.443 -11.605 -7.040 1.00 0.00 N ATOM 0 H ASN A 67 12.813 -10.943 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 67 13.472 -13.139 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.355 -10.359 -5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.279 -11.215 -6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.612 -12.142 -7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.520 -10.627 -7.319 1.00 0.00 H new ATOM 1153 N VAL A 68 15.731 -11.988 -5.654 1.00 0.00 N ATOM 1154 CA VAL A 68 17.132 -11.483 -5.624 1.00 0.00 C ATOM 1155 C VAL A 68 17.137 -9.963 -5.797 1.00 0.00 C ATOM 1156 O VAL A 68 17.913 -9.262 -5.177 1.00 0.00 O ATOM 1157 CB VAL A 68 17.928 -12.123 -6.762 1.00 0.00 C ATOM 1158 CG1 VAL A 68 19.309 -11.469 -6.846 1.00 0.00 C ATOM 1159 CG2 VAL A 68 18.089 -13.621 -6.493 1.00 0.00 C ATOM 0 H VAL A 68 15.542 -12.704 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 68 17.586 -11.740 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 68 17.398 -11.978 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.878 -11.924 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 68 19.195 -10.402 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.839 -11.615 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.656 -14.077 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.620 -13.767 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.106 -14.087 -6.431 1.00 0.00 H new ATOM 1169 N LYS A 69 16.282 -9.448 -6.636 1.00 0.00 N ATOM 1170 CA LYS A 69 16.245 -7.978 -6.849 1.00 0.00 C ATOM 1171 C LYS A 69 15.653 -7.297 -5.613 1.00 0.00 C ATOM 1172 O LYS A 69 15.748 -6.097 -5.448 1.00 0.00 O ATOM 1173 CB LYS A 69 15.384 -7.660 -8.073 1.00 0.00 C ATOM 1174 CG LYS A 69 16.006 -6.495 -8.845 1.00 0.00 C ATOM 1175 CD LYS A 69 16.781 -7.035 -10.048 1.00 0.00 C ATOM 1176 CE LYS A 69 18.127 -6.312 -10.153 1.00 0.00 C ATOM 1177 NZ LYS A 69 19.135 -7.224 -10.763 1.00 0.00 N ATOM 0 H LYS A 69 15.608 -9.983 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 69 17.257 -7.610 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.309 -8.537 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.371 -7.405 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.227 -5.809 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.672 -5.928 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.940 -8.108 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.205 -6.888 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.022 -5.412 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.459 -5.994 -9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.049 -6.733 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.242 -8.071 -10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.818 -7.506 -11.713 1.00 0.00 H new ATOM 1191 N GLY A 70 15.043 -8.054 -4.741 1.00 0.00 N ATOM 1192 CA GLY A 70 14.449 -7.452 -3.521 1.00 0.00 C ATOM 1193 C GLY A 70 12.984 -7.880 -3.397 1.00 0.00 C ATOM 1194 O GLY A 70 12.200 -7.715 -4.311 1.00 0.00 O ATOM 0 H GLY A 70 14.932 -9.065 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.006 -7.768 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.518 -6.365 -3.569 1.00 0.00 H new ATOM 1198 N ALA A 71 12.609 -8.429 -2.274 1.00 0.00 N ATOM 1199 CA ALA A 71 11.196 -8.867 -2.091 1.00 0.00 C ATOM 1200 C ALA A 71 10.252 -7.755 -2.551 1.00 0.00 C ATOM 1201 O ALA A 71 10.564 -6.585 -2.457 1.00 0.00 O ATOM 1202 CB ALA A 71 10.943 -9.171 -0.613 1.00 0.00 C ATOM 0 H ALA A 71 13.221 -8.593 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 71 11.016 -9.764 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.910 -9.491 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.614 -9.964 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.124 -8.274 -0.021 1.00 0.00 H new ATOM 1208 N VAL A 72 9.098 -8.110 -3.046 1.00 0.00 N ATOM 1209 CA VAL A 72 8.135 -7.071 -3.510 1.00 0.00 C ATOM 1210 C VAL A 72 6.869 -7.132 -2.654 1.00 0.00 C ATOM 1211 O VAL A 72 6.491 -8.174 -2.161 1.00 0.00 O ATOM 1212 CB VAL A 72 7.767 -7.323 -4.970 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.888 -6.812 -5.877 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.577 -8.825 -5.194 1.00 0.00 C ATOM 0 H VAL A 72 8.780 -9.074 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 72 8.596 -6.088 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 72 6.842 -6.798 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.624 -6.993 -6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.026 -5.743 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.814 -7.336 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.314 -9.007 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.503 -9.348 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.778 -9.191 -4.549 1.00 0.00 H new ATOM 1224 N TRP A 73 6.218 -6.019 -2.468 1.00 0.00 N ATOM 1225 CA TRP A 73 4.985 -6.009 -1.637 1.00 0.00 C ATOM 1226 C TRP A 73 3.765 -6.375 -2.485 1.00 0.00 C ATOM 1227 O TRP A 73 3.414 -5.681 -3.416 1.00 0.00 O ATOM 1228 CB TRP A 73 4.784 -4.625 -1.015 1.00 0.00 C ATOM 1229 CG TRP A 73 5.537 -4.549 0.273 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.515 -3.656 0.551 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.395 -5.383 1.459 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.982 -3.888 1.831 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.322 -4.943 2.432 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.559 -6.468 1.782 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.417 -5.556 3.682 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.651 -7.088 3.039 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.580 -6.633 3.987 1.00 0.00 C ATOM 0 H TRP A 73 6.487 -5.115 -2.856 1.00 0.00 H new ATOM 0 HA TRP A 73 5.097 -6.748 -0.844 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.133 -3.852 -1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.724 -4.442 -0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.872 -2.887 -0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.723 -3.347 2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.842 -6.826 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.132 -5.201 4.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.004 -7.919 3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.648 -7.114 4.951 1.00 0.00 H new ATOM 1248 N THR A 74 3.111 -7.464 -2.172 1.00 0.00 N ATOM 1249 CA THR A 74 1.926 -7.867 -2.962 1.00 0.00 C ATOM 1250 C THR A 74 0.718 -8.056 -2.046 1.00 0.00 C ATOM 1251 O THR A 74 0.814 -7.937 -0.840 1.00 0.00 O ATOM 1252 CB THR A 74 2.230 -9.180 -3.682 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.029 -9.721 -4.213 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.846 -10.172 -2.695 1.00 0.00 C ATOM 0 H THR A 74 3.352 -8.087 -1.402 1.00 0.00 H new ATOM 0 HA THR A 74 1.697 -7.087 -3.688 1.00 0.00 H new ATOM 0 HB THR A 74 2.932 -8.994 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.645 -9.092 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.063 -11.109 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.769 -9.757 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.145 -10.358 -1.881 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.419 -8.351 -2.613 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.641 -8.550 -1.786 1.00 0.00 C ATOM 1264 C VAL A 75 -2.330 -9.851 -2.197 1.00 0.00 C ATOM 1265 O VAL A 75 -2.414 -10.178 -3.364 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.601 -7.381 -2.011 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.921 -7.660 -1.292 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.978 -6.096 -1.459 1.00 0.00 C ATOM 0 H VAL A 75 -0.554 -8.463 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.362 -8.601 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.788 -7.264 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.606 -6.827 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.364 -8.575 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.736 -7.778 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.662 -5.262 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.791 -6.212 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.037 -5.898 -1.973 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.836 -10.591 -1.249 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.529 -11.865 -1.592 1.00 0.00 C ATOM 1280 C ASP A 76 -5.021 -11.582 -1.785 1.00 0.00 C ATOM 1281 O ASP A 76 -5.743 -11.338 -0.839 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.343 -12.874 -0.456 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.918 -14.224 -1.034 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -2.032 -14.234 -1.874 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.484 -15.226 -0.628 1.00 0.00 O ATOM 0 H ASP A 76 -2.800 -10.369 -0.254 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.108 -12.277 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.590 -12.514 0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.272 -12.983 0.103 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.488 -11.606 -3.003 1.00 0.00 N ATOM 1291 CA GLU A 77 -6.932 -11.331 -3.251 1.00 0.00 C ATOM 1292 C GLU A 77 -7.786 -12.230 -2.356 1.00 0.00 C ATOM 1293 O GLU A 77 -8.837 -11.839 -1.891 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.263 -11.606 -4.719 1.00 0.00 C ATOM 1295 CG GLU A 77 -8.289 -10.583 -5.208 1.00 0.00 C ATOM 1296 CD GLU A 77 -7.848 -10.025 -6.562 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -6.906 -9.250 -6.583 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -8.460 -10.382 -7.555 1.00 0.00 O ATOM 0 H GLU A 77 -4.934 -11.804 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.145 -10.287 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.358 -11.548 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.658 -12.616 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.270 -11.050 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.386 -9.774 -4.484 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.342 -13.432 -2.107 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.128 -14.348 -1.240 1.00 0.00 C ATOM 1307 C VAL A 78 -8.156 -13.788 0.182 1.00 0.00 C ATOM 1308 O VAL A 78 -9.203 -13.505 0.729 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.474 -15.730 -1.236 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.134 -16.608 -0.172 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.650 -16.377 -2.611 1.00 0.00 C ATOM 0 H VAL A 78 -6.469 -13.817 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.146 -14.434 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.412 -15.628 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.666 -17.592 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.011 -16.147 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.196 -16.711 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.185 -17.363 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.713 -16.477 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.178 -15.753 -3.370 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.011 -13.625 0.782 1.00 0.00 N ATOM 1322 CA GLU A 79 -6.963 -13.080 2.165 1.00 0.00 C ATOM 1323 C GLU A 79 -7.445 -11.628 2.151 1.00 0.00 C ATOM 1324 O GLU A 79 -8.030 -11.148 3.102 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.526 -13.139 2.688 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.485 -12.627 4.129 1.00 0.00 C ATOM 1327 CD GLU A 79 -5.036 -13.754 5.060 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -3.842 -13.998 5.131 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.893 -14.354 5.687 1.00 0.00 O ATOM 0 H GLU A 79 -6.104 -13.847 0.372 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.607 -13.672 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.154 -14.162 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.873 -12.535 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.800 -11.783 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.470 -12.267 4.426 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.205 -10.926 1.078 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.645 -9.509 0.996 1.00 0.00 C ATOM 1338 C PHE A 80 -9.171 -9.454 0.890 1.00 0.00 C ATOM 1339 O PHE A 80 -9.829 -8.748 1.630 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.023 -8.854 -0.239 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.540 -7.442 -0.380 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.781 -7.207 -0.985 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.777 -6.366 0.091 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -9.257 -5.898 -1.119 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -7.255 -5.057 -0.043 1.00 0.00 C ATOM 1346 CZ PHE A 80 -8.494 -4.823 -0.648 1.00 0.00 C ATOM 0 H PHE A 80 -6.721 -11.277 0.252 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.324 -8.976 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.937 -8.847 -0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.267 -9.432 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.371 -8.036 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.820 -6.546 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.214 -5.717 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.667 -4.228 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.862 -3.813 -0.752 1.00 0.00 H new ATOM 1356 N GLN A 81 -9.741 -10.193 -0.024 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.223 -10.181 -0.176 1.00 0.00 C ATOM 1358 C GLN A 81 -11.862 -10.874 1.029 1.00 0.00 C ATOM 1359 O GLN A 81 -12.995 -10.613 1.381 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.616 -10.914 -1.463 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.496 -12.428 -1.261 1.00 0.00 C ATOM 1362 CD GLN A 81 -11.757 -13.143 -2.586 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -11.775 -12.523 -3.632 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -11.964 -14.431 -2.589 1.00 0.00 N ATOM 0 H GLN A 81 -9.243 -10.804 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.575 -9.151 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.638 -10.656 -1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.973 -10.596 -2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.502 -12.678 -0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.210 -12.763 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.949 -14.952 -1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.141 -14.917 -3.468 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.142 -11.757 1.664 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.705 -12.467 2.845 1.00 0.00 C ATOM 1375 C LYS A 82 -12.294 -11.447 3.820 1.00 0.00 C ATOM 1376 O LYS A 82 -13.449 -11.521 4.191 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.594 -13.255 3.541 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.007 -14.722 3.666 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.425 -15.308 4.952 1.00 0.00 C ATOM 1380 CE LYS A 82 -10.707 -16.810 5.003 1.00 0.00 C ATOM 1381 NZ LYS A 82 -12.087 -17.072 4.504 1.00 0.00 N ATOM 0 H LYS A 82 -10.188 -12.017 1.415 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.488 -13.152 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.667 -13.175 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.401 -12.836 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.094 -14.805 3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.651 -15.286 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.351 -15.128 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.864 -14.815 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.980 -17.348 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.602 -17.176 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.414 -17.995 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.727 -16.326 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.085 -17.078 3.464 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.508 -10.494 4.242 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.015 -9.474 5.193 1.00 0.00 C ATOM 1397 C ARG A 83 -12.372 -8.193 4.435 1.00 0.00 C ATOM 1398 O ARG A 83 -11.920 -7.118 4.770 1.00 0.00 O ATOM 1399 CB ARG A 83 -10.940 -9.167 6.236 1.00 0.00 C ATOM 1400 CG ARG A 83 -11.553 -8.345 7.371 1.00 0.00 C ATOM 1401 CD ARG A 83 -10.775 -7.038 7.531 1.00 0.00 C ATOM 1402 NE ARG A 83 -11.377 -6.236 8.632 1.00 0.00 N ATOM 1403 CZ ARG A 83 -11.117 -6.535 9.875 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -10.465 -7.629 10.164 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -11.507 -5.737 10.832 1.00 0.00 N ATOM 0 H ARG A 83 -10.533 -10.381 3.966 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.905 -9.858 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.523 -10.095 6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.119 -8.617 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.601 -8.133 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.527 -8.913 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.728 -7.249 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.797 -6.472 6.600 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.993 -5.453 8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.158 -8.252 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.263 -7.860 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.014 -4.881 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.304 -5.970 11.804 1.00 0.00 H new