USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 795 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 85 THR OG1 : rot 180:sc= 0.00274 USER MOD Set 1.2: A 91 THR OG1 : rot -149:sc= -1.17 USER MOD Set 2.1: A 10 ASN : amide:sc= -4.4! C(o=-9.4!,f=-13!) USER MOD Set 2.2: A 62 GLN : amide:sc= -4.96! C(o=-9.4!,f=-12!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -8.39! C(o=-8.4!,f=-23!) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.00308) USER MOD Single : A 26 TYR OH : rot 86:sc= -2.07 USER MOD Single : A 28 ASN : amide:sc= -6.52! C(o=-6.5!,f=-8.9!) USER MOD Single : A 31 MET CE :methyl -155:sc= -0.0885 (180deg=-0.498) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -150:sc= -0.855 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -1.68 (180deg=-3.1!) USER MOD Single : A 46 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.6!) USER MOD Single : A 48 GLN : amide:sc= -13.3! C(o=-13!,f=-28!) USER MOD Single : A 61 ASN : amide:sc= -0.857 K(o=-0.86,f=-3.9!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 123:sc= -1.25 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.905) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.086 K(o=-0.086,f=-2.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 137:sc= 0.243 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -14.464 1.516 -2.805 1.00 0.00 N ATOM 122 CA TYR A 8 -13.311 0.663 -2.574 1.00 0.00 C ATOM 123 C TYR A 8 -13.713 -0.540 -1.871 1.00 0.00 C ATOM 124 O TYR A 8 -13.802 -0.573 -0.659 1.00 0.00 O ATOM 125 CB TYR A 8 -12.242 1.406 -1.771 1.00 0.00 C ATOM 126 CG TYR A 8 -12.798 2.213 -0.633 1.00 0.00 C ATOM 127 CD1 TYR A 8 -12.977 1.637 0.569 1.00 0.00 C ATOM 128 CD2 TYR A 8 -13.139 3.550 -0.793 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.477 2.369 1.620 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.644 4.289 0.205 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.814 3.694 1.437 1.00 0.00 C ATOM 132 OH TYR A 8 -14.311 4.429 2.487 1.00 0.00 O ATOM 0 HA TYR A 8 -12.889 0.387 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.527 0.683 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.691 2.068 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.727 0.596 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.992 4.012 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.606 1.907 2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.911 5.324 0.048 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.496 5.344 2.188 1.00 0.00 H new ATOM 142 N ASP A 9 -13.963 -1.591 -2.628 1.00 0.00 N ATOM 143 CA ASP A 9 -14.364 -2.878 -2.088 1.00 0.00 C ATOM 144 C ASP A 9 -13.205 -3.863 -2.097 1.00 0.00 C ATOM 145 O ASP A 9 -13.394 -5.058 -2.305 1.00 0.00 O ATOM 146 CB ASP A 9 -15.550 -3.452 -2.858 1.00 0.00 C ATOM 147 CG ASP A 9 -16.553 -4.145 -1.965 1.00 0.00 C ATOM 148 OD1 ASP A 9 -17.321 -3.438 -1.287 1.00 0.00 O ATOM 149 OD2 ASP A 9 -16.573 -5.390 -1.947 1.00 0.00 O ATOM 0 H ASP A 9 -13.893 -1.576 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.670 -2.717 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.048 -2.648 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.185 -4.159 -3.603 1.00 0.00 H new ATOM 154 N ASN A 10 -11.996 -3.351 -1.882 1.00 0.00 N ATOM 155 CA ASN A 10 -10.801 -4.188 -1.871 1.00 0.00 C ATOM 156 C ASN A 10 -10.546 -4.765 -0.513 1.00 0.00 C ATOM 157 O ASN A 10 -10.741 -5.957 -0.284 1.00 0.00 O ATOM 158 CB ASN A 10 -9.583 -3.382 -2.324 1.00 0.00 C ATOM 159 CG ASN A 10 -8.322 -4.217 -2.368 1.00 0.00 C ATOM 160 OD1 ASN A 10 -8.371 -5.437 -2.554 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.177 -3.568 -2.194 1.00 0.00 N ATOM 0 H ASN A 10 -11.819 -2.361 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.971 -5.011 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.774 -2.965 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.435 -2.541 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.294 -4.078 -2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.180 -2.559 -2.043 1.00 0.00 H new ATOM 168 N ILE A 11 -10.117 -3.906 0.368 1.00 0.00 N ATOM 169 CA ILE A 11 -9.843 -4.337 1.734 1.00 0.00 C ATOM 170 C ILE A 11 -10.175 -3.207 2.721 1.00 0.00 C ATOM 171 O ILE A 11 -10.494 -2.094 2.309 1.00 0.00 O ATOM 172 CB ILE A 11 -8.364 -4.761 1.897 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.210 -5.718 3.074 1.00 0.00 C ATOM 174 CG2 ILE A 11 -7.453 -3.545 2.061 1.00 0.00 C ATOM 175 CD1 ILE A 11 -7.384 -6.948 2.751 1.00 0.00 C ATOM 0 H ILE A 11 -9.948 -2.917 0.183 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.473 -5.200 1.950 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.060 -5.280 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.746 -5.187 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.199 -6.032 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.421 -3.876 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.536 -2.907 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.752 -2.983 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.317 -7.583 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.858 -7.502 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.383 -6.644 2.446 1.00 0.00 H new ATOM 187 N ASN A 12 -10.102 -3.512 4.014 1.00 0.00 N ATOM 188 CA ASN A 12 -10.405 -2.528 5.040 1.00 0.00 C ATOM 189 C ASN A 12 -9.311 -1.466 5.113 1.00 0.00 C ATOM 190 O ASN A 12 -8.588 -1.362 6.104 1.00 0.00 O ATOM 191 CB ASN A 12 -10.559 -3.212 6.401 1.00 0.00 C ATOM 192 CG ASN A 12 -11.981 -3.661 6.667 1.00 0.00 C ATOM 193 OD1 ASN A 12 -12.542 -4.461 5.918 1.00 0.00 O ATOM 194 ND2 ASN A 12 -12.582 -3.152 7.736 1.00 0.00 N ATOM 0 H ASN A 12 -9.836 -4.430 4.371 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.344 -2.041 4.777 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.894 -4.075 6.448 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.245 -2.525 7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.540 -3.422 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.086 -2.491 8.334 1.00 0.00 H new ATOM 201 N LEU A 13 -9.192 -0.678 4.050 1.00 0.00 N ATOM 202 CA LEU A 13 -8.190 0.301 3.987 1.00 0.00 C ATOM 203 C LEU A 13 -8.689 1.564 4.666 1.00 0.00 C ATOM 204 O LEU A 13 -8.714 2.644 4.077 1.00 0.00 O ATOM 205 CB LEU A 13 -7.813 0.586 2.528 1.00 0.00 C ATOM 206 CG LEU A 13 -6.577 -0.092 2.039 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.622 -0.243 0.527 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.308 0.543 2.469 1.00 0.00 C ATOM 0 H LEU A 13 -9.797 -0.723 3.230 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.298 -0.057 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.646 0.288 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.688 1.662 2.407 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.574 -1.074 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.714 -0.739 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.490 -0.840 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.694 0.742 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.465 -0.019 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.271 1.568 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.254 0.547 3.558 1.00 0.00 H new ATOM 220 N ASP A 14 -9.073 1.407 5.915 1.00 0.00 N ATOM 221 CA ASP A 14 -9.558 2.513 6.723 1.00 0.00 C ATOM 222 C ASP A 14 -8.783 2.554 8.020 1.00 0.00 C ATOM 223 O ASP A 14 -8.266 3.603 8.423 1.00 0.00 O ATOM 224 CB ASP A 14 -11.058 2.361 7.003 1.00 0.00 C ATOM 225 CG ASP A 14 -11.777 3.689 7.030 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.786 4.334 8.100 1.00 0.00 O ATOM 227 OD2 ASP A 14 -12.333 4.086 5.983 1.00 0.00 O ATOM 0 H ASP A 14 -9.059 0.511 6.402 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.410 3.447 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.505 1.725 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.197 1.856 7.959 1.00 0.00 H new ATOM 232 N GLU A 15 -8.685 1.400 8.673 1.00 0.00 N ATOM 233 CA GLU A 15 -7.949 1.284 9.918 1.00 0.00 C ATOM 234 C GLU A 15 -6.484 1.632 9.708 1.00 0.00 C ATOM 235 O GLU A 15 -5.812 2.103 10.626 1.00 0.00 O ATOM 236 CB GLU A 15 -8.075 -0.099 10.476 1.00 0.00 C ATOM 237 CG GLU A 15 -8.249 -0.137 11.990 1.00 0.00 C ATOM 238 CD GLU A 15 -6.997 -0.568 12.708 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.757 -1.787 12.737 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.265 0.217 13.235 1.00 0.00 O ATOM 0 H GLU A 15 -9.111 0.529 8.354 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.375 1.989 10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.927 -0.593 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.188 -0.672 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.543 0.851 12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.061 -0.820 12.241 1.00 0.00 H new ATOM 247 N ILE A 16 -5.988 1.408 8.491 1.00 0.00 N ATOM 248 CA ILE A 16 -4.595 1.717 8.184 1.00 0.00 C ATOM 249 C ILE A 16 -4.435 3.153 7.701 1.00 0.00 C ATOM 250 O ILE A 16 -3.315 3.639 7.554 1.00 0.00 O ATOM 251 CB ILE A 16 -4.018 0.764 7.123 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.399 -0.602 7.446 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.500 0.916 7.047 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.136 -1.561 6.299 1.00 0.00 C ATOM 0 H ILE A 16 -6.522 1.020 7.714 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.041 1.587 9.114 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.424 1.014 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.847 -0.932 8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.458 -0.630 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.104 0.236 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.250 1.942 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.062 0.678 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.437 -2.567 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.709 -1.249 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.073 -1.556 6.057 1.00 0.00 H new ATOM 266 N LEU A 17 -5.552 3.836 7.463 1.00 0.00 N ATOM 267 CA LEU A 17 -5.517 5.218 7.008 1.00 0.00 C ATOM 268 C LEU A 17 -5.700 6.171 8.186 1.00 0.00 C ATOM 269 O LEU A 17 -6.159 7.305 8.021 1.00 0.00 O ATOM 270 CB LEU A 17 -6.605 5.468 5.964 1.00 0.00 C ATOM 271 CG LEU A 17 -6.215 5.106 4.528 1.00 0.00 C ATOM 272 CD1 LEU A 17 -7.428 5.152 3.615 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.128 6.043 4.018 1.00 0.00 C ATOM 0 H LEU A 17 -6.490 3.453 7.578 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.544 5.402 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.491 4.896 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.883 6.521 5.995 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.823 4.089 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.129 4.892 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.175 4.441 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.851 6.157 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.863 5.771 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.494 7.069 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.248 5.960 4.655 1.00 0.00 H new ATOM 285 N ALA A 18 -5.342 5.703 9.378 1.00 0.00 N ATOM 286 CA ALA A 18 -5.465 6.502 10.584 1.00 0.00 C ATOM 287 C ALA A 18 -4.373 7.562 10.668 1.00 0.00 C ATOM 288 O ALA A 18 -4.614 8.739 10.385 1.00 0.00 O ATOM 289 CB ALA A 18 -5.435 5.606 11.816 1.00 0.00 C ATOM 0 H ALA A 18 -4.963 4.769 9.531 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.424 7.019 10.545 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.528 6.218 12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.263 4.899 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.492 5.060 11.846 1.00 0.00 H new ATOM 295 N ASN A 19 -3.173 7.152 11.067 1.00 0.00 N ATOM 296 CA ASN A 19 -2.063 8.076 11.200 1.00 0.00 C ATOM 297 C ASN A 19 -0.735 7.406 10.898 1.00 0.00 C ATOM 298 O ASN A 19 -0.677 6.205 10.601 1.00 0.00 O ATOM 299 CB ASN A 19 -2.051 8.666 12.606 1.00 0.00 C ATOM 300 CG ASN A 19 -1.551 7.684 13.659 1.00 0.00 C ATOM 301 OD1 ASN A 19 -0.573 7.938 14.330 1.00 0.00 O ATOM 302 ND2 ASN A 19 -2.240 6.560 13.805 1.00 0.00 N ATOM 0 H ASN A 19 -2.949 6.185 11.303 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.199 8.875 10.471 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.419 9.554 12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.059 8.989 12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.952 5.872 14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.057 6.383 13.221 1.00 0.00 H new ATOM 309 N LYS A 20 0.263 8.180 11.001 1.00 0.00 N ATOM 310 CA LYS A 20 1.612 7.680 10.755 1.00 0.00 C ATOM 311 C LYS A 20 1.915 6.495 11.657 1.00 0.00 C ATOM 312 O LYS A 20 2.576 5.547 11.243 1.00 0.00 O ATOM 313 CB LYS A 20 2.641 8.784 10.967 1.00 0.00 C ATOM 314 CG LYS A 20 2.884 9.155 12.424 1.00 0.00 C ATOM 315 CD LYS A 20 1.713 9.920 13.015 1.00 0.00 C ATOM 316 CE LYS A 20 1.404 11.169 12.219 1.00 0.00 C ATOM 317 NZ LYS A 20 0.362 12.014 12.880 1.00 0.00 N ATOM 0 H LYS A 20 0.208 9.167 11.252 1.00 0.00 H new ATOM 0 HA LYS A 20 1.669 7.349 9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.586 8.471 10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.315 9.674 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.057 8.249 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.788 9.759 12.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.833 9.277 13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.939 10.192 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.316 11.752 12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.064 10.888 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.059 12.765 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.456 11.423 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.758 12.443 13.741 1.00 0.00 H new ATOM 331 N ARG A 21 1.425 6.538 12.892 1.00 0.00 N ATOM 332 CA ARG A 21 1.659 5.452 13.834 1.00 0.00 C ATOM 333 C ARG A 21 1.207 4.120 13.246 1.00 0.00 C ATOM 334 O ARG A 21 1.753 3.065 13.579 1.00 0.00 O ATOM 335 CB ARG A 21 0.926 5.724 15.149 1.00 0.00 C ATOM 336 CG ARG A 21 1.416 6.966 15.866 1.00 0.00 C ATOM 337 CD ARG A 21 0.381 7.492 16.846 1.00 0.00 C ATOM 338 NE ARG A 21 0.600 6.981 18.201 1.00 0.00 N ATOM 339 CZ ARG A 21 1.641 7.318 18.955 1.00 0.00 C ATOM 340 NH1 ARG A 21 2.559 8.158 18.498 1.00 0.00 N ATOM 341 NH2 ARG A 21 1.762 6.806 20.177 1.00 0.00 N ATOM 0 H ARG A 21 0.867 7.308 13.261 1.00 0.00 H new ATOM 0 HA ARG A 21 2.729 5.395 14.032 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.140 5.827 14.947 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.044 4.863 15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.339 6.739 16.399 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.652 7.739 15.135 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.415 8.581 16.859 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.616 7.208 16.508 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.084 6.331 18.587 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.469 8.551 17.561 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.355 8.411 19.083 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.058 6.158 20.531 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.559 7.061 20.760 1.00 0.00 H new ATOM 355 N LEU A 22 0.214 4.170 12.368 1.00 0.00 N ATOM 356 CA LEU A 22 -0.247 2.962 11.737 1.00 0.00 C ATOM 357 C LEU A 22 0.400 2.683 10.419 1.00 0.00 C ATOM 358 O LEU A 22 0.983 1.619 10.239 1.00 0.00 O ATOM 359 CB LEU A 22 -1.727 3.069 11.521 1.00 0.00 C ATOM 360 CG LEU A 22 -2.591 2.518 12.663 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.293 3.646 13.400 1.00 0.00 C ATOM 362 CD2 LEU A 22 -3.600 1.508 12.131 1.00 0.00 C ATOM 0 H LEU A 22 -0.273 5.021 12.087 1.00 0.00 H new ATOM 0 HA LEU A 22 0.018 2.141 12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.981 4.118 11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.984 2.540 10.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.938 2.008 13.371 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.900 3.232 14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.550 4.325 13.818 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.933 4.191 12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.204 1.128 12.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.248 1.991 11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.072 0.681 11.657 1.00 0.00 H new ATOM 374 N LEU A 23 0.360 3.642 9.501 1.00 0.00 N ATOM 375 CA LEU A 23 1.012 3.470 8.208 1.00 0.00 C ATOM 376 C LEU A 23 2.482 3.118 8.417 1.00 0.00 C ATOM 377 O LEU A 23 3.043 2.255 7.731 1.00 0.00 O ATOM 378 CB LEU A 23 0.886 4.740 7.369 1.00 0.00 C ATOM 379 CG LEU A 23 -0.423 5.013 6.780 1.00 0.00 C ATOM 380 CD1 LEU A 23 -0.980 3.746 6.149 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.354 5.536 7.851 1.00 0.00 C ATOM 0 H LEU A 23 -0.112 4.538 9.625 1.00 0.00 H new ATOM 0 HA LEU A 23 0.522 2.657 7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.161 5.589 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.617 4.688 6.562 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.327 5.768 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.956 3.956 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.301 3.398 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.083 2.974 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.332 5.741 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.457 4.790 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.945 6.454 8.272 1.00 0.00 H new ATOM 393 N VAL A 24 3.086 3.772 9.401 1.00 0.00 N ATOM 394 CA VAL A 24 4.481 3.530 9.729 1.00 0.00 C ATOM 395 C VAL A 24 4.620 2.154 10.355 1.00 0.00 C ATOM 396 O VAL A 24 5.543 1.401 10.039 1.00 0.00 O ATOM 397 CB VAL A 24 5.035 4.601 10.689 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.395 4.204 11.230 1.00 0.00 C ATOM 399 CG2 VAL A 24 5.109 5.953 9.979 1.00 0.00 C ATOM 0 H VAL A 24 2.630 4.473 9.984 1.00 0.00 H new ATOM 0 HA VAL A 24 5.060 3.581 8.807 1.00 0.00 H new ATOM 0 HB VAL A 24 4.355 4.685 11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.759 4.980 11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.310 3.262 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.095 4.084 10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.502 6.703 10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.766 5.874 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.112 6.247 9.652 1.00 0.00 H new ATOM 409 N ALA A 25 3.683 1.813 11.242 1.00 0.00 N ATOM 410 CA ALA A 25 3.693 0.512 11.890 1.00 0.00 C ATOM 411 C ALA A 25 3.682 -0.517 10.844 1.00 0.00 C ATOM 412 O ALA A 25 4.517 -1.408 10.861 1.00 0.00 O ATOM 413 CB ALA A 25 2.503 0.376 12.832 1.00 0.00 C ATOM 0 H ALA A 25 2.913 2.421 11.523 1.00 0.00 H new ATOM 0 HA ALA A 25 4.589 0.394 12.499 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.526 -0.604 13.309 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.553 1.152 13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.577 0.483 12.267 1.00 0.00 H new ATOM 419 N TYR A 26 2.753 -0.411 9.898 1.00 0.00 N ATOM 420 CA TYR A 26 2.651 -1.355 8.815 1.00 0.00 C ATOM 421 C TYR A 26 3.977 -1.423 8.064 1.00 0.00 C ATOM 422 O TYR A 26 4.467 -2.506 7.757 1.00 0.00 O ATOM 423 CB TYR A 26 1.539 -0.962 7.844 1.00 0.00 C ATOM 424 CG TYR A 26 1.094 -2.096 6.952 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.743 -2.343 5.745 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.038 -2.921 7.306 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.352 -3.379 4.923 1.00 0.00 C ATOM 428 CE2 TYR A 26 -0.309 -3.961 6.484 1.00 0.00 C ATOM 429 CZ TYR A 26 0.298 -4.181 5.295 1.00 0.00 C ATOM 430 OH TYR A 26 -0.047 -5.216 4.479 1.00 0.00 O ATOM 0 H TYR A 26 2.056 0.334 9.870 1.00 0.00 H new ATOM 0 HA TYR A 26 2.412 -2.331 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.683 -0.599 8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.884 -0.135 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.567 -1.712 5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.507 -2.746 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.870 -3.560 3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.097 -4.630 6.797 1.00 0.00 H new ATOM 0 HH TYR A 26 0.499 -6.000 4.697 1.00 0.00 H new ATOM 440 N VAL A 27 4.555 -0.286 7.800 1.00 0.00 N ATOM 441 CA VAL A 27 5.839 -0.227 7.110 1.00 0.00 C ATOM 442 C VAL A 27 6.860 -1.083 7.812 1.00 0.00 C ATOM 443 O VAL A 27 7.588 -1.845 7.170 1.00 0.00 O ATOM 444 CB VAL A 27 6.376 1.161 7.020 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.718 1.193 6.307 1.00 0.00 C ATOM 446 CG2 VAL A 27 5.373 2.068 6.319 1.00 0.00 C ATOM 0 H VAL A 27 4.166 0.624 8.048 1.00 0.00 H new ATOM 0 HA VAL A 27 5.658 -0.597 6.101 1.00 0.00 H new ATOM 0 HB VAL A 27 6.534 1.528 8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.080 2.220 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.435 0.580 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.602 0.802 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.776 3.079 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.184 1.693 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.440 2.082 6.882 1.00 0.00 H new ATOM 456 N ASN A 28 6.900 -1.000 9.139 1.00 0.00 N ATOM 457 CA ASN A 28 7.823 -1.821 9.907 1.00 0.00 C ATOM 458 C ASN A 28 7.397 -3.281 9.822 1.00 0.00 C ATOM 459 O ASN A 28 8.220 -4.185 9.859 1.00 0.00 O ATOM 460 CB ASN A 28 7.897 -1.336 11.362 1.00 0.00 C ATOM 461 CG ASN A 28 6.812 -1.918 12.258 1.00 0.00 C ATOM 462 OD1 ASN A 28 6.573 -3.123 12.277 1.00 0.00 O ATOM 463 ND2 ASN A 28 6.152 -1.056 13.020 1.00 0.00 N ATOM 0 H ASN A 28 6.312 -0.381 9.696 1.00 0.00 H new ATOM 0 HA ASN A 28 8.824 -1.731 9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.873 -1.595 11.773 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.824 -0.249 11.377 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.419 -1.387 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.377 -0.062 12.978 1.00 0.00 H new ATOM 470 N CYS A 29 6.086 -3.494 9.701 1.00 0.00 N ATOM 471 CA CYS A 29 5.534 -4.825 9.592 1.00 0.00 C ATOM 472 C CYS A 29 5.991 -5.479 8.291 1.00 0.00 C ATOM 473 O CYS A 29 6.280 -6.670 8.251 1.00 0.00 O ATOM 474 CB CYS A 29 4.017 -4.750 9.635 1.00 0.00 C ATOM 475 SG CYS A 29 3.348 -4.011 11.162 1.00 0.00 S ATOM 0 H CYS A 29 5.390 -2.749 9.677 1.00 0.00 H new ATOM 0 HA CYS A 29 5.888 -5.430 10.427 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.669 -4.169 8.781 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.611 -5.756 9.523 1.00 0.00 H new ATOM 480 N VAL A 30 6.066 -4.675 7.225 1.00 0.00 N ATOM 481 CA VAL A 30 6.496 -5.172 5.924 1.00 0.00 C ATOM 482 C VAL A 30 7.876 -5.818 6.025 1.00 0.00 C ATOM 483 O VAL A 30 8.233 -6.669 5.210 1.00 0.00 O ATOM 484 CB VAL A 30 6.526 -4.049 4.872 1.00 0.00 C ATOM 485 CG1 VAL A 30 6.946 -4.595 3.512 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.168 -3.370 4.777 1.00 0.00 C ATOM 0 H VAL A 30 5.834 -3.682 7.242 1.00 0.00 H new ATOM 0 HA VAL A 30 5.770 -5.920 5.606 1.00 0.00 H new ATOM 0 HB VAL A 30 7.261 -3.308 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.961 -3.785 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.941 -5.033 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.237 -5.358 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.208 -2.579 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.414 -4.103 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.907 -2.941 5.744 1.00 0.00 H new ATOM 496 N MET A 31 8.652 -5.403 7.030 1.00 0.00 N ATOM 497 CA MET A 31 9.984 -5.942 7.234 1.00 0.00 C ATOM 498 C MET A 31 9.927 -7.365 7.774 1.00 0.00 C ATOM 499 O MET A 31 10.931 -8.081 7.760 1.00 0.00 O ATOM 500 CB MET A 31 10.756 -5.038 8.196 1.00 0.00 C ATOM 501 CG MET A 31 12.080 -5.615 8.641 1.00 0.00 C ATOM 502 SD MET A 31 13.400 -4.385 8.700 1.00 0.00 S ATOM 503 CE MET A 31 13.574 -3.997 6.954 1.00 0.00 C ATOM 0 H MET A 31 8.374 -4.696 7.710 1.00 0.00 H new ATOM 0 HA MET A 31 10.497 -5.974 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.932 -4.076 7.714 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.140 -4.846 9.074 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.962 -6.061 9.628 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.368 -6.417 7.961 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.581 -3.626 6.762 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.399 -4.896 6.362 1.00 0.00 H new ATOM 0 HE3 MET A 31 12.847 -3.233 6.677 1.00 0.00 H new ATOM 513 N GLU A 32 8.745 -7.786 8.245 1.00 0.00 N ATOM 514 CA GLU A 32 8.534 -9.134 8.787 1.00 0.00 C ATOM 515 C GLU A 32 9.009 -9.220 10.245 1.00 0.00 C ATOM 516 O GLU A 32 9.659 -10.182 10.648 1.00 0.00 O ATOM 517 CB GLU A 32 9.204 -10.204 7.898 1.00 0.00 C ATOM 518 CG GLU A 32 10.635 -10.573 8.284 1.00 0.00 C ATOM 519 CD GLU A 32 10.742 -11.955 8.890 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.131 -12.891 8.336 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.441 -12.107 9.912 1.00 0.00 O ATOM 0 H GLU A 32 7.909 -7.201 8.261 1.00 0.00 H new ATOM 0 HA GLU A 32 7.463 -9.338 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.594 -11.107 7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.204 -9.848 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.270 -10.519 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.015 -9.839 8.995 1.00 0.00 H new ATOM 528 N ARG A 33 8.660 -8.217 11.040 1.00 0.00 N ATOM 529 CA ARG A 33 9.033 -8.183 12.454 1.00 0.00 C ATOM 530 C ARG A 33 8.293 -9.267 13.230 1.00 0.00 C ATOM 531 O ARG A 33 8.820 -9.808 14.205 1.00 0.00 O ATOM 532 CB ARG A 33 8.743 -6.808 13.047 1.00 0.00 C ATOM 533 CG ARG A 33 9.679 -5.718 12.556 1.00 0.00 C ATOM 534 CD ARG A 33 10.787 -5.433 13.563 1.00 0.00 C ATOM 535 NE ARG A 33 11.877 -4.669 12.965 1.00 0.00 N ATOM 536 CZ ARG A 33 12.829 -5.204 12.202 1.00 0.00 C ATOM 537 NH1 ARG A 33 12.821 -6.507 11.935 1.00 0.00 N ATOM 538 NH2 ARG A 33 13.788 -4.438 11.701 1.00 0.00 N ATOM 0 H ARG A 33 8.117 -7.411 10.731 1.00 0.00 H new ATOM 0 HA ARG A 33 10.103 -8.375 12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.717 -6.528 12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.811 -6.870 14.133 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.119 -6.017 11.605 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.111 -4.806 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.377 -4.881 14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.174 -6.374 13.954 1.00 0.00 H new ATOM 0 HE ARG A 33 11.912 -3.665 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.084 -7.101 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.552 -6.912 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.798 -3.438 11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.516 -4.849 11.117 1.00 0.00 H new ATOM 552 N GLY A 34 7.073 -9.560 12.806 1.00 0.00 N ATOM 553 CA GLY A 34 6.275 -10.570 13.476 1.00 0.00 C ATOM 554 C GLY A 34 4.948 -10.034 13.975 1.00 0.00 C ATOM 555 O GLY A 34 4.825 -8.850 14.283 1.00 0.00 O ATOM 0 H GLY A 34 6.619 -9.116 12.008 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.093 -11.397 12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.839 -10.973 14.318 1.00 0.00 H new ATOM 559 N LYS A 35 3.954 -10.916 14.061 1.00 0.00 N ATOM 560 CA LYS A 35 2.619 -10.527 14.525 1.00 0.00 C ATOM 561 C LYS A 35 2.010 -9.487 13.598 1.00 0.00 C ATOM 562 O LYS A 35 1.194 -9.808 12.731 1.00 0.00 O ATOM 563 CB LYS A 35 2.692 -9.995 15.958 1.00 0.00 C ATOM 564 CG LYS A 35 2.318 -11.026 17.011 1.00 0.00 C ATOM 565 CD LYS A 35 2.858 -10.648 18.378 1.00 0.00 C ATOM 566 CE LYS A 35 4.267 -11.185 18.588 1.00 0.00 C ATOM 567 NZ LYS A 35 4.595 -11.328 20.034 1.00 0.00 N ATOM 0 H LYS A 35 4.045 -11.902 13.817 1.00 0.00 H new ATOM 0 HA LYS A 35 1.977 -11.408 14.513 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.704 -9.639 16.153 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.028 -9.135 16.052 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.233 -11.119 17.061 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.709 -12.001 16.721 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.862 -9.563 18.482 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.199 -11.040 19.152 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.364 -12.153 18.096 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.986 -10.514 18.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.562 -11.696 20.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.527 -10.400 20.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.925 -11.988 20.478 1.00 0.00 H new ATOM 581 N CYS A 36 2.408 -8.232 13.774 1.00 0.00 N ATOM 582 CA CYS A 36 1.898 -7.159 12.934 1.00 0.00 C ATOM 583 C CYS A 36 2.262 -7.406 11.471 1.00 0.00 C ATOM 584 O CYS A 36 1.607 -6.900 10.561 1.00 0.00 O ATOM 585 CB CYS A 36 2.432 -5.802 13.415 1.00 0.00 C ATOM 586 SG CYS A 36 3.986 -5.266 12.631 1.00 0.00 S ATOM 0 H CYS A 36 3.077 -7.936 14.485 1.00 0.00 H new ATOM 0 HA CYS A 36 0.811 -7.141 13.012 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.670 -5.044 13.234 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.584 -5.850 14.493 1.00 0.00 H new ATOM 591 N SER A 37 3.309 -8.210 11.256 1.00 0.00 N ATOM 592 CA SER A 37 3.763 -8.545 9.916 1.00 0.00 C ATOM 593 C SER A 37 2.733 -9.435 9.205 1.00 0.00 C ATOM 594 O SER A 37 2.155 -9.041 8.198 1.00 0.00 O ATOM 595 CB SER A 37 5.127 -9.234 9.966 1.00 0.00 C ATOM 596 OG SER A 37 5.337 -10.055 8.830 1.00 0.00 O ATOM 0 H SER A 37 3.856 -8.639 12.002 1.00 0.00 H new ATOM 0 HA SER A 37 3.868 -7.621 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.914 -8.482 10.023 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.198 -9.838 10.871 1.00 0.00 H new ATOM 0 HG SER A 37 5.918 -10.806 9.072 1.00 0.00 H new ATOM 602 N PRO A 38 2.504 -10.657 9.725 1.00 0.00 N ATOM 603 CA PRO A 38 1.541 -11.580 9.137 1.00 0.00 C ATOM 604 C PRO A 38 0.172 -10.935 8.959 1.00 0.00 C ATOM 605 O PRO A 38 -0.468 -11.204 7.984 1.00 0.00 O ATOM 606 CB PRO A 38 1.466 -12.747 10.139 1.00 0.00 C ATOM 607 CG PRO A 38 2.157 -12.268 11.372 1.00 0.00 C ATOM 608 CD PRO A 38 3.139 -11.224 10.926 1.00 0.00 C ATOM 0 HA PRO A 38 1.846 -11.898 8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.431 -13.016 10.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.951 -13.637 9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.442 -11.851 12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.665 -13.089 11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.298 -10.466 11.693 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.113 -11.658 10.700 1.00 0.00 H new ATOM 616 N GLU A 39 -0.143 -10.066 9.897 1.00 0.00 N ATOM 617 CA GLU A 39 -1.389 -9.367 9.836 1.00 0.00 C ATOM 618 C GLU A 39 -1.518 -8.594 8.525 1.00 0.00 C ATOM 619 O GLU A 39 -2.565 -8.616 7.877 1.00 0.00 O ATOM 620 CB GLU A 39 -1.533 -8.409 11.025 1.00 0.00 C ATOM 621 CG GLU A 39 -1.664 -9.118 12.361 1.00 0.00 C ATOM 622 CD GLU A 39 -3.043 -9.707 12.585 1.00 0.00 C ATOM 623 OE1 GLU A 39 -3.708 -10.056 11.580 1.00 0.00 O ATOM 624 OE2 GLU A 39 -3.462 -9.813 13.750 1.00 0.00 O ATOM 0 H GLU A 39 0.445 -9.835 10.698 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.188 -10.107 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.666 -7.749 11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.409 -7.779 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.921 -9.914 12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.440 -8.415 13.163 1.00 0.00 H new ATOM 631 N GLY A 40 -0.463 -7.921 8.135 1.00 0.00 N ATOM 632 CA GLY A 40 -0.468 -7.159 6.900 1.00 0.00 C ATOM 633 C GLY A 40 -0.079 -8.007 5.703 1.00 0.00 C ATOM 634 O GLY A 40 -0.378 -7.667 4.556 1.00 0.00 O ATOM 0 H GLY A 40 0.415 -7.883 8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.461 -6.738 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.223 -6.321 6.989 1.00 0.00 H new ATOM 638 N LYS A 41 0.568 -9.104 5.977 1.00 0.00 N ATOM 639 CA LYS A 41 1.022 -10.013 4.941 1.00 0.00 C ATOM 640 C LYS A 41 -0.047 -10.393 3.987 1.00 0.00 C ATOM 641 O LYS A 41 0.126 -10.539 2.789 1.00 0.00 O ATOM 642 CB LYS A 41 1.638 -11.268 5.558 1.00 0.00 C ATOM 643 CG LYS A 41 3.106 -11.118 5.914 1.00 0.00 C ATOM 644 CD LYS A 41 4.002 -11.648 4.800 1.00 0.00 C ATOM 645 CE LYS A 41 5.171 -12.442 5.362 1.00 0.00 C ATOM 646 NZ LYS A 41 5.565 -13.564 4.459 1.00 0.00 N ATOM 0 H LYS A 41 0.800 -9.402 6.925 1.00 0.00 H new ATOM 0 HA LYS A 41 1.778 -9.472 4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.081 -11.531 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.526 -12.097 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.333 -10.068 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.315 -11.656 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.418 -12.280 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.378 -10.815 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.023 -11.779 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.903 -12.840 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.365 -14.081 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.760 -14.211 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.845 -13.182 3.533 1.00 0.00 H new ATOM 660 N GLU A 42 -1.222 -10.556 4.522 1.00 0.00 N ATOM 661 CA GLU A 42 -2.362 -10.930 3.690 1.00 0.00 C ATOM 662 C GLU A 42 -2.654 -9.836 2.672 1.00 0.00 C ATOM 663 O GLU A 42 -2.996 -10.118 1.526 1.00 0.00 O ATOM 664 CB GLU A 42 -3.613 -11.205 4.540 1.00 0.00 C ATOM 665 CG GLU A 42 -3.434 -10.980 6.031 1.00 0.00 C ATOM 666 CD GLU A 42 -4.699 -11.265 6.823 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.114 -12.438 6.874 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.268 -10.312 7.391 1.00 0.00 O ATOM 0 H GLU A 42 -1.429 -10.441 5.514 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.102 -11.849 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.423 -10.567 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.925 -12.237 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.630 -11.618 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.126 -9.949 6.204 1.00 0.00 H new ATOM 675 N LEU A 43 -2.504 -8.591 3.093 1.00 0.00 N ATOM 676 CA LEU A 43 -2.740 -7.457 2.212 1.00 0.00 C ATOM 677 C LEU A 43 -1.668 -7.389 1.133 1.00 0.00 C ATOM 678 O LEU A 43 -1.976 -7.257 -0.019 1.00 0.00 O ATOM 679 CB LEU A 43 -2.772 -6.154 3.006 1.00 0.00 C ATOM 680 CG LEU A 43 -3.755 -6.136 4.175 1.00 0.00 C ATOM 681 CD1 LEU A 43 -3.120 -5.508 5.403 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.021 -5.388 3.791 1.00 0.00 C ATOM 0 H LEU A 43 -2.220 -8.339 4.040 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.710 -7.594 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.771 -5.954 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.022 -5.338 2.328 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.018 -7.166 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.838 -5.506 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.241 -6.083 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.825 -4.483 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.711 -5.384 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.770 -4.362 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.491 -5.881 2.940 1.00 0.00 H new ATOM 694 N LYS A 44 -0.408 -7.490 1.548 1.00 0.00 N ATOM 695 CA LYS A 44 0.615 -7.446 0.592 1.00 0.00 C ATOM 696 C LYS A 44 0.638 -8.726 -0.193 1.00 0.00 C ATOM 697 O LYS A 44 1.090 -8.729 -1.300 1.00 0.00 O ATOM 698 CB LYS A 44 1.944 -7.237 1.315 1.00 0.00 C ATOM 699 CG LYS A 44 2.153 -8.173 2.493 1.00 0.00 C ATOM 700 CD LYS A 44 3.610 -8.206 2.930 1.00 0.00 C ATOM 701 CE LYS A 44 3.836 -7.374 4.176 1.00 0.00 C ATOM 702 NZ LYS A 44 4.833 -8.003 5.092 1.00 0.00 N ATOM 0 H LYS A 44 -0.109 -7.599 2.517 1.00 0.00 H new ATOM 0 HA LYS A 44 0.444 -6.625 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.759 -7.374 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.998 -6.207 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.529 -7.853 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.831 -9.178 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.910 -9.236 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.241 -7.833 2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.181 -6.380 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.890 -7.244 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.653 -7.691 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.749 -9.038 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.792 -7.719 4.809 1.00 0.00 H new ATOM 716 N GLU A 45 0.137 -9.805 0.355 1.00 0.00 N ATOM 717 CA GLU A 45 0.077 -11.073 -0.307 1.00 0.00 C ATOM 718 C GLU A 45 -1.089 -11.090 -1.175 1.00 0.00 C ATOM 719 O GLU A 45 -1.160 -11.847 -2.126 1.00 0.00 O ATOM 720 CB GLU A 45 0.026 -12.237 0.653 1.00 0.00 C ATOM 721 CG GLU A 45 1.333 -12.505 1.341 1.00 0.00 C ATOM 722 CD GLU A 45 1.183 -13.384 2.571 1.00 0.00 C ATOM 723 OE1 GLU A 45 0.235 -13.155 3.352 1.00 0.00 O ATOM 724 OE2 GLU A 45 2.010 -14.305 2.748 1.00 0.00 O ATOM 0 H GLU A 45 -0.249 -9.820 1.299 1.00 0.00 H new ATOM 0 HA GLU A 45 0.993 -11.192 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.738 -12.044 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.280 -13.132 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.016 -12.984 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.787 -11.557 1.631 1.00 0.00 H new ATOM 731 N HIS A 46 -2.054 -10.246 -0.840 1.00 0.00 N ATOM 732 CA HIS A 46 -3.290 -10.141 -1.586 1.00 0.00 C ATOM 733 C HIS A 46 -3.083 -9.317 -2.841 1.00 0.00 C ATOM 734 O HIS A 46 -3.602 -9.671 -3.897 1.00 0.00 O ATOM 735 CB HIS A 46 -4.393 -9.518 -0.748 1.00 0.00 C ATOM 736 CG HIS A 46 -5.198 -10.523 -0.014 1.00 0.00 C ATOM 737 ND1 HIS A 46 -5.646 -10.316 1.246 1.00 0.00 N ATOM 738 CD2 HIS A 46 -5.648 -11.751 -0.371 1.00 0.00 C ATOM 739 CE1 HIS A 46 -6.335 -11.369 1.650 1.00 0.00 C ATOM 740 NE2 HIS A 46 -6.352 -12.253 0.659 1.00 0.00 N ATOM 0 H HIS A 46 -1.997 -9.615 -0.041 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.593 -11.152 -1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.951 -8.822 -0.034 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.050 -8.937 -1.395 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.472 -12.241 -1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.802 -11.489 2.616 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.820 -13.159 0.676 1.00 0.00 H new ATOM 749 N LEU A 47 -2.326 -8.215 -2.743 1.00 0.00 N ATOM 750 CA LEU A 47 -2.084 -7.380 -3.914 1.00 0.00 C ATOM 751 C LEU A 47 -1.137 -6.214 -3.623 1.00 0.00 C ATOM 752 O LEU A 47 -1.565 -5.148 -3.176 1.00 0.00 O ATOM 753 CB LEU A 47 -3.411 -6.834 -4.456 1.00 0.00 C ATOM 754 CG LEU A 47 -4.197 -5.947 -3.487 1.00 0.00 C ATOM 755 CD1 LEU A 47 -4.670 -4.680 -4.179 1.00 0.00 C ATOM 756 CD2 LEU A 47 -5.383 -6.714 -2.903 1.00 0.00 C ATOM 0 H LEU A 47 -1.882 -7.891 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.604 -8.015 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.207 -6.263 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.041 -7.676 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.534 -5.661 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.226 -4.065 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.808 -4.122 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.315 -4.943 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.931 -6.069 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.044 -7.030 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.021 -7.591 -2.366 1.00 0.00 H new ATOM 768 N GLN A 48 0.098 -6.409 -3.915 1.00 0.00 N ATOM 769 CA GLN A 48 1.054 -5.349 -3.714 1.00 0.00 C ATOM 770 C GLN A 48 0.685 -4.151 -4.582 1.00 0.00 C ATOM 771 O GLN A 48 0.655 -3.001 -4.132 1.00 0.00 O ATOM 772 CB GLN A 48 2.455 -5.841 -4.069 1.00 0.00 C ATOM 773 CG GLN A 48 3.494 -5.554 -2.998 1.00 0.00 C ATOM 774 CD GLN A 48 3.251 -6.362 -1.739 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.351 -6.045 -0.965 1.00 0.00 O ATOM 776 NE2 GLN A 48 4.042 -7.403 -1.544 1.00 0.00 N ATOM 0 H GLN A 48 0.480 -7.277 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 48 1.040 -5.047 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.418 -6.916 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.769 -5.373 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.487 -5.779 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.480 -4.492 -2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.774 -7.621 -2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.920 -7.988 -0.718 1.00 0.00 H new ATOM 785 N ASP A 49 0.414 -4.455 -5.834 1.00 0.00 N ATOM 786 CA ASP A 49 0.058 -3.483 -6.841 1.00 0.00 C ATOM 787 C ASP A 49 -0.112 -4.224 -8.146 1.00 0.00 C ATOM 788 O ASP A 49 0.207 -3.749 -9.224 1.00 0.00 O ATOM 789 CB ASP A 49 1.081 -2.397 -7.002 1.00 0.00 C ATOM 790 CG ASP A 49 0.559 -1.157 -7.681 1.00 0.00 C ATOM 791 OD1 ASP A 49 -0.601 -0.936 -7.632 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.359 -0.405 -8.272 1.00 0.00 O ATOM 0 H ASP A 49 0.436 -5.412 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.862 -2.987 -6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.465 -2.126 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.922 -2.786 -7.576 1.00 0.00 H new ATOM 797 N ALA A 50 -0.696 -5.418 -8.018 1.00 0.00 N ATOM 798 CA ALA A 50 -0.958 -6.315 -9.127 1.00 0.00 C ATOM 799 C ALA A 50 -0.989 -7.764 -8.646 1.00 0.00 C ATOM 800 O ALA A 50 -1.437 -8.654 -9.371 1.00 0.00 O ATOM 801 CB ALA A 50 0.053 -6.166 -10.229 1.00 0.00 C ATOM 0 H ALA A 50 -1.003 -5.788 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.933 -6.044 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.185 -6.858 -11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.030 -5.144 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.048 -6.388 -9.843 1.00 0.00 H new ATOM 807 N ILE A 51 -0.532 -8.014 -7.407 1.00 0.00 N ATOM 808 CA ILE A 51 -0.520 -9.360 -6.834 1.00 0.00 C ATOM 809 C ILE A 51 0.587 -10.176 -7.357 1.00 0.00 C ATOM 810 O ILE A 51 1.518 -10.471 -6.610 1.00 0.00 O ATOM 811 CB ILE A 51 -1.820 -10.127 -7.129 1.00 0.00 C ATOM 812 CG1 ILE A 51 -3.043 -9.246 -6.848 1.00 0.00 C ATOM 813 CG2 ILE A 51 -1.880 -11.398 -6.297 1.00 0.00 C ATOM 814 CD1 ILE A 51 -4.363 -9.973 -6.978 1.00 0.00 C ATOM 0 H ILE A 51 -0.165 -7.294 -6.785 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.404 -9.208 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.829 -10.399 -8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.961 -8.838 -5.840 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.036 -8.400 -7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.805 -11.932 -6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.028 -12.033 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.850 -11.141 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.180 -9.284 -6.764 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.468 -10.357 -7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.393 -10.802 -6.271 1.00 0.00 H new ATOM 940 N GLU A 60 -9.018 -2.510 -10.252 1.00 0.00 N ATOM 941 CA GLU A 60 -10.003 -1.434 -10.355 1.00 0.00 C ATOM 942 C GLU A 60 -10.300 -0.811 -8.995 1.00 0.00 C ATOM 943 O GLU A 60 -9.591 0.056 -8.562 1.00 0.00 O ATOM 944 CB GLU A 60 -11.288 -1.918 -11.032 1.00 0.00 C ATOM 945 CG GLU A 60 -11.560 -3.392 -10.809 1.00 0.00 C ATOM 946 CD GLU A 60 -12.653 -3.929 -11.715 1.00 0.00 C ATOM 947 OE1 GLU A 60 -12.700 -3.519 -12.896 1.00 0.00 O ATOM 948 OE2 GLU A 60 -13.464 -4.747 -11.238 1.00 0.00 O ATOM 0 HA GLU A 60 -9.568 -0.657 -10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.131 -1.338 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.222 -1.725 -12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.643 -3.956 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.845 -3.552 -9.769 1.00 0.00 H new ATOM 955 N ASN A 61 -11.331 -1.311 -8.308 1.00 0.00 N ATOM 956 CA ASN A 61 -11.671 -0.796 -6.990 1.00 0.00 C ATOM 957 C ASN A 61 -10.404 -0.756 -6.137 1.00 0.00 C ATOM 958 O ASN A 61 -10.090 0.216 -5.521 1.00 0.00 O ATOM 959 CB ASN A 61 -12.730 -1.667 -6.327 1.00 0.00 C ATOM 960 CG ASN A 61 -14.002 -0.905 -6.031 1.00 0.00 C ATOM 961 OD1 ASN A 61 -13.983 0.259 -5.839 1.00 0.00 O ATOM 962 ND2 ASN A 61 -15.129 -1.618 -5.993 1.00 0.00 N ATOM 0 H ASN A 61 -11.935 -2.062 -8.642 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.082 0.209 -7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.959 -2.512 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.331 -2.076 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.017 -1.158 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.103 -2.623 -6.165 1.00 0.00 H new ATOM 969 N GLN A 62 -9.670 -1.860 -6.155 1.00 0.00 N ATOM 970 CA GLN A 62 -8.422 -1.954 -5.424 1.00 0.00 C ATOM 971 C GLN A 62 -7.469 -0.852 -5.877 1.00 0.00 C ATOM 972 O GLN A 62 -6.700 -0.314 -5.082 1.00 0.00 O ATOM 973 CB GLN A 62 -7.772 -3.322 -5.631 1.00 0.00 C ATOM 974 CG GLN A 62 -8.758 -4.485 -5.571 1.00 0.00 C ATOM 975 CD GLN A 62 -8.073 -5.836 -5.655 1.00 0.00 C ATOM 976 OE1 GLN A 62 -7.383 -6.245 -4.728 1.00 0.00 O ATOM 977 NE2 GLN A 62 -8.263 -6.529 -6.773 1.00 0.00 N ATOM 0 H GLN A 62 -9.922 -2.703 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.636 -1.832 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.269 -3.333 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.004 -3.468 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.326 -4.427 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.473 -4.393 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.846 -6.146 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.826 -7.443 -6.887 1.00 0.00 H new ATOM 986 N GLU A 63 -7.554 -0.510 -7.151 1.00 0.00 N ATOM 987 CA GLU A 63 -6.713 0.469 -7.715 1.00 0.00 C ATOM 988 C GLU A 63 -7.035 1.789 -7.065 1.00 0.00 C ATOM 989 O GLU A 63 -6.164 2.637 -6.904 1.00 0.00 O ATOM 990 CB GLU A 63 -6.934 0.549 -9.225 1.00 0.00 C ATOM 991 CG GLU A 63 -5.659 0.759 -10.020 1.00 0.00 C ATOM 992 CD GLU A 63 -5.437 2.207 -10.376 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.262 3.028 -9.448 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.434 2.521 -11.585 1.00 0.00 O ATOM 0 H GLU A 63 -8.220 -0.920 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.667 0.213 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.414 -0.370 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.623 1.366 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.809 0.395 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.701 0.165 -10.933 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.302 1.971 -6.692 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.733 3.199 -6.065 1.00 0.00 C ATOM 1003 C LYS A 64 -8.348 3.226 -4.592 1.00 0.00 C ATOM 1004 O LYS A 64 -7.595 4.097 -4.155 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.238 3.379 -6.219 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.646 3.884 -7.595 1.00 0.00 C ATOM 1007 CD LYS A 64 -11.274 2.781 -8.430 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.713 2.522 -8.011 1.00 0.00 C ATOM 1009 NZ LYS A 64 -13.502 1.896 -9.099 1.00 0.00 N ATOM 0 H LYS A 64 -9.040 1.278 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.228 4.025 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.732 2.426 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.592 4.079 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.353 4.707 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.772 4.280 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.244 3.058 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.692 1.866 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.725 1.874 -7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.181 3.462 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.477 1.736 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.513 2.526 -9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.071 0.987 -9.361 1.00 0.00 H new ATOM 1023 N GLY A 65 -8.843 2.258 -3.828 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.506 2.203 -2.415 1.00 0.00 C ATOM 1025 C GLY A 65 -7.010 2.150 -2.201 1.00 0.00 C ATOM 1026 O GLY A 65 -6.508 2.594 -1.178 1.00 0.00 O ATOM 0 H GLY A 65 -9.464 1.518 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.916 3.077 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.970 1.326 -1.964 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.299 1.624 -3.189 1.00 0.00 N ATOM 1031 CA ALA A 66 -4.849 1.539 -3.109 1.00 0.00 C ATOM 1032 C ALA A 66 -4.215 2.875 -3.452 1.00 0.00 C ATOM 1033 O ALA A 66 -3.602 3.515 -2.594 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.325 0.454 -4.024 1.00 0.00 C ATOM 0 H ALA A 66 -6.700 1.252 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.580 1.283 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.239 0.408 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.750 -0.506 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.608 0.677 -5.053 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.383 3.318 -4.700 1.00 0.00 N ATOM 1041 CA TYR A 67 -3.816 4.600 -5.121 1.00 0.00 C ATOM 1042 C TYR A 67 -4.190 5.682 -4.119 1.00 0.00 C ATOM 1043 O TYR A 67 -3.353 6.491 -3.727 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.289 4.974 -6.521 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.276 5.801 -7.302 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.797 7.003 -6.801 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -2.812 5.375 -8.537 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.882 7.758 -7.514 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -1.895 6.120 -9.256 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.437 7.311 -8.742 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.523 8.061 -9.453 1.00 0.00 O ATOM 0 H TYR A 67 -4.898 2.818 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.730 4.507 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.509 4.063 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.221 5.533 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.143 7.355 -5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.174 4.443 -8.946 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.518 8.692 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.541 5.769 -10.214 1.00 0.00 H new ATOM 0 HH TYR A 67 0.269 7.516 -9.644 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.439 5.672 -3.670 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.884 6.632 -2.680 1.00 0.00 C ATOM 1063 C ARG A 68 -4.970 6.550 -1.463 1.00 0.00 C ATOM 1064 O ARG A 68 -4.509 7.571 -0.932 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.335 6.360 -2.267 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.023 7.560 -1.645 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.449 7.234 -1.249 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.564 6.900 0.092 1.00 0.00 N ATOM 1069 CZ ARG A 68 -10.706 6.892 0.762 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -11.842 7.198 0.162 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -10.717 6.574 2.053 1.00 0.00 N ATOM 0 H ARG A 68 -6.154 5.012 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.839 7.632 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.900 6.041 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.353 5.533 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.465 7.887 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.020 8.390 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.087 8.091 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.812 6.407 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.714 6.644 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.846 7.444 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.716 7.188 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.846 6.336 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.597 6.568 2.569 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.675 5.320 -1.058 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.791 5.097 0.000 1.00 0.00 C ATOM 1087 C VAL A 69 -2.355 5.447 -0.324 1.00 0.00 C ATOM 1088 O VAL A 69 -1.531 5.720 0.484 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.866 3.647 0.491 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.798 3.363 1.534 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.252 3.339 1.033 1.00 0.00 C ATOM 0 H VAL A 69 -5.059 4.472 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.116 5.772 0.792 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.677 2.992 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.877 2.327 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.812 3.532 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.938 4.026 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.287 2.305 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.474 4.006 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.991 3.484 0.245 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.068 5.430 -1.604 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.734 5.756 -2.071 1.00 0.00 C ATOM 1103 C ILE A 70 -0.505 7.262 -2.027 1.00 0.00 C ATOM 1104 O ILE A 70 0.489 7.724 -1.673 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.451 5.205 -3.490 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.939 4.813 -3.601 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.798 6.205 -4.590 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.183 3.321 -3.504 1.00 0.00 C ATOM 0 H ILE A 70 -2.734 5.196 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.032 5.268 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.095 4.337 -3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.329 5.170 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.508 5.313 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.579 5.766 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.858 6.454 -4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.205 7.110 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.250 3.120 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.828 2.956 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.646 2.812 -4.305 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.543 8.015 -2.385 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.467 9.459 -2.373 1.00 0.00 C ATOM 1122 C GLU A 71 -1.489 9.987 -0.945 1.00 0.00 C ATOM 1123 O GLU A 71 -0.860 11.001 -0.638 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.636 10.059 -3.163 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.995 9.596 -2.684 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.136 10.349 -3.326 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.487 11.444 -2.834 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.682 9.851 -4.336 1.00 0.00 O ATOM 0 H GLU A 71 -2.443 7.641 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.528 9.754 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.588 11.146 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.523 9.799 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.105 8.532 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.052 9.714 -1.602 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.199 9.275 -0.112 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.285 9.680 1.238 1.00 0.00 C ATOM 1137 C HIS A 72 -0.990 9.359 1.969 1.00 0.00 C ATOM 1138 O HIS A 72 -0.442 10.203 2.680 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.471 8.991 1.923 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.187 9.881 2.887 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.513 10.253 2.725 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.775 10.463 4.038 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.867 11.026 3.731 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.843 11.172 4.542 1.00 0.00 N ATOM 0 H HIS A 72 -2.713 8.427 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.443 10.758 1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.173 8.648 1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.115 8.106 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.792 10.386 4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.842 11.469 3.868 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.840 11.720 5.402 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.498 8.138 1.790 1.00 0.00 N ATOM 1154 CA LEU A 73 0.658 7.736 2.435 1.00 0.00 C ATOM 1155 C LEU A 73 1.838 8.462 1.803 1.00 0.00 C ATOM 1156 O LEU A 73 2.809 8.821 2.489 1.00 0.00 O ATOM 1157 CB LEU A 73 0.848 6.218 2.317 1.00 0.00 C ATOM 1158 CG LEU A 73 0.219 5.401 3.447 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.178 5.741 3.600 1.00 0.00 C ATOM 1160 CD2 LEU A 73 0.396 3.913 3.188 1.00 0.00 C ATOM 0 H LEU A 73 -0.919 7.431 1.187 1.00 0.00 H new ATOM 0 HA LEU A 73 0.588 7.982 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.425 5.886 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.916 6.002 2.283 1.00 0.00 H new ATOM 0 HG LEU A 73 0.728 5.644 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.610 5.151 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.271 6.801 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.708 5.528 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.057 3.346 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.087 3.647 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.459 3.678 3.130 1.00 0.00 H new ATOM 1172 N ILE A 74 1.749 8.701 0.494 1.00 0.00 N ATOM 1173 CA ILE A 74 2.799 9.401 -0.147 1.00 0.00 C ATOM 1174 C ILE A 74 3.128 10.712 0.481 1.00 0.00 C ATOM 1175 O ILE A 74 4.303 11.011 0.736 1.00 0.00 O ATOM 1176 CB ILE A 74 2.393 9.673 -1.617 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.944 8.574 -2.532 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.885 11.039 -2.084 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.089 8.306 -3.754 1.00 0.00 C ATOM 0 H ILE A 74 0.974 8.419 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 74 3.683 8.768 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 74 1.304 9.670 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.946 8.854 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.040 7.652 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.584 11.200 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.451 11.816 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.972 11.078 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.545 7.516 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.093 7.994 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.013 9.215 -4.351 1.00 0.00 H new ATOM 1191 N LYS A 75 2.101 11.474 0.816 1.00 0.00 N ATOM 1192 CA LYS A 75 2.272 12.730 1.508 1.00 0.00 C ATOM 1193 C LYS A 75 2.546 12.489 2.986 1.00 0.00 C ATOM 1194 O LYS A 75 3.275 13.252 3.620 1.00 0.00 O ATOM 1195 CB LYS A 75 1.022 13.584 1.336 1.00 0.00 C ATOM 1196 CG LYS A 75 0.679 13.869 -0.044 1.00 0.00 C ATOM 1197 CD LYS A 75 0.927 15.326 -0.388 1.00 0.00 C ATOM 1198 CE LYS A 75 2.348 15.544 -0.879 1.00 0.00 C ATOM 1199 NZ LYS A 75 2.924 16.819 -0.381 1.00 0.00 N ATOM 0 H LYS A 75 1.130 11.236 0.615 1.00 0.00 H new ATOM 0 HA LYS A 75 3.126 13.256 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.182 13.077 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.164 14.526 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.267 13.233 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.369 13.626 -0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.222 15.646 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.745 15.945 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.974 14.713 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.358 15.544 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.894 16.926 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.342 17.615 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.940 16.810 0.659 1.00 0.00 H new ATOM 1213 N ASN A 76 1.982 11.416 3.522 1.00 0.00 N ATOM 1214 CA ASN A 76 2.182 11.063 4.929 1.00 0.00 C ATOM 1215 C ASN A 76 3.672 11.080 5.247 1.00 0.00 C ATOM 1216 O ASN A 76 4.094 11.627 6.264 1.00 0.00 O ATOM 1217 CB ASN A 76 1.593 9.684 5.228 1.00 0.00 C ATOM 1218 CG ASN A 76 1.355 9.470 6.706 1.00 0.00 C ATOM 1219 OD1 ASN A 76 0.239 9.627 7.194 1.00 0.00 O ATOM 1220 ND2 ASN A 76 2.407 9.110 7.431 1.00 0.00 N ATOM 0 H ASN A 76 1.381 10.772 3.008 1.00 0.00 H new ATOM 0 HA ASN A 76 1.669 11.793 5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.652 9.569 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.269 8.914 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.306 8.953 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.317 8.991 6.985 1.00 0.00 H new ATOM 1227 N GLU A 77 4.455 10.487 4.350 1.00 0.00 N ATOM 1228 CA GLU A 77 5.905 10.443 4.518 1.00 0.00 C ATOM 1229 C GLU A 77 6.576 9.636 3.416 1.00 0.00 C ATOM 1230 O GLU A 77 7.614 9.011 3.632 1.00 0.00 O ATOM 1231 CB GLU A 77 6.283 9.881 5.892 1.00 0.00 C ATOM 1232 CG GLU A 77 6.674 10.946 6.905 1.00 0.00 C ATOM 1233 CD GLU A 77 8.169 11.042 7.102 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.720 10.226 7.882 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.797 11.937 6.492 1.00 0.00 O ATOM 0 H GLU A 77 4.112 10.032 3.504 1.00 0.00 H new ATOM 0 HA GLU A 77 6.266 11.469 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.441 9.311 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.112 9.184 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.292 11.912 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.199 10.724 7.861 1.00 0.00 H new ATOM 1242 N ILE A 78 5.968 9.680 2.236 1.00 0.00 N ATOM 1243 CA ILE A 78 6.459 8.986 1.048 1.00 0.00 C ATOM 1244 C ILE A 78 7.312 7.772 1.400 1.00 0.00 C ATOM 1245 O ILE A 78 8.306 7.478 0.739 1.00 0.00 O ATOM 1246 CB ILE A 78 7.234 9.929 0.143 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.723 9.189 -1.048 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.395 10.586 0.851 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.277 9.829 -2.338 1.00 0.00 C ATOM 0 H ILE A 78 5.109 10.205 2.074 1.00 0.00 H new ATOM 0 HA ILE A 78 5.581 8.627 0.511 1.00 0.00 H new ATOM 0 HB ILE A 78 6.552 10.723 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.812 9.144 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.361 8.162 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.915 11.249 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.025 11.163 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.085 9.820 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.659 9.253 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.188 9.850 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.662 10.848 -2.391 1.00 0.00 H new ATOM 1261 N GLU A 79 6.891 7.057 2.428 1.00 0.00 N ATOM 1262 CA GLU A 79 7.588 5.860 2.835 1.00 0.00 C ATOM 1263 C GLU A 79 7.097 4.688 2.001 1.00 0.00 C ATOM 1264 O GLU A 79 7.656 3.594 2.034 1.00 0.00 O ATOM 1265 CB GLU A 79 7.376 5.580 4.327 1.00 0.00 C ATOM 1266 CG GLU A 79 5.923 5.303 4.690 1.00 0.00 C ATOM 1267 CD GLU A 79 5.692 5.301 6.187 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.568 4.792 6.927 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.643 5.800 6.626 1.00 0.00 O ATOM 0 H GLU A 79 6.073 7.287 2.992 1.00 0.00 H new ATOM 0 HA GLU A 79 8.657 6.001 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.985 4.724 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.730 6.435 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.286 6.057 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.626 4.339 4.278 1.00 0.00 H new ATOM 1276 N ILE A 80 6.037 4.952 1.233 1.00 0.00 N ATOM 1277 CA ILE A 80 5.437 3.960 0.366 1.00 0.00 C ATOM 1278 C ILE A 80 6.477 3.300 -0.447 1.00 0.00 C ATOM 1279 O ILE A 80 6.674 2.095 -0.383 1.00 0.00 O ATOM 1280 CB ILE A 80 4.352 4.596 -0.436 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.275 5.229 0.358 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.742 3.569 -1.387 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.079 5.699 -0.345 1.00 0.00 C ATOM 0 H ILE A 80 5.578 5.862 1.202 1.00 0.00 H new ATOM 0 HA ILE A 80 4.970 3.167 0.950 1.00 0.00 H new ATOM 0 HB ILE A 80 4.835 5.407 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.956 4.513 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.707 6.080 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.950 4.039 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.513 3.192 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.327 2.742 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.384 6.137 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.362 6.450 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.599 4.860 -0.848 1.00 0.00 H new ATOM 1295 N TRP A 81 7.136 4.102 -1.278 1.00 0.00 N ATOM 1296 CA TRP A 81 8.148 3.580 -2.189 1.00 0.00 C ATOM 1297 C TRP A 81 9.102 2.632 -1.470 1.00 0.00 C ATOM 1298 O TRP A 81 9.578 1.658 -2.050 1.00 0.00 O ATOM 1299 CB TRP A 81 8.924 4.727 -2.845 1.00 0.00 C ATOM 1300 CG TRP A 81 8.036 5.792 -3.424 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.403 7.057 -3.769 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.636 5.681 -3.720 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.313 7.745 -4.264 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.220 6.925 -4.238 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.687 4.665 -3.595 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.908 7.164 -4.632 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.390 4.906 -3.991 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.012 6.143 -4.493 1.00 0.00 C ATOM 0 H TRP A 81 6.989 5.109 -1.339 1.00 0.00 H new ATOM 0 HA TRP A 81 7.637 3.014 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.586 5.178 -2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.557 4.323 -3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.399 7.462 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.322 8.710 -4.596 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.966 3.702 -3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.609 8.121 -5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.655 4.119 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.983 6.302 -4.781 1.00 0.00 H new ATOM 1319 N ARG A 82 9.367 2.914 -0.200 1.00 0.00 N ATOM 1320 CA ARG A 82 10.262 2.064 0.506 1.00 0.00 C ATOM 1321 C ARG A 82 9.603 0.726 0.801 1.00 0.00 C ATOM 1322 O ARG A 82 10.268 -0.231 0.870 1.00 0.00 O ATOM 1323 CB ARG A 82 10.649 2.773 1.808 1.00 0.00 C ATOM 1324 CG ARG A 82 12.122 3.115 1.905 1.00 0.00 C ATOM 1325 CD ARG A 82 12.604 3.878 0.679 1.00 0.00 C ATOM 1326 NE ARG A 82 13.352 5.086 1.039 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.621 5.077 1.424 1.00 0.00 C ATOM 1328 NH1 ARG A 82 15.301 3.934 1.502 1.00 0.00 N ATOM 1329 NH2 ARG A 82 15.227 6.216 1.735 1.00 0.00 N ATOM 0 H ARG A 82 8.983 3.697 0.329 1.00 0.00 H new ATOM 0 HA ARG A 82 11.150 1.866 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.066 3.690 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.377 2.138 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.299 3.713 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.702 2.199 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.236 3.228 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.747 4.153 0.064 1.00 0.00 H new ATOM 0 HE ARG A 82 12.870 5.983 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.846 3.053 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.277 3.940 1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.717 7.097 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.203 6.210 2.031 1.00 0.00 H new ATOM 1343 N GLU A 83 8.286 0.756 0.994 1.00 0.00 N ATOM 1344 CA GLU A 83 7.517 -0.359 1.292 1.00 0.00 C ATOM 1345 C GLU A 83 7.163 -1.125 0.030 1.00 0.00 C ATOM 1346 O GLU A 83 7.080 -2.354 0.035 1.00 0.00 O ATOM 1347 CB GLU A 83 6.235 0.000 2.025 1.00 0.00 C ATOM 1348 CG GLU A 83 5.979 -0.753 3.290 1.00 0.00 C ATOM 1349 CD GLU A 83 4.522 -0.692 3.713 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.704 -1.430 3.134 1.00 0.00 O ATOM 1351 OE2 GLU A 83 4.201 0.024 4.621 1.00 0.00 O ATOM 0 H GLU A 83 7.741 1.616 0.935 1.00 0.00 H new ATOM 0 HA GLU A 83 8.125 -0.982 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.256 1.065 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.395 -0.163 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.273 -1.794 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.603 -0.345 4.085 1.00 0.00 H new ATOM 1358 N LEU A 84 6.944 -0.387 -0.960 1.00 0.00 N ATOM 1359 CA LEU A 84 6.578 -0.978 -2.239 1.00 0.00 C ATOM 1360 C LEU A 84 7.786 -1.612 -2.904 1.00 0.00 C ATOM 1361 O LEU A 84 7.682 -2.641 -3.569 1.00 0.00 O ATOM 1362 CB LEU A 84 5.943 0.045 -3.144 1.00 0.00 C ATOM 1363 CG LEU A 84 4.487 0.366 -2.805 1.00 0.00 C ATOM 1364 CD1 LEU A 84 3.516 -0.418 -3.585 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.224 0.232 -1.306 1.00 0.00 C ATOM 0 H LEU A 84 7.001 0.631 -0.952 1.00 0.00 H new ATOM 0 HA LEU A 84 5.844 -1.761 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.526 0.965 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.994 -0.314 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 84 4.336 1.407 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.504 -0.138 -3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.655 -0.217 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.669 -1.480 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.180 0.467 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.437 -0.789 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.867 0.923 -0.761 1.00 0.00 H new ATOM 1377 N THR A 85 8.948 -1.001 -2.704 1.00 0.00 N ATOM 1378 CA THR A 85 10.183 -1.525 -3.269 1.00 0.00 C ATOM 1379 C THR A 85 10.681 -2.680 -2.413 1.00 0.00 C ATOM 1380 O THR A 85 11.296 -3.619 -2.921 1.00 0.00 O ATOM 1381 CB THR A 85 11.244 -0.425 -3.356 1.00 0.00 C ATOM 1382 OG1 THR A 85 12.360 -0.876 -4.099 1.00 0.00 O ATOM 1383 CG2 THR A 85 11.746 0.001 -2.001 1.00 0.00 C ATOM 0 H THR A 85 9.060 -0.147 -2.158 1.00 0.00 H new ATOM 0 HA THR A 85 9.989 -1.886 -4.279 1.00 0.00 H new ATOM 0 HB THR A 85 10.761 0.424 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.030 -0.163 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.496 0.783 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.915 0.383 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.191 -0.854 -1.492 1.00 0.00 H new ATOM 1391 N ALA A 86 10.389 -2.612 -1.124 1.00 0.00 N ATOM 1392 CA ALA A 86 10.786 -3.655 -0.214 1.00 0.00 C ATOM 1393 C ALA A 86 9.888 -4.878 -0.362 1.00 0.00 C ATOM 1394 O ALA A 86 10.343 -6.011 -0.249 1.00 0.00 O ATOM 1395 CB ALA A 86 10.727 -3.136 1.158 1.00 0.00 C ATOM 0 H ALA A 86 9.878 -1.842 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 86 11.805 -3.965 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.026 -3.918 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.402 -2.286 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.709 -2.818 1.383 1.00 0.00 H new ATOM 1401 N LYS A 87 8.613 -4.638 -0.660 1.00 0.00 N ATOM 1402 CA LYS A 87 7.659 -5.722 -0.850 1.00 0.00 C ATOM 1403 C LYS A 87 8.098 -6.608 -2.014 1.00 0.00 C ATOM 1404 O LYS A 87 8.299 -7.811 -1.851 1.00 0.00 O ATOM 1405 CB LYS A 87 6.261 -5.153 -1.113 1.00 0.00 C ATOM 1406 CG LYS A 87 5.429 -4.977 0.063 1.00 0.00 C ATOM 1407 CD LYS A 87 4.687 -3.651 0.064 1.00 0.00 C ATOM 1408 CE LYS A 87 3.204 -3.839 0.335 1.00 0.00 C ATOM 1409 NZ LYS A 87 2.645 -2.743 1.158 1.00 0.00 N ATOM 0 H LYS A 87 8.220 -3.704 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 87 7.625 -6.326 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.367 -4.189 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.743 -5.814 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.708 -5.792 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.051 -5.041 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.115 -2.995 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.822 -3.158 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.667 -3.891 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.047 -4.790 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.766 -3.064 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.334 -2.472 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.442 -1.923 0.552 1.00 0.00 H new ATOM 1423 N TYR A 88 8.241 -5.991 -3.190 1.00 0.00 N ATOM 1424 CA TYR A 88 8.650 -6.686 -4.408 1.00 0.00 C ATOM 1425 C TYR A 88 7.446 -7.199 -5.156 1.00 0.00 C ATOM 1426 O TYR A 88 6.974 -8.318 -4.965 1.00 0.00 O ATOM 1427 CB TYR A 88 9.634 -7.833 -4.125 1.00 0.00 C ATOM 1428 CG TYR A 88 10.715 -7.480 -3.125 1.00 0.00 C ATOM 1429 CD1 TYR A 88 11.463 -6.319 -3.263 1.00 0.00 C ATOM 1430 CD2 TYR A 88 10.979 -8.314 -2.042 1.00 0.00 C ATOM 1431 CE1 TYR A 88 12.451 -6.000 -2.348 1.00 0.00 C ATOM 1432 CE2 TYR A 88 11.962 -7.991 -1.123 1.00 0.00 C ATOM 1433 CZ TYR A 88 12.694 -6.833 -1.278 1.00 0.00 C ATOM 1434 OH TYR A 88 13.681 -6.517 -0.380 1.00 0.00 O ATOM 0 H TYR A 88 8.075 -4.993 -3.322 1.00 0.00 H new ATOM 0 HA TYR A 88 9.173 -5.959 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.077 -8.694 -3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.103 -8.136 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.272 -5.657 -4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.410 -9.224 -1.918 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.032 -5.098 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.155 -8.645 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 88 13.723 -7.206 0.315 1.00 0.00 H new ATOM 1444 N ASP A 89 6.965 -6.331 -6.020 1.00 0.00 N ATOM 1445 CA ASP A 89 5.806 -6.594 -6.854 1.00 0.00 C ATOM 1446 C ASP A 89 5.517 -5.334 -7.650 1.00 0.00 C ATOM 1447 O ASP A 89 5.432 -5.369 -8.874 1.00 0.00 O ATOM 1448 CB ASP A 89 4.596 -6.995 -6.003 1.00 0.00 C ATOM 1449 CG ASP A 89 4.254 -8.463 -6.155 1.00 0.00 C ATOM 1450 OD1 ASP A 89 4.157 -8.942 -7.302 1.00 0.00 O ATOM 1451 OD2 ASP A 89 4.081 -9.139 -5.116 1.00 0.00 O ATOM 0 H ASP A 89 7.373 -5.408 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 89 6.008 -7.427 -7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.802 -6.778 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.735 -6.391 -6.290 1.00 0.00 H new ATOM 1456 N PRO A 90 5.380 -4.196 -6.942 1.00 0.00 N ATOM 1457 CA PRO A 90 5.128 -2.904 -7.570 1.00 0.00 C ATOM 1458 C PRO A 90 6.420 -2.227 -8.019 1.00 0.00 C ATOM 1459 O PRO A 90 6.425 -1.419 -8.946 1.00 0.00 O ATOM 1460 CB PRO A 90 4.477 -2.111 -6.450 1.00 0.00 C ATOM 1461 CG PRO A 90 5.118 -2.626 -5.204 1.00 0.00 C ATOM 1462 CD PRO A 90 5.478 -4.067 -5.474 1.00 0.00 C ATOM 0 HA PRO A 90 4.519 -2.986 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.647 -1.041 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.398 -2.262 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.005 -2.044 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.437 -2.548 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.482 -4.300 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.795 -4.750 -4.968 1.00 0.00 H new ATOM 1470 N THR A 91 7.527 -2.562 -7.359 1.00 0.00 N ATOM 1471 CA THR A 91 8.829 -1.974 -7.674 1.00 0.00 C ATOM 1472 C THR A 91 9.235 -2.250 -9.124 1.00 0.00 C ATOM 1473 O THR A 91 10.001 -1.495 -9.716 1.00 0.00 O ATOM 1474 CB THR A 91 9.889 -2.527 -6.718 1.00 0.00 C ATOM 1475 OG1 THR A 91 10.751 -1.494 -6.278 1.00 0.00 O ATOM 1476 CG2 THR A 91 10.761 -3.621 -7.311 1.00 0.00 C ATOM 0 H THR A 91 7.549 -3.241 -6.598 1.00 0.00 H new ATOM 0 HA THR A 91 8.752 -0.894 -7.551 1.00 0.00 H new ATOM 0 HB THR A 91 9.317 -2.960 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.643 -1.863 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.483 -3.954 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.136 -4.462 -7.612 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.290 -3.233 -8.181 1.00 0.00 H new ATOM 1484 N GLY A 92 8.728 -3.341 -9.679 1.00 0.00 N ATOM 1485 CA GLY A 92 9.071 -3.705 -11.040 1.00 0.00 C ATOM 1486 C GLY A 92 8.703 -2.629 -12.045 1.00 0.00 C ATOM 1487 O GLY A 92 9.571 -1.909 -12.536 1.00 0.00 O ATOM 0 H GLY A 92 8.085 -3.981 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.141 -3.902 -11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.561 -4.632 -11.303 1.00 0.00 H new ATOM 1491 N ASN A 93 7.423 -2.538 -12.350 1.00 0.00 N ATOM 1492 CA ASN A 93 6.930 -1.554 -13.311 1.00 0.00 C ATOM 1493 C ASN A 93 5.534 -1.082 -12.907 1.00 0.00 C ATOM 1494 O ASN A 93 4.630 -0.984 -13.736 1.00 0.00 O ATOM 1495 CB ASN A 93 6.886 -2.158 -14.716 1.00 0.00 C ATOM 1496 CG ASN A 93 7.090 -1.115 -15.798 1.00 0.00 C ATOM 1497 OD1 ASN A 93 7.133 0.046 -15.525 1.00 0.00 O ATOM 1498 ND2 ASN A 93 7.215 -1.570 -17.039 1.00 0.00 N ATOM 0 H ASN A 93 6.699 -3.133 -11.948 1.00 0.00 H new ATOM 0 HA ASN A 93 7.609 -0.701 -13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.656 -2.925 -14.804 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.926 -2.652 -14.867 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.355 -0.917 -17.810 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.171 -2.573 -17.221 1.00 0.00 H new ATOM 1505 N TRP A 94 5.376 -0.793 -11.623 1.00 0.00 N ATOM 1506 CA TRP A 94 4.102 -0.347 -11.089 1.00 0.00 C ATOM 1507 C TRP A 94 4.299 0.766 -10.150 1.00 0.00 C ATOM 1508 O TRP A 94 3.513 1.715 -10.159 1.00 0.00 O ATOM 1509 CB TRP A 94 3.419 -1.500 -10.352 1.00 0.00 C ATOM 1510 CG TRP A 94 3.706 -2.840 -10.958 1.00 0.00 C ATOM 1511 CD1 TRP A 94 4.757 -3.671 -10.666 1.00 0.00 C ATOM 1512 CD2 TRP A 94 2.941 -3.499 -11.975 1.00 0.00 C ATOM 1513 NE1 TRP A 94 4.681 -4.807 -11.444 1.00 0.00 N ATOM 1514 CE2 TRP A 94 3.580 -4.727 -12.244 1.00 0.00 C ATOM 1515 CE3 TRP A 94 1.781 -3.177 -12.676 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 3.088 -5.620 -13.195 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 1.303 -4.072 -13.610 1.00 0.00 C ATOM 1518 CH2 TRP A 94 1.949 -5.279 -13.864 1.00 0.00 C ATOM 0 H TRP A 94 6.121 -0.861 -10.930 1.00 0.00 H new ATOM 0 HA TRP A 94 3.479 -0.012 -11.919 1.00 0.00 H new ATOM 0 HB2 TRP A 94 3.745 -1.502 -9.312 1.00 0.00 H new ATOM 0 HB3 TRP A 94 2.342 -1.333 -10.348 1.00 0.00 H new ATOM 0 HD1 TRP A 94 5.527 -3.467 -9.937 1.00 0.00 H new ATOM 0 HE1 TRP A 94 5.343 -5.583 -11.424 1.00 0.00 H new ATOM 0 HE3 TRP A 94 1.267 -2.245 -12.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 3.593 -6.553 -13.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.405 -3.830 -14.158 1.00 0.00 H new ATOM 0 HH2 TRP A 94 1.542 -5.955 -14.601 1.00 0.00 H new ATOM 1529 N ARG A 95 5.350 0.705 -9.344 1.00 0.00 N ATOM 1530 CA ARG A 95 5.655 1.765 -8.409 1.00 0.00 C ATOM 1531 C ARG A 95 5.821 3.085 -9.143 1.00 0.00 C ATOM 1532 O ARG A 95 5.543 4.152 -8.601 1.00 0.00 O ATOM 1533 CB ARG A 95 6.920 1.436 -7.615 1.00 0.00 C ATOM 1534 CG ARG A 95 7.277 2.486 -6.575 1.00 0.00 C ATOM 1535 CD ARG A 95 8.299 3.472 -7.109 1.00 0.00 C ATOM 1536 NE ARG A 95 9.520 2.804 -7.564 1.00 0.00 N ATOM 1537 CZ ARG A 95 10.458 2.335 -6.745 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.325 2.457 -5.433 1.00 0.00 N ATOM 1539 NH2 ARG A 95 11.537 1.740 -7.243 1.00 0.00 N ATOM 0 H ARG A 95 6.006 -0.075 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 95 4.824 1.856 -7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.787 0.475 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.754 1.324 -8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.377 3.021 -6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.672 1.998 -5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.864 4.034 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.549 4.193 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 95 9.660 2.692 -8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.499 2.913 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.048 2.095 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.646 1.643 -8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.256 1.380 -6.616 1.00 0.00 H new ATOM 1553 N LYS A 96 6.272 3.006 -10.391 1.00 0.00 N ATOM 1554 CA LYS A 96 6.472 4.202 -11.204 1.00 0.00 C ATOM 1555 C LYS A 96 5.161 4.948 -11.379 1.00 0.00 C ATOM 1556 O LYS A 96 5.139 6.175 -11.449 1.00 0.00 O ATOM 1557 CB LYS A 96 7.057 3.832 -12.569 1.00 0.00 C ATOM 1558 CG LYS A 96 6.233 2.793 -13.319 1.00 0.00 C ATOM 1559 CD LYS A 96 5.288 3.449 -14.312 1.00 0.00 C ATOM 1560 CE LYS A 96 5.905 3.520 -15.706 1.00 0.00 C ATOM 1561 NZ LYS A 96 4.884 3.855 -16.740 1.00 0.00 N ATOM 0 H LYS A 96 6.505 2.131 -10.860 1.00 0.00 H new ATOM 0 HA LYS A 96 7.179 4.853 -10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.135 4.732 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.069 3.452 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.899 2.109 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.660 2.197 -12.608 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.355 2.887 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.040 4.454 -13.971 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.695 4.271 -15.717 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.370 2.564 -15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.337 3.895 -17.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.143 3.125 -16.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.459 4.779 -16.522 1.00 0.00 H new ATOM 1575 N LYS A 97 4.056 4.209 -11.416 1.00 0.00 N ATOM 1576 CA LYS A 97 2.742 4.816 -11.544 1.00 0.00 C ATOM 1577 C LYS A 97 2.426 5.593 -10.279 1.00 0.00 C ATOM 1578 O LYS A 97 2.174 6.803 -10.320 1.00 0.00 O ATOM 1579 CB LYS A 97 1.683 3.745 -11.796 1.00 0.00 C ATOM 1580 CG LYS A 97 0.305 4.149 -11.367 1.00 0.00 C ATOM 1581 CD LYS A 97 -0.694 3.607 -12.320 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.271 4.700 -13.195 1.00 0.00 C ATOM 1583 NZ LYS A 97 -2.669 4.405 -13.607 1.00 0.00 N ATOM 0 H LYS A 97 4.048 3.191 -11.359 1.00 0.00 H new ATOM 0 HA LYS A 97 2.739 5.498 -12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.667 3.505 -12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.966 2.835 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.103 3.777 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.230 5.236 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.227 2.846 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.497 3.118 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.244 5.647 -12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.649 4.820 -14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.025 5.178 -14.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.692 3.514 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.269 4.316 -12.762 1.00 0.00 H new ATOM 1597 N TYR A 98 2.464 4.896 -9.153 1.00 0.00 N ATOM 1598 CA TYR A 98 2.197 5.520 -7.869 1.00 0.00 C ATOM 1599 C TYR A 98 3.209 6.630 -7.600 1.00 0.00 C ATOM 1600 O TYR A 98 2.898 7.620 -6.937 1.00 0.00 O ATOM 1601 CB TYR A 98 2.264 4.482 -6.747 1.00 0.00 C ATOM 1602 CG TYR A 98 1.045 3.595 -6.624 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.154 4.091 -6.842 1.00 0.00 C ATOM 1604 CD2 TYR A 98 1.175 2.260 -6.271 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.261 3.279 -6.704 1.00 0.00 C ATOM 1606 CE2 TYR A 98 0.104 1.446 -6.126 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.110 1.964 -6.346 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.210 1.152 -6.207 1.00 0.00 O ATOM 0 H TYR A 98 2.677 3.900 -9.104 1.00 0.00 H new ATOM 0 HA TYR A 98 1.195 5.948 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.139 3.852 -6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.414 5.001 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.271 5.126 -7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.163 1.857 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.249 3.680 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.225 0.411 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.030 0.283 -6.623 1.00 0.00 H new ATOM 1618 N GLU A 99 4.422 6.468 -8.136 1.00 0.00 N ATOM 1619 CA GLU A 99 5.469 7.463 -7.960 1.00 0.00 C ATOM 1620 C GLU A 99 5.293 8.605 -8.945 1.00 0.00 C ATOM 1621 O GLU A 99 5.636 9.753 -8.660 1.00 0.00 O ATOM 1622 CB GLU A 99 6.852 6.825 -8.142 1.00 0.00 C ATOM 1623 CG GLU A 99 7.915 7.414 -7.230 1.00 0.00 C ATOM 1624 CD GLU A 99 9.236 7.631 -7.940 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.824 6.640 -8.421 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.688 8.793 -8.016 1.00 0.00 O ATOM 0 H GLU A 99 4.697 5.659 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 99 5.394 7.859 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.777 5.754 -7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.166 6.946 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.560 8.365 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.068 6.749 -6.380 1.00 0.00 H new ATOM 1633 N ASP A 100 4.731 8.290 -10.114 1.00 0.00 N ATOM 1634 CA ASP A 100 4.495 9.300 -11.145 1.00 0.00 C ATOM 1635 C ASP A 100 3.766 10.496 -10.543 1.00 0.00 C ATOM 1636 O ASP A 100 4.163 11.646 -10.741 1.00 0.00 O ATOM 1637 CB ASP A 100 3.688 8.711 -12.288 1.00 0.00 C ATOM 1638 CG ASP A 100 3.405 9.717 -13.383 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.372 10.255 -13.961 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.218 9.973 -13.665 1.00 0.00 O ATOM 0 H ASP A 100 4.433 7.348 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 100 5.456 9.633 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.228 7.864 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.744 8.327 -11.901 1.00 0.00 H new ATOM 1645 N ARG A 101 2.715 10.217 -9.792 1.00 0.00 N ATOM 1646 CA ARG A 101 1.949 11.269 -9.143 1.00 0.00 C ATOM 1647 C ARG A 101 2.840 12.096 -8.229 1.00 0.00 C ATOM 1648 O ARG A 101 2.749 13.323 -8.190 1.00 0.00 O ATOM 1649 CB ARG A 101 0.805 10.676 -8.338 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.437 11.381 -8.598 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.293 11.449 -7.338 1.00 0.00 C ATOM 1652 NE ARG A 101 -2.052 12.698 -7.265 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.490 13.897 -7.111 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -0.173 14.017 -7.027 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.253 14.980 -7.057 1.00 0.00 N ATOM 0 H ARG A 101 2.372 9.273 -9.616 1.00 0.00 H new ATOM 0 HA ARG A 101 1.541 11.916 -9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.688 9.622 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.040 10.726 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.221 12.389 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.988 10.876 -9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.981 10.604 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.654 11.359 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.068 12.648 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.419 13.188 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.249 14.938 -6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.267 14.894 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.826 15.899 -6.939 1.00 0.00 H new ATOM 1669 N ALA A 102 3.709 11.402 -7.500 1.00 0.00 N ATOM 1670 CA ALA A 102 4.636 12.061 -6.598 1.00 0.00 C ATOM 1671 C ALA A 102 5.527 13.058 -7.341 1.00 0.00 C ATOM 1672 O ALA A 102 6.152 13.921 -6.731 1.00 0.00 O ATOM 1673 CB ALA A 102 5.484 11.026 -5.871 1.00 0.00 C ATOM 0 H ALA A 102 3.787 10.385 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 102 4.054 12.621 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.176 11.531 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.836 10.364 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.048 10.442 -6.598 1.00 0.00 H new ATOM 1679 N LYS A 103 5.560 12.937 -8.669 1.00 0.00 N ATOM 1680 CA LYS A 103 6.366 13.838 -9.480 1.00 0.00 C ATOM 1681 C LYS A 103 5.557 15.086 -9.816 1.00 0.00 C ATOM 1682 O LYS A 103 6.105 16.190 -9.907 1.00 0.00 O ATOM 1683 CB LYS A 103 6.850 13.128 -10.760 1.00 0.00 C ATOM 1684 CG LYS A 103 5.950 13.309 -11.966 1.00 0.00 C ATOM 1685 CD LYS A 103 6.399 14.486 -12.826 1.00 0.00 C ATOM 1686 CE LYS A 103 6.237 14.188 -14.310 1.00 0.00 C ATOM 1687 NZ LYS A 103 4.969 14.751 -14.850 1.00 0.00 N ATOM 0 H LYS A 103 5.044 12.233 -9.196 1.00 0.00 H new ATOM 0 HA LYS A 103 7.249 14.137 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.845 13.496 -11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.947 12.062 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.953 12.398 -12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 103 4.924 13.469 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.817 15.370 -12.566 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.443 14.717 -12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.082 14.603 -14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.253 13.110 -14.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.894 14.528 -15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.161 14.336 -14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.965 15.783 -14.722 1.00 0.00 H new ATOM 1701 N ALA A 104 4.261 14.907 -9.994 1.00 0.00 N ATOM 1702 CA ALA A 104 3.372 16.018 -10.294 1.00 0.00 C ATOM 1703 C ALA A 104 3.161 16.879 -9.059 1.00 0.00 C ATOM 1704 O ALA A 104 3.005 18.096 -9.148 1.00 0.00 O ATOM 1705 CB ALA A 104 2.035 15.501 -10.821 1.00 0.00 C ATOM 0 H ALA A 104 3.798 14.000 -9.936 1.00 0.00 H new ATOM 0 HA ALA A 104 3.834 16.633 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.380 16.344 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.201 14.923 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.568 14.866 -10.068 1.00 0.00 H new ATOM 1711 N ALA A 105 3.167 16.228 -7.894 1.00 0.00 N ATOM 1712 CA ALA A 105 2.982 16.929 -6.634 1.00 0.00 C ATOM 1713 C ALA A 105 4.318 17.409 -6.071 1.00 0.00 C ATOM 1714 O ALA A 105 4.433 18.549 -5.613 1.00 0.00 O ATOM 1715 CB ALA A 105 2.285 16.023 -5.628 1.00 0.00 C ATOM 0 H ALA A 105 3.298 15.221 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 105 2.358 17.803 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.152 16.558 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.311 15.727 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.893 15.134 -5.457 1.00 0.00 H new ATOM 1721 N GLY A 106 5.322 16.539 -6.105 1.00 0.00 N ATOM 1722 CA GLY A 106 6.630 16.891 -5.590 1.00 0.00 C ATOM 1723 C GLY A 106 7.091 15.921 -4.520 1.00 0.00 C ATOM 1724 O GLY A 106 8.278 15.596 -4.430 1.00 0.00 O ATOM 0 H GLY A 106 5.251 15.594 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.352 16.902 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.600 17.900 -5.178 1.00 0.00 H new ATOM 1728 N ILE A 107 6.153 15.458 -3.716 1.00 0.00 N ATOM 1729 CA ILE A 107 6.436 14.516 -2.644 1.00 0.00 C ATOM 1730 C ILE A 107 7.081 13.246 -3.195 1.00 0.00 C ATOM 1731 O ILE A 107 6.410 12.389 -3.760 1.00 0.00 O ATOM 1732 CB ILE A 107 5.151 14.145 -1.864 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.379 12.936 -0.970 1.00 0.00 C ATOM 1734 CG2 ILE A 107 3.995 13.891 -2.822 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.467 13.140 0.018 1.00 0.00 C ATOM 0 H ILE A 107 5.171 15.723 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 107 7.130 15.004 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 107 4.893 14.990 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.455 12.703 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.617 12.072 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.102 13.632 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.804 14.790 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.251 13.069 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.580 12.242 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.401 13.344 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.220 13.984 0.662 1.00 0.00 H new ATOM 1747 N VAL A 108 8.389 13.131 -3.019 1.00 0.00 N ATOM 1748 CA VAL A 108 9.124 11.964 -3.487 1.00 0.00 C ATOM 1749 C VAL A 108 9.954 11.359 -2.361 1.00 0.00 C ATOM 1750 O VAL A 108 10.178 12.002 -1.334 1.00 0.00 O ATOM 1751 CB VAL A 108 10.045 12.299 -4.674 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.406 11.019 -5.433 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.385 13.305 -5.609 1.00 0.00 C ATOM 0 H VAL A 108 8.965 13.833 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 108 8.381 11.240 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 108 10.958 12.750 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.058 11.265 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.921 10.331 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.496 10.549 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.056 13.525 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.455 12.887 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.171 14.224 -5.063 1.00 0.00 H new ATOM 1763 N ILE A 109 10.399 10.118 -2.553 1.00 0.00 N ATOM 1764 CA ILE A 109 11.200 9.432 -1.545 1.00 0.00 C ATOM 1765 C ILE A 109 12.310 10.336 -1.001 1.00 0.00 C ATOM 1766 O ILE A 109 13.010 10.995 -1.765 1.00 0.00 O ATOM 1767 CB ILE A 109 11.804 8.124 -2.110 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.113 7.151 -0.967 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.057 8.411 -2.928 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.876 6.684 -0.232 1.00 0.00 C ATOM 0 H ILE A 109 10.218 9.570 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 109 10.534 9.179 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 109 11.072 7.663 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.638 6.284 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.788 7.634 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.462 7.475 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.805 9.068 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.801 8.895 -2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.163 5.998 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.362 7.544 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.210 6.173 -0.928 1.00 0.00 H new ATOM 1782 N PRO A 110 12.476 10.380 0.278 1.00 0.00 N ATOM 1783 CA PRO A 110 13.502 11.213 0.893 1.00 0.00 C ATOM 1784 C PRO A 110 14.899 10.644 0.718 1.00 0.00 C ATOM 1785 O PRO A 110 15.586 10.314 1.667 1.00 0.00 O ATOM 1786 CB PRO A 110 13.100 11.221 2.363 1.00 0.00 C ATOM 1787 CG PRO A 110 12.327 9.962 2.559 1.00 0.00 C ATOM 1788 CD PRO A 110 11.689 9.631 1.243 1.00 0.00 C ATOM 0 HA PRO A 110 13.552 12.204 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.976 11.251 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.496 12.096 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.982 9.154 2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.570 10.090 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.721 8.560 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.640 9.928 1.221 1.00 0.00 H new ATOM 1796 N GLU A 111 15.317 10.527 -0.474 1.00 0.00 N ATOM 1797 CA GLU A 111 16.630 10.000 -0.801 1.00 0.00 C ATOM 1798 C GLU A 111 17.714 11.038 -0.543 1.00 0.00 C ATOM 1799 O GLU A 111 18.282 11.604 -1.479 1.00 0.00 O ATOM 1800 CB GLU A 111 16.682 9.537 -2.254 1.00 0.00 C ATOM 1801 CG GLU A 111 15.843 10.379 -3.208 1.00 0.00 C ATOM 1802 CD GLU A 111 16.175 10.128 -4.661 1.00 0.00 C ATOM 1803 OE1 GLU A 111 17.073 10.819 -5.192 1.00 0.00 O ATOM 1804 OE2 GLU A 111 15.544 9.245 -5.271 1.00 0.00 O ATOM 0 H GLU A 111 14.765 10.793 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 111 16.813 9.141 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.718 9.550 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.343 8.502 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.787 10.166 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.995 11.435 -2.983 1.00 0.00 H new ATOM 1811 N GLU A 112 17.989 11.292 0.671 1.00 0.00 N ATOM 1812 CA GLU A 112 18.998 12.255 1.058 1.00 0.00 C ATOM 1813 C GLU A 112 20.370 11.595 1.180 1.00 0.00 C ATOM 1814 O GLU A 112 20.433 10.351 1.087 1.00 0.00 O ATOM 1815 CB GLU A 112 18.624 12.947 2.360 1.00 0.00 C ATOM 1816 CG GLU A 112 17.512 12.264 3.145 1.00 0.00 C ATOM 1817 CD GLU A 112 17.947 10.942 3.747 1.00 0.00 C ATOM 1818 OE1 GLU A 112 18.555 10.133 3.017 1.00 0.00 O ATOM 1819 OE2 GLU A 112 17.682 10.726 4.945 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.359 12.327 1.367 1.00 0.00 O ATOM 0 H GLU A 112 17.524 10.841 1.459 1.00 0.00 H new ATOM 0 HA GLU A 112 19.050 13.009 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 112 19.511 13.009 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.319 13.970 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.175 12.928 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.659 12.096 2.487 1.00 0.00 H new