USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 9 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.96) USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 0.983 (180deg=0.905) USER MOD Single : A 15 LYS NZ :NH3+ -122:sc= 0.646 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.927 (180deg=-1.79) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -168:sc= -0.0565 (180deg=-0.282) USER MOD Single : A 28 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.25) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= -0.212 USER MOD Single : A 37 GLN : amide:sc= -0.112 K(o=-0.11,f=-3.5!) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc=-0.00495 (180deg=-0.0709) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.698 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00764) USER MOD Single : A 53 GLN : amide:sc= 0.29 K(o=0.29,f=-4.4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.26) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.266 K(o=0.27,f=-0.92) USER MOD Single : A 76 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.0064) USER MOD Single : A 82 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 9.806 13.075 -6.170 1.00 0.00 N ATOM 98 CA LEU A 7 9.108 14.256 -6.713 1.00 0.00 C ATOM 99 C LEU A 7 10.020 15.478 -6.484 1.00 0.00 C ATOM 100 O LEU A 7 10.148 15.963 -5.350 1.00 0.00 O ATOM 101 CB LEU A 7 7.713 14.378 -6.015 1.00 0.00 C ATOM 102 CG LEU A 7 6.697 15.436 -6.588 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.239 15.011 -6.304 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.942 16.857 -6.028 1.00 0.00 C ATOM 0 HA LEU A 7 8.916 14.178 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.234 13.400 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.883 14.612 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 7 6.863 15.469 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.557 15.758 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.043 14.047 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.087 14.927 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.214 17.547 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.836 16.844 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.949 17.183 -6.290 1.00 0.00 H new ATOM 116 N ASN A 8 10.705 15.928 -7.559 1.00 0.00 N ATOM 117 CA ASN A 8 11.743 16.977 -7.479 1.00 0.00 C ATOM 118 C ASN A 8 11.124 18.381 -7.659 1.00 0.00 C ATOM 119 O ASN A 8 10.683 18.988 -6.673 1.00 0.00 O ATOM 120 CB ASN A 8 12.876 16.699 -8.512 1.00 0.00 C ATOM 121 CG ASN A 8 13.513 15.319 -8.340 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.066 14.332 -8.935 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.557 15.235 -7.527 1.00 0.00 N ATOM 0 H ASN A 8 10.553 15.574 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 8 12.191 16.952 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.470 16.783 -9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.646 17.464 -8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.016 14.336 -7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.901 16.069 -7.051 1.00 0.00 H new ATOM 130 N ASN A 9 11.066 18.893 -8.910 1.00 0.00 N ATOM 131 CA ASN A 9 10.468 20.212 -9.198 1.00 0.00 C ATOM 132 C ASN A 9 8.955 20.044 -9.365 1.00 0.00 C ATOM 133 O ASN A 9 8.484 19.687 -10.455 1.00 0.00 O ATOM 134 CB ASN A 9 11.103 20.856 -10.467 1.00 0.00 C ATOM 135 CG ASN A 9 10.582 22.271 -10.766 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.157 22.994 -9.866 1.00 0.00 O ATOM 137 ND2 ASN A 9 10.648 22.692 -12.024 1.00 0.00 N ATOM 0 H ASN A 9 11.426 18.411 -9.734 1.00 0.00 H new ATOM 0 HA ASN A 9 10.669 20.886 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.185 20.895 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.905 20.216 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.342 23.635 -12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.005 22.072 -12.751 1.00 0.00 H new ATOM 144 N GLU A 10 8.217 20.279 -8.258 1.00 0.00 N ATOM 145 CA GLU A 10 6.742 20.178 -8.199 1.00 0.00 C ATOM 146 C GLU A 10 6.076 20.973 -9.331 1.00 0.00 C ATOM 147 O GLU A 10 5.080 20.527 -9.891 1.00 0.00 O ATOM 148 CB GLU A 10 6.221 20.685 -6.823 1.00 0.00 C ATOM 149 CG GLU A 10 4.696 20.555 -6.629 1.00 0.00 C ATOM 150 CD GLU A 10 4.191 21.124 -5.300 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.166 20.387 -4.288 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.832 22.320 -5.252 1.00 0.00 O ATOM 0 H GLU A 10 8.635 20.548 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 10 6.479 19.127 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.724 20.130 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.502 21.732 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.190 21.066 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.420 19.502 -6.691 1.00 0.00 H new ATOM 159 N GLU A 11 6.690 22.123 -9.671 1.00 0.00 N ATOM 160 CA GLU A 11 6.195 23.068 -10.693 1.00 0.00 C ATOM 161 C GLU A 11 5.839 22.368 -12.026 1.00 0.00 C ATOM 162 O GLU A 11 4.799 22.655 -12.621 1.00 0.00 O ATOM 163 CB GLU A 11 7.267 24.158 -10.939 1.00 0.00 C ATOM 164 CG GLU A 11 6.802 25.342 -11.812 1.00 0.00 C ATOM 165 CD GLU A 11 7.919 26.350 -12.125 1.00 0.00 C ATOM 166 OE1 GLU A 11 8.323 27.104 -11.218 1.00 0.00 O ATOM 167 OE2 GLU A 11 8.402 26.390 -13.278 1.00 0.00 O ATOM 0 H GLU A 11 7.560 22.428 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 11 5.276 23.515 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.599 24.544 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.133 23.695 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.399 24.956 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.988 25.860 -11.304 1.00 0.00 H new ATOM 174 N LYS A 12 6.698 21.421 -12.461 1.00 0.00 N ATOM 175 CA LYS A 12 6.518 20.695 -13.740 1.00 0.00 C ATOM 176 C LYS A 12 5.312 19.750 -13.666 1.00 0.00 C ATOM 177 O LYS A 12 4.574 19.581 -14.644 1.00 0.00 O ATOM 178 CB LYS A 12 7.803 19.906 -14.112 1.00 0.00 C ATOM 179 CG LYS A 12 9.083 20.773 -14.151 1.00 0.00 C ATOM 180 CD LYS A 12 10.272 20.098 -14.873 1.00 0.00 C ATOM 181 CE LYS A 12 10.003 19.885 -16.373 1.00 0.00 C ATOM 182 NZ LYS A 12 11.145 19.235 -17.065 1.00 0.00 N ATOM 0 H LYS A 12 7.529 21.139 -11.942 1.00 0.00 H new ATOM 0 HA LYS A 12 6.329 21.432 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.944 19.100 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.662 19.440 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.857 21.716 -14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.379 21.013 -13.130 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.164 20.712 -14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.480 19.136 -14.404 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.110 19.272 -16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.796 20.847 -16.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.991 19.265 -18.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.024 19.739 -16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.221 18.245 -16.755 1.00 0.00 H new ATOM 196 N LEU A 13 5.121 19.155 -12.480 1.00 0.00 N ATOM 197 CA LEU A 13 4.006 18.234 -12.207 1.00 0.00 C ATOM 198 C LEU A 13 2.663 18.991 -12.138 1.00 0.00 C ATOM 199 O LEU A 13 1.630 18.483 -12.589 1.00 0.00 O ATOM 200 CB LEU A 13 4.261 17.429 -10.906 1.00 0.00 C ATOM 201 CG LEU A 13 5.446 16.404 -10.969 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.815 17.051 -10.693 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.209 15.193 -10.056 1.00 0.00 C ATOM 0 H LEU A 13 5.737 19.299 -11.680 1.00 0.00 H new ATOM 0 HA LEU A 13 3.945 17.526 -13.034 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.454 18.132 -10.096 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.350 16.889 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 13 5.472 16.044 -11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.595 16.291 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.008 17.826 -11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.814 17.495 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.055 14.509 -10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.105 15.530 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.298 14.679 -10.363 1.00 0.00 H new ATOM 215 N VAL A 14 2.707 20.211 -11.584 1.00 0.00 N ATOM 216 CA VAL A 14 1.547 21.120 -11.526 1.00 0.00 C ATOM 217 C VAL A 14 1.092 21.469 -12.953 1.00 0.00 C ATOM 218 O VAL A 14 -0.082 21.316 -13.286 1.00 0.00 O ATOM 219 CB VAL A 14 1.892 22.434 -10.733 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.704 23.435 -10.708 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.367 22.096 -9.304 1.00 0.00 C ATOM 0 H VAL A 14 3.550 20.599 -11.161 1.00 0.00 H new ATOM 0 HA VAL A 14 0.739 20.613 -10.999 1.00 0.00 H new ATOM 0 HB VAL A 14 2.707 22.928 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.991 24.326 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.443 23.715 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.156 22.967 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.601 23.017 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.578 21.561 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.258 21.470 -9.355 1.00 0.00 H new ATOM 231 N LYS A 15 2.066 21.894 -13.786 1.00 0.00 N ATOM 232 CA LYS A 15 1.849 22.236 -15.206 1.00 0.00 C ATOM 233 C LYS A 15 1.275 21.053 -15.996 1.00 0.00 C ATOM 234 O LYS A 15 0.364 21.228 -16.802 1.00 0.00 O ATOM 235 CB LYS A 15 3.182 22.682 -15.852 1.00 0.00 C ATOM 236 CG LYS A 15 3.755 24.003 -15.303 1.00 0.00 C ATOM 237 CD LYS A 15 5.172 24.286 -15.849 1.00 0.00 C ATOM 238 CE LYS A 15 5.715 25.656 -15.437 1.00 0.00 C ATOM 239 NZ LYS A 15 7.112 25.849 -15.900 1.00 0.00 N ATOM 0 H LYS A 15 3.034 22.010 -13.487 1.00 0.00 H new ATOM 0 HA LYS A 15 1.126 23.051 -15.239 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.921 21.894 -15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.032 22.786 -16.927 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.092 24.826 -15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.787 23.960 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.852 23.511 -15.495 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.155 24.222 -16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.081 26.440 -15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.673 25.754 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.725 26.042 -15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.440 24.988 -16.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.151 26.652 -16.559 1.00 0.00 H new ATOM 253 N LYS A 16 1.813 19.848 -15.740 1.00 0.00 N ATOM 254 CA LYS A 16 1.381 18.621 -16.432 1.00 0.00 C ATOM 255 C LYS A 16 -0.036 18.232 -15.998 1.00 0.00 C ATOM 256 O LYS A 16 -0.780 17.637 -16.766 1.00 0.00 O ATOM 257 CB LYS A 16 2.367 17.466 -16.161 1.00 0.00 C ATOM 258 CG LYS A 16 2.167 16.197 -17.030 1.00 0.00 C ATOM 259 CD LYS A 16 2.396 16.464 -18.532 1.00 0.00 C ATOM 260 CE LYS A 16 2.225 15.207 -19.399 1.00 0.00 C ATOM 261 NZ LYS A 16 2.464 15.501 -20.836 1.00 0.00 N ATOM 0 H LYS A 16 2.553 19.697 -15.054 1.00 0.00 H new ATOM 0 HA LYS A 16 1.372 18.817 -17.504 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.381 17.834 -16.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.287 17.182 -15.112 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.853 15.419 -16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.157 15.816 -16.883 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.697 17.229 -18.870 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.400 16.863 -18.675 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.918 14.435 -19.064 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.219 14.809 -19.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.341 14.632 -21.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.786 16.220 -21.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.433 15.858 -20.961 1.00 0.00 H new ATOM 275 N ALA A 17 -0.399 18.588 -14.763 1.00 0.00 N ATOM 276 CA ALA A 17 -1.759 18.391 -14.245 1.00 0.00 C ATOM 277 C ALA A 17 -2.725 19.439 -14.832 1.00 0.00 C ATOM 278 O ALA A 17 -3.915 19.168 -14.971 1.00 0.00 O ATOM 279 CB ALA A 17 -1.754 18.426 -12.719 1.00 0.00 C ATOM 0 H ALA A 17 0.238 19.020 -14.094 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.114 17.409 -14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.768 18.279 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.110 17.633 -12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.380 19.391 -12.378 1.00 0.00 H new ATOM 285 N LEU A 18 -2.194 20.634 -15.187 1.00 0.00 N ATOM 286 CA LEU A 18 -2.964 21.665 -15.928 1.00 0.00 C ATOM 287 C LEU A 18 -3.239 21.164 -17.357 1.00 0.00 C ATOM 288 O LEU A 18 -4.298 21.429 -17.928 1.00 0.00 O ATOM 289 CB LEU A 18 -2.220 23.038 -15.984 1.00 0.00 C ATOM 290 CG LEU A 18 -1.741 23.635 -14.623 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.078 25.021 -14.798 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.878 23.682 -13.590 1.00 0.00 C ATOM 0 H LEU A 18 -1.235 20.909 -14.972 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.900 21.827 -15.394 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.350 22.927 -16.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.880 23.763 -16.459 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.977 22.961 -14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.760 25.398 -13.826 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.211 24.930 -15.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.794 25.714 -15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.505 24.104 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.689 24.303 -13.970 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.248 22.673 -13.410 1.00 0.00 H new ATOM 304 N GLU A 19 -2.260 20.419 -17.908 1.00 0.00 N ATOM 305 CA GLU A 19 -2.350 19.813 -19.247 1.00 0.00 C ATOM 306 C GLU A 19 -3.398 18.686 -19.272 1.00 0.00 C ATOM 307 O GLU A 19 -4.361 18.763 -20.028 1.00 0.00 O ATOM 308 CB GLU A 19 -0.965 19.265 -19.680 1.00 0.00 C ATOM 309 CG GLU A 19 0.126 20.343 -19.866 1.00 0.00 C ATOM 310 CD GLU A 19 1.536 19.766 -20.098 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.689 18.879 -20.966 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.499 20.201 -19.422 1.00 0.00 O ATOM 0 H GLU A 19 -1.380 20.221 -17.432 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.663 20.585 -19.950 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.624 18.547 -18.934 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.082 18.720 -20.617 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.142 20.975 -20.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.146 20.983 -18.984 1.00 0.00 H new ATOM 319 N ILE A 20 -3.206 17.661 -18.419 1.00 0.00 N ATOM 320 CA ILE A 20 -4.063 16.462 -18.396 1.00 0.00 C ATOM 321 C ILE A 20 -5.451 16.824 -17.845 1.00 0.00 C ATOM 322 O ILE A 20 -6.454 16.529 -18.474 1.00 0.00 O ATOM 323 CB ILE A 20 -3.437 15.281 -17.556 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.962 14.986 -17.986 1.00 0.00 C ATOM 325 CG2 ILE A 20 -4.302 13.994 -17.669 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.778 14.512 -19.414 1.00 0.00 C ATOM 0 H ILE A 20 -2.455 17.642 -17.729 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.151 16.109 -19.423 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.425 15.599 -16.513 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.373 15.892 -17.844 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.551 14.231 -17.316 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.847 13.197 -17.081 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.305 14.196 -17.293 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.361 13.686 -18.713 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.719 14.337 -19.606 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.332 13.585 -19.564 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.151 15.272 -20.101 1.00 0.00 H new ATOM 338 N GLY A 21 -5.480 17.507 -16.693 1.00 0.00 N ATOM 339 CA GLY A 21 -6.734 17.943 -16.065 1.00 0.00 C ATOM 340 C GLY A 21 -7.503 18.952 -16.919 1.00 0.00 C ATOM 341 O GLY A 21 -8.738 18.922 -16.960 1.00 0.00 O ATOM 0 H GLY A 21 -4.643 17.771 -16.174 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.365 17.073 -15.881 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.514 18.388 -15.095 1.00 0.00 H new ATOM 345 N GLY A 22 -6.757 19.833 -17.616 1.00 0.00 N ATOM 346 CA GLY A 22 -7.351 20.837 -18.505 1.00 0.00 C ATOM 347 C GLY A 22 -7.989 20.235 -19.755 1.00 0.00 C ATOM 348 O GLY A 22 -9.142 20.556 -20.088 1.00 0.00 O ATOM 0 H GLY A 22 -5.738 19.865 -17.576 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.106 21.398 -17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.581 21.548 -18.805 1.00 0.00 H new ATOM 352 N LYS A 23 -7.241 19.335 -20.431 1.00 0.00 N ATOM 353 CA LYS A 23 -7.703 18.680 -21.672 1.00 0.00 C ATOM 354 C LYS A 23 -8.841 17.694 -21.366 1.00 0.00 C ATOM 355 O LYS A 23 -9.769 17.570 -22.154 1.00 0.00 O ATOM 356 CB LYS A 23 -6.551 17.937 -22.416 1.00 0.00 C ATOM 357 CG LYS A 23 -6.038 16.665 -21.708 1.00 0.00 C ATOM 358 CD LYS A 23 -5.093 15.818 -22.580 1.00 0.00 C ATOM 359 CE LYS A 23 -4.565 14.581 -21.828 1.00 0.00 C ATOM 360 NZ LYS A 23 -3.636 13.754 -22.646 1.00 0.00 N ATOM 0 H LYS A 23 -6.309 19.045 -20.134 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.067 19.469 -22.330 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.897 17.666 -23.414 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.716 18.626 -22.544 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.518 16.952 -20.794 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.891 16.055 -21.411 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.619 15.498 -23.479 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.252 16.431 -22.904 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.052 14.905 -20.922 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.409 13.966 -21.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.315 12.938 -22.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.129 13.418 -23.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.815 14.328 -22.925 1.00 0.00 H new ATOM 374 N MET A 24 -8.756 17.006 -20.199 1.00 0.00 N ATOM 375 CA MET A 24 -9.796 16.064 -19.758 1.00 0.00 C ATOM 376 C MET A 24 -11.100 16.823 -19.537 1.00 0.00 C ATOM 377 O MET A 24 -12.101 16.456 -20.113 1.00 0.00 O ATOM 378 CB MET A 24 -9.403 15.269 -18.475 1.00 0.00 C ATOM 379 CG MET A 24 -8.426 14.101 -18.696 1.00 0.00 C ATOM 380 SD MET A 24 -8.344 12.974 -17.279 1.00 0.00 S ATOM 381 CE MET A 24 -8.053 14.091 -15.909 1.00 0.00 C ATOM 0 H MET A 24 -7.973 17.092 -19.551 1.00 0.00 H new ATOM 0 HA MET A 24 -9.919 15.322 -20.547 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.959 15.962 -17.761 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.312 14.879 -18.017 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.730 13.542 -19.581 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.431 14.499 -18.896 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.572 13.550 -15.094 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.407 14.906 -16.235 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.003 14.498 -15.563 1.00 0.00 H new ATOM 391 N ALA A 25 -11.044 17.920 -18.744 1.00 0.00 N ATOM 392 CA ALA A 25 -12.210 18.803 -18.478 1.00 0.00 C ATOM 393 C ALA A 25 -12.879 19.238 -19.789 1.00 0.00 C ATOM 394 O ALA A 25 -14.095 19.089 -19.964 1.00 0.00 O ATOM 395 CB ALA A 25 -11.780 20.031 -17.652 1.00 0.00 C ATOM 0 H ALA A 25 -10.192 18.219 -18.270 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.940 18.237 -17.899 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.646 20.666 -17.467 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.362 19.701 -16.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.028 20.595 -18.203 1.00 0.00 H new ATOM 401 N LYS A 26 -12.035 19.690 -20.725 1.00 0.00 N ATOM 402 CA LYS A 26 -12.466 20.170 -22.042 1.00 0.00 C ATOM 403 C LYS A 26 -13.261 19.073 -22.791 1.00 0.00 C ATOM 404 O LYS A 26 -14.435 19.285 -23.133 1.00 0.00 O ATOM 405 CB LYS A 26 -11.229 20.657 -22.845 1.00 0.00 C ATOM 406 CG LYS A 26 -11.546 21.504 -24.104 1.00 0.00 C ATOM 407 CD LYS A 26 -10.270 22.103 -24.759 1.00 0.00 C ATOM 408 CE LYS A 26 -9.472 23.009 -23.798 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.247 23.563 -24.434 1.00 0.00 N ATOM 0 H LYS A 26 -11.025 19.733 -20.587 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.142 21.017 -21.922 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.595 21.246 -22.182 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.649 19.786 -23.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.067 20.883 -24.833 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.224 22.313 -23.832 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.628 21.291 -25.102 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.555 22.678 -25.640 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.107 23.829 -23.463 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.193 22.439 -22.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.743 24.165 -23.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.627 22.783 -24.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.513 24.129 -25.265 1.00 0.00 H new ATOM 423 N MET A 27 -12.633 17.880 -22.926 1.00 0.00 N ATOM 424 CA MET A 27 -13.235 16.687 -23.582 1.00 0.00 C ATOM 425 C MET A 27 -14.479 16.144 -22.831 1.00 0.00 C ATOM 426 O MET A 27 -15.354 15.535 -23.449 1.00 0.00 O ATOM 427 CB MET A 27 -12.184 15.552 -23.706 1.00 0.00 C ATOM 428 CG MET A 27 -10.986 15.878 -24.620 1.00 0.00 C ATOM 429 SD MET A 27 -9.824 14.500 -24.804 1.00 0.00 S ATOM 430 CE MET A 27 -9.257 14.242 -23.120 1.00 0.00 C ATOM 0 H MET A 27 -11.687 17.714 -22.581 1.00 0.00 H new ATOM 0 HA MET A 27 -13.562 17.014 -24.569 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.809 15.313 -22.711 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.679 14.657 -24.084 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.357 16.164 -25.604 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.455 16.740 -24.216 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.393 13.578 -23.125 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.976 15.199 -22.680 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.057 13.793 -22.532 1.00 0.00 H new ATOM 440 N GLN A 28 -14.529 16.340 -21.500 1.00 0.00 N ATOM 441 CA GLN A 28 -15.682 15.932 -20.657 1.00 0.00 C ATOM 442 C GLN A 28 -16.864 16.892 -20.896 1.00 0.00 C ATOM 443 O GLN A 28 -18.019 16.566 -20.617 1.00 0.00 O ATOM 444 CB GLN A 28 -15.288 15.887 -19.145 1.00 0.00 C ATOM 445 CG GLN A 28 -14.261 14.785 -18.762 1.00 0.00 C ATOM 446 CD GLN A 28 -14.712 13.350 -19.066 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.900 13.032 -19.042 1.00 0.00 O ATOM 448 NE2 GLN A 28 -13.758 12.466 -19.331 1.00 0.00 N ATOM 0 H GLN A 28 -13.776 16.784 -20.974 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.985 14.924 -20.941 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.878 16.857 -18.864 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.192 15.740 -18.554 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.328 14.978 -19.292 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.044 14.865 -17.697 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.781 12.759 -19.344 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.002 11.494 -19.522 1.00 0.00 H new ATOM 457 N GLY A 29 -16.549 18.090 -21.407 1.00 0.00 N ATOM 458 CA GLY A 29 -17.557 19.034 -21.904 1.00 0.00 C ATOM 459 C GLY A 29 -17.483 20.363 -21.192 1.00 0.00 C ATOM 460 O GLY A 29 -18.512 20.979 -20.898 1.00 0.00 O ATOM 0 H GLY A 29 -15.591 18.430 -21.487 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.415 19.187 -22.974 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.551 18.606 -21.772 1.00 0.00 H new ATOM 464 N PHE A 30 -16.248 20.813 -20.916 1.00 0.00 N ATOM 465 CA PHE A 30 -15.993 22.037 -20.108 1.00 0.00 C ATOM 466 C PHE A 30 -14.935 22.907 -20.801 1.00 0.00 C ATOM 467 O PHE A 30 -14.508 22.600 -21.915 1.00 0.00 O ATOM 468 CB PHE A 30 -15.534 21.661 -18.662 1.00 0.00 C ATOM 469 CG PHE A 30 -16.545 20.827 -17.867 1.00 0.00 C ATOM 470 CD1 PHE A 30 -17.668 21.425 -17.299 1.00 0.00 C ATOM 471 CD2 PHE A 30 -16.366 19.453 -17.685 1.00 0.00 C ATOM 472 CE1 PHE A 30 -18.585 20.677 -16.583 1.00 0.00 C ATOM 473 CE2 PHE A 30 -17.284 18.706 -16.970 1.00 0.00 C ATOM 474 CZ PHE A 30 -18.390 19.320 -16.414 1.00 0.00 C ATOM 0 H PHE A 30 -15.399 20.350 -21.239 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.921 22.604 -20.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.597 21.108 -18.725 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -15.327 22.578 -18.111 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -17.825 22.487 -17.419 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.499 18.968 -18.109 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.454 21.154 -16.156 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.137 17.643 -16.846 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.102 18.739 -15.847 1.00 0.00 H new ATOM 484 N ASP A 31 -14.538 24.001 -20.140 1.00 0.00 N ATOM 485 CA ASP A 31 -13.443 24.862 -20.588 1.00 0.00 C ATOM 486 C ASP A 31 -12.910 25.634 -19.379 1.00 0.00 C ATOM 487 O ASP A 31 -13.569 26.562 -18.882 1.00 0.00 O ATOM 488 CB ASP A 31 -13.903 25.839 -21.708 1.00 0.00 C ATOM 489 CG ASP A 31 -12.752 26.723 -22.229 1.00 0.00 C ATOM 490 OD1 ASP A 31 -11.924 26.220 -23.019 1.00 0.00 O ATOM 491 OD2 ASP A 31 -12.665 27.917 -21.851 1.00 0.00 O ATOM 0 H ASP A 31 -14.973 24.314 -19.272 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.653 24.244 -21.015 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.321 25.267 -22.536 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.701 26.475 -21.326 1.00 0.00 H new ATOM 496 N LEU A 32 -11.746 25.209 -18.871 1.00 0.00 N ATOM 497 CA LEU A 32 -11.044 25.921 -17.801 1.00 0.00 C ATOM 498 C LEU A 32 -10.461 27.234 -18.381 1.00 0.00 C ATOM 499 O LEU A 32 -9.898 27.215 -19.488 1.00 0.00 O ATOM 500 CB LEU A 32 -9.935 25.018 -17.189 1.00 0.00 C ATOM 501 CG LEU A 32 -10.418 23.629 -16.636 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.257 22.838 -16.003 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.586 23.784 -15.632 1.00 0.00 C ATOM 0 H LEU A 32 -11.268 24.366 -19.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.735 26.169 -16.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.175 24.841 -17.950 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.453 25.564 -16.378 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.788 23.061 -17.490 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.628 21.883 -15.631 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.486 22.661 -16.753 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.835 23.410 -15.177 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.890 22.801 -15.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.262 24.394 -14.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.429 24.267 -16.126 1.00 0.00 H new ATOM 515 N PRO A 33 -10.597 28.390 -17.666 1.00 0.00 N ATOM 516 CA PRO A 33 -10.253 29.717 -18.226 1.00 0.00 C ATOM 517 C PRO A 33 -8.723 29.975 -18.269 1.00 0.00 C ATOM 518 O PRO A 33 -7.986 29.539 -17.380 1.00 0.00 O ATOM 519 CB PRO A 33 -10.980 30.677 -17.256 1.00 0.00 C ATOM 520 CG PRO A 33 -10.932 29.973 -15.934 1.00 0.00 C ATOM 521 CD PRO A 33 -11.064 28.494 -16.252 1.00 0.00 C ATOM 0 HA PRO A 33 -10.555 29.833 -19.267 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.484 31.646 -17.209 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.007 30.860 -17.572 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.997 30.180 -15.414 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.740 30.307 -15.283 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.455 27.885 -15.584 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.093 28.152 -16.145 1.00 0.00 H new ATOM 529 N GLN A 34 -8.257 30.661 -19.333 1.00 0.00 N ATOM 530 CA GLN A 34 -6.861 31.121 -19.451 1.00 0.00 C ATOM 531 C GLN A 34 -6.714 32.427 -18.636 1.00 0.00 C ATOM 532 O GLN A 34 -6.789 33.541 -19.168 1.00 0.00 O ATOM 533 CB GLN A 34 -6.463 31.315 -20.947 1.00 0.00 C ATOM 534 CG GLN A 34 -4.974 31.665 -21.183 1.00 0.00 C ATOM 535 CD GLN A 34 -4.618 31.910 -22.656 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.451 32.354 -23.443 1.00 0.00 O ATOM 537 NE2 GLN A 34 -3.381 31.626 -23.034 1.00 0.00 N ATOM 0 H GLN A 34 -8.839 30.911 -20.133 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.180 30.371 -19.049 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.697 30.401 -21.492 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.080 32.107 -21.373 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.725 32.556 -20.606 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.355 30.854 -20.800 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.712 31.259 -22.357 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.097 31.775 -24.002 1.00 0.00 H new ATOM 546 N SER A 35 -6.594 32.247 -17.317 1.00 0.00 N ATOM 547 CA SER A 35 -6.533 33.329 -16.320 1.00 0.00 C ATOM 548 C SER A 35 -5.208 33.181 -15.526 1.00 0.00 C ATOM 549 O SER A 35 -4.735 32.056 -15.424 1.00 0.00 O ATOM 550 CB SER A 35 -7.789 33.199 -15.419 1.00 0.00 C ATOM 551 OG SER A 35 -8.982 33.240 -16.190 1.00 0.00 O ATOM 0 H SER A 35 -6.535 31.319 -16.898 1.00 0.00 H new ATOM 0 HA SER A 35 -6.536 34.321 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.745 32.263 -14.862 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.799 34.006 -14.686 1.00 0.00 H new ATOM 0 HG SER A 35 -9.758 33.154 -15.597 1.00 0.00 H new ATOM 557 N PRO A 36 -4.652 34.280 -14.870 1.00 0.00 N ATOM 558 CA PRO A 36 -3.230 34.406 -14.416 1.00 0.00 C ATOM 559 C PRO A 36 -2.385 33.094 -14.379 1.00 0.00 C ATOM 560 O PRO A 36 -1.634 32.846 -15.323 1.00 0.00 O ATOM 561 CB PRO A 36 -3.419 35.035 -13.027 1.00 0.00 C ATOM 562 CG PRO A 36 -4.609 35.959 -13.187 1.00 0.00 C ATOM 563 CD PRO A 36 -5.387 35.488 -14.423 1.00 0.00 C ATOM 0 HA PRO A 36 -2.632 34.986 -15.119 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.606 34.274 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.530 35.583 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.242 35.929 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.281 36.991 -13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.424 35.257 -14.178 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.406 36.254 -15.199 1.00 0.00 H new ATOM 571 N GLN A 37 -2.578 32.251 -13.326 1.00 0.00 N ATOM 572 CA GLN A 37 -1.984 30.886 -13.207 1.00 0.00 C ATOM 573 C GLN A 37 -2.608 30.104 -12.008 1.00 0.00 C ATOM 574 O GLN A 37 -3.188 29.041 -12.239 1.00 0.00 O ATOM 575 CB GLN A 37 -0.400 30.859 -13.122 1.00 0.00 C ATOM 576 CG GLN A 37 0.337 30.651 -14.467 1.00 0.00 C ATOM 577 CD GLN A 37 -0.102 29.387 -15.219 1.00 0.00 C ATOM 578 OE1 GLN A 37 -1.037 29.417 -16.030 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.564 28.268 -14.963 1.00 0.00 N ATOM 0 H GLN A 37 -3.158 32.503 -12.525 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.237 30.386 -14.142 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.061 31.798 -12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.104 30.063 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.167 31.520 -15.103 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.409 30.598 -14.280 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.330 28.273 -14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.310 27.403 -15.440 1.00 0.00 H new ATOM 588 N PRO A 38 -2.522 30.597 -10.702 1.00 0.00 N ATOM 589 CA PRO A 38 -2.962 29.792 -9.516 1.00 0.00 C ATOM 590 C PRO A 38 -4.488 29.544 -9.509 1.00 0.00 C ATOM 591 O PRO A 38 -4.981 28.606 -8.874 1.00 0.00 O ATOM 592 CB PRO A 38 -2.504 30.646 -8.305 1.00 0.00 C ATOM 593 CG PRO A 38 -2.499 32.050 -8.828 1.00 0.00 C ATOM 594 CD PRO A 38 -2.040 31.947 -10.272 1.00 0.00 C ATOM 0 HA PRO A 38 -2.532 28.791 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.185 30.538 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.515 30.347 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.492 32.496 -8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.827 32.682 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.468 32.739 -10.886 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.956 32.030 -10.355 1.00 0.00 H new ATOM 602 N VAL A 39 -5.210 30.412 -10.230 1.00 0.00 N ATOM 603 CA VAL A 39 -6.654 30.274 -10.488 1.00 0.00 C ATOM 604 C VAL A 39 -6.962 29.040 -11.371 1.00 0.00 C ATOM 605 O VAL A 39 -7.948 28.338 -11.136 1.00 0.00 O ATOM 606 CB VAL A 39 -7.222 31.577 -11.169 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.302 32.752 -10.167 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.368 31.979 -12.394 1.00 0.00 C ATOM 0 H VAL A 39 -4.803 31.244 -10.658 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.144 30.130 -9.525 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.233 31.350 -11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.698 33.634 -10.671 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.959 32.481 -9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.306 32.971 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.781 32.881 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.343 32.169 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.377 31.170 -13.125 1.00 0.00 H new ATOM 618 N ARG A 40 -6.100 28.790 -12.382 1.00 0.00 N ATOM 619 CA ARG A 40 -6.232 27.630 -13.301 1.00 0.00 C ATOM 620 C ARG A 40 -5.868 26.339 -12.565 1.00 0.00 C ATOM 621 O ARG A 40 -6.476 25.297 -12.779 1.00 0.00 O ATOM 622 CB ARG A 40 -5.307 27.790 -14.535 1.00 0.00 C ATOM 623 CG ARG A 40 -5.560 29.061 -15.356 1.00 0.00 C ATOM 624 CD ARG A 40 -4.629 29.169 -16.579 1.00 0.00 C ATOM 625 NE ARG A 40 -4.820 28.050 -17.512 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.847 27.430 -18.196 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.582 27.834 -18.105 1.00 0.00 N ATOM 628 NH2 ARG A 40 -4.152 26.408 -18.974 1.00 0.00 N ATOM 0 H ARG A 40 -5.295 29.382 -12.586 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.267 27.585 -13.641 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.270 27.789 -14.199 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.433 26.923 -15.183 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.597 29.073 -15.691 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.421 29.935 -14.719 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.817 30.110 -17.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.592 29.191 -16.245 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.774 27.716 -17.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.341 28.626 -17.509 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.854 27.352 -18.632 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.120 26.097 -19.051 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.419 25.930 -19.498 1.00 0.00 H new ATOM 642 N VAL A 41 -4.852 26.458 -11.701 1.00 0.00 N ATOM 643 CA VAL A 41 -4.377 25.381 -10.818 1.00 0.00 C ATOM 644 C VAL A 41 -5.519 24.898 -9.897 1.00 0.00 C ATOM 645 O VAL A 41 -5.765 23.690 -9.754 1.00 0.00 O ATOM 646 CB VAL A 41 -3.132 25.890 -9.987 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.651 24.857 -8.960 1.00 0.00 C ATOM 648 CG2 VAL A 41 -1.968 26.300 -10.930 1.00 0.00 C ATOM 0 H VAL A 41 -4.325 27.324 -11.593 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.061 24.528 -11.419 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.463 26.767 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.795 25.256 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.456 24.639 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.360 23.941 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.123 26.647 -10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.663 25.440 -11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.300 27.101 -11.591 1.00 0.00 H new ATOM 658 N LYS A 42 -6.252 25.869 -9.334 1.00 0.00 N ATOM 659 CA LYS A 42 -7.380 25.611 -8.417 1.00 0.00 C ATOM 660 C LYS A 42 -8.595 25.060 -9.212 1.00 0.00 C ATOM 661 O LYS A 42 -9.331 24.202 -8.716 1.00 0.00 O ATOM 662 CB LYS A 42 -7.720 26.922 -7.629 1.00 0.00 C ATOM 663 CG LYS A 42 -8.360 26.715 -6.226 1.00 0.00 C ATOM 664 CD LYS A 42 -9.849 26.290 -6.255 1.00 0.00 C ATOM 665 CE LYS A 42 -10.763 27.349 -6.905 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.727 28.638 -6.171 1.00 0.00 N ATOM 0 H LYS A 42 -6.081 26.861 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.107 24.850 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.804 27.501 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.400 27.522 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.790 25.957 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.271 27.642 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.943 25.352 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.188 26.101 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.454 27.511 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.787 26.976 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.452 29.277 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.915 28.468 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.789 29.074 -6.280 1.00 0.00 H new ATOM 680 N ALA A 43 -8.784 25.560 -10.451 1.00 0.00 N ATOM 681 CA ALA A 43 -9.849 25.080 -11.377 1.00 0.00 C ATOM 682 C ALA A 43 -9.686 23.577 -11.714 1.00 0.00 C ATOM 683 O ALA A 43 -10.655 22.795 -11.647 1.00 0.00 O ATOM 684 CB ALA A 43 -9.844 25.923 -12.665 1.00 0.00 C ATOM 0 H ALA A 43 -8.209 26.305 -10.843 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.808 25.197 -10.872 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.625 25.566 -13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.029 26.968 -12.417 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.875 25.833 -13.155 1.00 0.00 H new ATOM 690 N VAL A 44 -8.437 23.199 -12.062 1.00 0.00 N ATOM 691 CA VAL A 44 -8.043 21.803 -12.348 1.00 0.00 C ATOM 692 C VAL A 44 -8.308 20.920 -11.121 1.00 0.00 C ATOM 693 O VAL A 44 -8.892 19.847 -11.244 1.00 0.00 O ATOM 694 CB VAL A 44 -6.523 21.703 -12.766 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.036 20.236 -12.855 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.267 22.428 -14.107 1.00 0.00 C ATOM 0 H VAL A 44 -7.667 23.861 -12.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.645 21.451 -13.186 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.950 22.196 -11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.986 20.218 -13.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.152 19.755 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.627 19.701 -13.598 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.213 22.343 -14.371 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.874 21.972 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.533 23.480 -14.008 1.00 0.00 H new ATOM 706 N TYR A 45 -7.892 21.423 -9.945 1.00 0.00 N ATOM 707 CA TYR A 45 -8.111 20.768 -8.641 1.00 0.00 C ATOM 708 C TYR A 45 -9.598 20.405 -8.422 1.00 0.00 C ATOM 709 O TYR A 45 -9.903 19.249 -8.131 1.00 0.00 O ATOM 710 CB TYR A 45 -7.577 21.695 -7.517 1.00 0.00 C ATOM 711 CG TYR A 45 -8.049 21.363 -6.095 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.405 20.399 -5.314 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.154 22.018 -5.542 1.00 0.00 C ATOM 714 CE1 TYR A 45 -7.849 20.109 -4.038 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.591 21.730 -4.277 1.00 0.00 C ATOM 716 CZ TYR A 45 -8.942 20.777 -3.531 1.00 0.00 C ATOM 717 OH TYR A 45 -9.393 20.496 -2.271 1.00 0.00 O ATOM 0 H TYR A 45 -7.388 22.307 -9.872 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.563 19.826 -8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.488 21.664 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.871 22.719 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.550 19.874 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.673 22.765 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.343 19.364 -3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.444 22.251 -3.867 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.171 21.057 -2.069 1.00 0.00 H new ATOM 727 N LEU A 46 -10.503 21.401 -8.578 1.00 0.00 N ATOM 728 CA LEU A 46 -11.968 21.214 -8.382 1.00 0.00 C ATOM 729 C LEU A 46 -12.511 20.125 -9.316 1.00 0.00 C ATOM 730 O LEU A 46 -13.283 19.250 -8.894 1.00 0.00 O ATOM 731 CB LEU A 46 -12.746 22.535 -8.627 1.00 0.00 C ATOM 732 CG LEU A 46 -12.451 23.707 -7.642 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.293 24.946 -8.003 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.671 23.289 -6.167 1.00 0.00 C ATOM 0 H LEU A 46 -10.244 22.352 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.116 20.907 -7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.529 22.877 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.813 22.315 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.398 23.968 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.072 25.752 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.051 25.268 -9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.352 24.695 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.455 24.134 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.706 22.978 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.007 22.460 -5.921 1.00 0.00 H new ATOM 746 N PHE A 47 -12.076 20.189 -10.585 1.00 0.00 N ATOM 747 CA PHE A 47 -12.423 19.187 -11.606 1.00 0.00 C ATOM 748 C PHE A 47 -11.947 17.768 -11.185 1.00 0.00 C ATOM 749 O PHE A 47 -12.688 16.796 -11.329 1.00 0.00 O ATOM 750 CB PHE A 47 -11.831 19.605 -12.990 1.00 0.00 C ATOM 751 CG PHE A 47 -11.755 18.460 -14.003 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.909 17.927 -14.583 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.529 17.890 -14.336 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.831 16.852 -15.450 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.455 16.828 -15.204 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.605 16.308 -15.767 1.00 0.00 C ATOM 0 H PHE A 47 -11.474 20.936 -10.932 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.508 19.145 -11.698 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.440 20.407 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.831 20.010 -12.839 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.872 18.359 -14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.623 18.289 -13.905 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.732 16.439 -15.879 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.495 16.398 -15.447 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.543 15.477 -16.454 1.00 0.00 H new ATOM 766 N LEU A 48 -10.709 17.670 -10.675 1.00 0.00 N ATOM 767 CA LEU A 48 -10.100 16.384 -10.264 1.00 0.00 C ATOM 768 C LEU A 48 -10.760 15.800 -8.995 1.00 0.00 C ATOM 769 O LEU A 48 -10.864 14.583 -8.870 1.00 0.00 O ATOM 770 CB LEU A 48 -8.572 16.537 -10.048 1.00 0.00 C ATOM 771 CG LEU A 48 -7.720 16.887 -11.308 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.224 16.962 -10.956 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.969 15.899 -12.468 1.00 0.00 C ATOM 0 H LEU A 48 -10.099 18.475 -10.534 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.275 15.682 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.410 17.313 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.192 15.606 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.040 17.871 -11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.652 17.207 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.066 17.733 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.893 15.999 -10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.356 16.181 -13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.706 14.890 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.021 15.928 -12.751 1.00 0.00 H new ATOM 785 N VAL A 49 -11.193 16.662 -8.060 1.00 0.00 N ATOM 786 CA VAL A 49 -11.903 16.215 -6.836 1.00 0.00 C ATOM 787 C VAL A 49 -13.301 15.678 -7.225 1.00 0.00 C ATOM 788 O VAL A 49 -13.777 14.673 -6.684 1.00 0.00 O ATOM 789 CB VAL A 49 -12.031 17.364 -5.759 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.854 16.903 -4.531 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.639 17.869 -5.309 1.00 0.00 C ATOM 0 H VAL A 49 -11.067 17.672 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.314 15.422 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.561 18.189 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.921 17.719 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.856 16.618 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.365 16.048 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.761 18.659 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.077 17.044 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.098 18.260 -6.171 1.00 0.00 H new ATOM 801 N ASP A 50 -13.919 16.357 -8.214 1.00 0.00 N ATOM 802 CA ASP A 50 -15.205 15.944 -8.819 1.00 0.00 C ATOM 803 C ASP A 50 -15.055 14.586 -9.525 1.00 0.00 C ATOM 804 O ASP A 50 -15.909 13.699 -9.408 1.00 0.00 O ATOM 805 CB ASP A 50 -15.672 17.022 -9.835 1.00 0.00 C ATOM 806 CG ASP A 50 -17.003 16.681 -10.535 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.079 16.992 -9.977 1.00 0.00 O ATOM 808 OD2 ASP A 50 -16.980 16.093 -11.641 1.00 0.00 O ATOM 0 H ASP A 50 -13.538 17.213 -8.618 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.951 15.843 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.778 17.975 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.898 17.155 -10.591 1.00 0.00 H new ATOM 813 N ALA A 51 -13.925 14.443 -10.232 1.00 0.00 N ATOM 814 CA ALA A 51 -13.598 13.253 -11.034 1.00 0.00 C ATOM 815 C ALA A 51 -13.002 12.127 -10.157 1.00 0.00 C ATOM 816 O ALA A 51 -12.624 11.069 -10.677 1.00 0.00 O ATOM 817 CB ALA A 51 -12.617 13.658 -12.151 1.00 0.00 C ATOM 0 H ALA A 51 -13.201 15.161 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.513 12.860 -11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.368 12.783 -12.751 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.080 14.414 -12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.708 14.064 -11.707 1.00 0.00 H new ATOM 823 N LYS A 52 -12.892 12.401 -8.828 1.00 0.00 N ATOM 824 CA LYS A 52 -12.416 11.444 -7.791 1.00 0.00 C ATOM 825 C LYS A 52 -10.950 11.018 -8.030 1.00 0.00 C ATOM 826 O LYS A 52 -10.488 9.976 -7.547 1.00 0.00 O ATOM 827 CB LYS A 52 -13.384 10.226 -7.666 1.00 0.00 C ATOM 828 CG LYS A 52 -14.862 10.635 -7.453 1.00 0.00 C ATOM 829 CD LYS A 52 -15.072 11.551 -6.220 1.00 0.00 C ATOM 830 CE LYS A 52 -16.491 12.138 -6.155 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.534 11.084 -6.081 1.00 0.00 N ATOM 0 H LYS A 52 -13.137 13.312 -8.440 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.427 11.959 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.309 9.618 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.064 9.601 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.222 11.149 -8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.468 9.736 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.876 10.982 -5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.347 12.365 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.573 12.789 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.666 12.758 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.470 11.528 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.508 10.509 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.355 10.476 -5.256 1.00 0.00 H new ATOM 845 N GLN A 53 -10.234 11.876 -8.768 1.00 0.00 N ATOM 846 CA GLN A 53 -8.806 11.748 -9.047 1.00 0.00 C ATOM 847 C GLN A 53 -7.980 12.077 -7.789 1.00 0.00 C ATOM 848 O GLN A 53 -6.941 11.457 -7.544 1.00 0.00 O ATOM 849 CB GLN A 53 -8.428 12.688 -10.223 1.00 0.00 C ATOM 850 CG GLN A 53 -9.161 12.391 -11.553 1.00 0.00 C ATOM 851 CD GLN A 53 -8.855 11.010 -12.146 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.751 10.477 -11.999 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.834 10.414 -12.813 1.00 0.00 N ATOM 0 H GLN A 53 -10.649 12.702 -9.199 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.582 10.720 -9.331 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.639 13.716 -9.930 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.354 12.619 -10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.235 12.473 -11.389 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.891 13.155 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.736 10.879 -12.918 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.685 9.491 -13.221 1.00 0.00 H new ATOM 862 N ILE A 54 -8.462 13.063 -7.001 1.00 0.00 N ATOM 863 CA ILE A 54 -7.860 13.464 -5.705 1.00 0.00 C ATOM 864 C ILE A 54 -8.969 13.715 -4.659 1.00 0.00 C ATOM 865 O ILE A 54 -10.138 13.910 -5.018 1.00 0.00 O ATOM 866 CB ILE A 54 -6.955 14.754 -5.837 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.738 15.907 -6.537 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.634 14.440 -6.568 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.953 17.188 -6.757 1.00 0.00 C ATOM 0 H ILE A 54 -9.287 13.610 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.221 12.643 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.695 15.089 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.093 15.548 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.620 16.139 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.035 15.347 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.080 13.684 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.852 14.066 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.588 17.924 -7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.621 17.581 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.086 16.980 -7.384 1.00 0.00 H new ATOM 881 N ALA A 55 -8.575 13.704 -3.369 1.00 0.00 N ATOM 882 CA ALA A 55 -9.479 13.925 -2.220 1.00 0.00 C ATOM 883 C ALA A 55 -9.565 15.437 -1.881 1.00 0.00 C ATOM 884 O ALA A 55 -8.555 16.153 -2.021 1.00 0.00 O ATOM 885 CB ALA A 55 -8.985 13.114 -0.999 1.00 0.00 C ATOM 0 H ALA A 55 -7.607 13.539 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.479 13.582 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.655 13.281 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.973 12.053 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.978 13.436 -0.732 1.00 0.00 H new ATOM 891 N PRO A 56 -10.760 15.946 -1.428 1.00 0.00 N ATOM 892 CA PRO A 56 -10.950 17.381 -1.112 1.00 0.00 C ATOM 893 C PRO A 56 -10.173 17.827 0.145 1.00 0.00 C ATOM 894 O PRO A 56 -10.328 17.261 1.235 1.00 0.00 O ATOM 895 CB PRO A 56 -12.483 17.506 -0.902 1.00 0.00 C ATOM 896 CG PRO A 56 -12.917 16.140 -0.467 1.00 0.00 C ATOM 897 CD PRO A 56 -12.021 15.170 -1.211 1.00 0.00 C ATOM 0 HA PRO A 56 -10.567 18.025 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.720 18.256 -0.148 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.986 17.808 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.813 16.021 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.966 15.967 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.840 14.266 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.466 14.858 -2.156 1.00 0.00 H new ATOM 905 N LEU A 57 -9.305 18.820 -0.048 1.00 0.00 N ATOM 906 CA LEU A 57 -8.640 19.550 1.037 1.00 0.00 C ATOM 907 C LEU A 57 -9.675 20.401 1.822 1.00 0.00 C ATOM 908 O LEU A 57 -10.620 20.925 1.212 1.00 0.00 O ATOM 909 CB LEU A 57 -7.551 20.478 0.432 1.00 0.00 C ATOM 910 CG LEU A 57 -6.437 19.769 -0.408 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.584 20.803 -1.177 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.551 18.854 0.479 1.00 0.00 C ATOM 0 H LEU A 57 -9.038 19.147 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.180 18.838 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.042 21.216 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.073 21.024 1.246 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.930 19.130 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.817 20.286 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.223 21.372 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.109 21.482 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.788 18.378 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.071 19.452 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.171 18.088 0.945 1.00 0.00 H new ATOM 924 N PRO A 58 -9.533 20.542 3.181 1.00 0.00 N ATOM 925 CA PRO A 58 -10.379 21.474 3.978 1.00 0.00 C ATOM 926 C PRO A 58 -10.081 22.945 3.619 1.00 0.00 C ATOM 927 O PRO A 58 -9.074 23.227 2.970 1.00 0.00 O ATOM 928 CB PRO A 58 -9.974 21.152 5.440 1.00 0.00 C ATOM 929 CG PRO A 58 -8.587 20.600 5.336 1.00 0.00 C ATOM 930 CD PRO A 58 -8.563 19.810 4.045 1.00 0.00 C ATOM 0 HA PRO A 58 -11.446 21.349 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.999 22.045 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.655 20.430 5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.846 21.400 5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.352 19.964 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.566 19.789 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.864 18.774 4.201 1.00 0.00 H new ATOM 938 N ASP A 59 -10.940 23.878 4.068 1.00 0.00 N ATOM 939 CA ASP A 59 -10.764 25.329 3.796 1.00 0.00 C ATOM 940 C ASP A 59 -9.468 25.886 4.429 1.00 0.00 C ATOM 941 O ASP A 59 -8.943 26.913 3.981 1.00 0.00 O ATOM 942 CB ASP A 59 -12.001 26.127 4.278 1.00 0.00 C ATOM 943 CG ASP A 59 -13.260 25.845 3.431 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.985 24.865 3.724 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.520 26.589 2.454 1.00 0.00 O ATOM 0 H ASP A 59 -11.767 23.659 4.623 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.670 25.449 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.206 25.878 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.776 27.193 4.243 1.00 0.00 H new ATOM 950 N SER A 60 -8.960 25.188 5.463 1.00 0.00 N ATOM 951 CA SER A 60 -7.665 25.504 6.093 1.00 0.00 C ATOM 952 C SER A 60 -6.487 25.119 5.158 1.00 0.00 C ATOM 953 O SER A 60 -5.480 25.833 5.091 1.00 0.00 O ATOM 954 CB SER A 60 -7.552 24.759 7.438 1.00 0.00 C ATOM 955 OG SER A 60 -8.654 25.059 8.288 1.00 0.00 O ATOM 0 H SER A 60 -9.436 24.390 5.884 1.00 0.00 H new ATOM 0 HA SER A 60 -7.612 26.578 6.271 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.510 23.685 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.622 25.037 7.933 1.00 0.00 H new ATOM 0 HG SER A 60 -8.557 24.572 9.133 1.00 0.00 H new ATOM 961 N LYS A 61 -6.629 23.983 4.433 1.00 0.00 N ATOM 962 CA LYS A 61 -5.610 23.508 3.468 1.00 0.00 C ATOM 963 C LYS A 61 -6.035 23.831 2.025 1.00 0.00 C ATOM 964 O LYS A 61 -5.478 23.290 1.073 1.00 0.00 O ATOM 965 CB LYS A 61 -5.362 21.981 3.645 1.00 0.00 C ATOM 966 CG LYS A 61 -4.892 21.572 5.060 1.00 0.00 C ATOM 967 CD LYS A 61 -3.596 22.296 5.498 1.00 0.00 C ATOM 968 CE LYS A 61 -3.262 22.061 6.977 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.047 22.807 7.398 1.00 0.00 N ATOM 0 H LYS A 61 -7.446 23.376 4.500 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.675 24.031 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.283 21.446 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.614 21.660 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.684 21.790 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.726 20.495 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.765 21.951 4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.703 23.366 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.107 22.368 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.111 20.995 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.856 22.621 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.234 22.497 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.199 23.826 7.257 1.00 0.00 H new ATOM 983 N LEU A 62 -7.031 24.714 1.864 1.00 0.00 N ATOM 984 CA LEU A 62 -7.420 25.238 0.544 1.00 0.00 C ATOM 985 C LEU A 62 -6.543 26.474 0.289 1.00 0.00 C ATOM 986 O LEU A 62 -6.950 27.622 0.503 1.00 0.00 O ATOM 987 CB LEU A 62 -8.957 25.553 0.479 1.00 0.00 C ATOM 988 CG LEU A 62 -9.687 25.217 -0.864 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.145 26.031 -2.053 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.633 23.702 -1.149 1.00 0.00 C ATOM 0 H LEU A 62 -7.586 25.083 2.636 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.256 24.499 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.451 25.005 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.096 26.614 0.686 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.730 25.509 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.687 25.758 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.279 27.095 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.084 25.818 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.146 23.490 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.594 23.383 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.121 23.162 -0.338 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.307 26.183 -0.109 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.222 27.156 -0.265 1.00 0.00 C ATOM 1004 C ASP A 63 -3.397 26.779 -1.495 1.00 0.00 C ATOM 1005 O ASP A 63 -3.242 25.589 -1.771 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.341 27.166 1.019 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.994 27.894 0.850 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.980 29.142 0.801 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.949 27.219 0.727 1.00 0.00 O ATOM 0 H ASP A 63 -5.021 25.232 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.627 28.158 -0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.899 27.640 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.150 26.137 1.324 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.827 27.800 -2.174 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.111 27.627 -3.445 1.00 0.00 C ATOM 1016 C GLY A 64 -1.061 26.515 -3.437 1.00 0.00 C ATOM 1017 O GLY A 64 -0.981 25.737 -4.385 1.00 0.00 O ATOM 0 H GLY A 64 -2.854 28.767 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.837 27.418 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.624 28.567 -3.704 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.296 26.417 -2.330 1.00 0.00 N ATOM 1022 CA ALA A 65 0.740 25.378 -2.156 1.00 0.00 C ATOM 1023 C ALA A 65 0.117 23.968 -2.108 1.00 0.00 C ATOM 1024 O ALA A 65 0.553 23.061 -2.824 1.00 0.00 O ATOM 1025 CB ALA A 65 1.549 25.645 -0.879 1.00 0.00 C ATOM 0 H ALA A 65 -0.378 27.052 -1.536 1.00 0.00 H new ATOM 0 HA ALA A 65 1.408 25.421 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.309 24.873 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.031 26.620 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.882 25.632 -0.017 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.927 23.820 -1.278 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.616 22.529 -1.050 1.00 0.00 C ATOM 1033 C ASN A 66 -2.331 22.032 -2.325 1.00 0.00 C ATOM 1034 O ASN A 66 -2.379 20.819 -2.585 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.641 22.665 0.098 1.00 0.00 C ATOM 1036 CG ASN A 66 -2.009 22.973 1.456 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.749 22.073 2.255 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.730 24.243 1.719 1.00 0.00 N ATOM 0 H ASN A 66 -1.323 24.592 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.856 21.796 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.348 23.456 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.212 21.739 0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.288 24.496 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.957 24.967 1.037 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.884 22.984 -3.107 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.556 22.698 -4.388 1.00 0.00 C ATOM 1047 C ILE A 67 -2.543 22.109 -5.392 1.00 0.00 C ATOM 1048 O ILE A 67 -2.769 21.044 -5.975 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.206 23.997 -5.010 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.260 24.642 -4.051 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.841 23.694 -6.384 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.474 23.785 -3.773 1.00 0.00 C ATOM 0 H ILE A 67 -2.876 23.975 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.351 21.979 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.402 24.720 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.773 24.876 -3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.591 25.587 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.281 24.605 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.074 23.326 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.616 22.937 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.147 24.315 -3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.991 23.572 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.161 22.849 -3.310 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.407 22.817 -5.538 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.303 22.429 -6.439 1.00 0.00 C ATOM 1066 C LYS A 68 0.286 21.067 -6.046 1.00 0.00 C ATOM 1067 O LYS A 68 0.690 20.284 -6.906 1.00 0.00 O ATOM 1068 CB LYS A 68 0.798 23.521 -6.410 1.00 0.00 C ATOM 1069 CG LYS A 68 0.375 24.843 -7.072 1.00 0.00 C ATOM 1070 CD LYS A 68 1.443 25.948 -6.975 1.00 0.00 C ATOM 1071 CE LYS A 68 0.983 27.257 -7.644 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.031 28.311 -7.582 1.00 0.00 N ATOM 0 H LYS A 68 -1.227 23.683 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.699 22.338 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.076 23.716 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.687 23.141 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.149 24.658 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.545 25.196 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.673 26.138 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.364 25.604 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.726 27.062 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.078 27.616 -7.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.682 29.175 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.258 28.516 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.887 27.979 -8.071 1.00 0.00 H new ATOM 1086 N HIS A 69 0.292 20.804 -4.732 1.00 0.00 N ATOM 1087 CA HIS A 69 0.817 19.558 -4.159 1.00 0.00 C ATOM 1088 C HIS A 69 -0.117 18.377 -4.500 1.00 0.00 C ATOM 1089 O HIS A 69 0.348 17.283 -4.820 1.00 0.00 O ATOM 1090 CB HIS A 69 0.988 19.725 -2.627 1.00 0.00 C ATOM 1091 CG HIS A 69 1.806 18.642 -1.974 1.00 0.00 C ATOM 1092 ND1 HIS A 69 3.186 18.619 -2.032 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.446 17.555 -1.253 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.638 17.571 -1.374 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.602 16.907 -0.896 1.00 0.00 N ATOM 0 H HIS A 69 -0.069 21.454 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 69 1.793 19.339 -4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.457 20.689 -2.428 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.002 19.749 -2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.766 19.308 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.439 17.254 -1.005 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.676 17.302 -1.248 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.439 18.636 -4.452 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.475 17.658 -4.858 1.00 0.00 C ATOM 1106 C ARG A 70 -2.285 17.247 -6.323 1.00 0.00 C ATOM 1107 O ARG A 70 -2.237 16.054 -6.644 1.00 0.00 O ATOM 1108 CB ARG A 70 -3.919 18.230 -4.631 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.558 17.857 -3.279 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.632 16.334 -3.088 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.436 15.949 -1.918 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.165 14.917 -1.106 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.031 14.229 -1.238 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.007 14.610 -0.138 1.00 0.00 N ATOM 0 H ARG A 70 -1.821 19.526 -4.132 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.362 16.774 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.881 19.316 -4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.566 17.874 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.978 18.298 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.561 18.281 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.058 15.880 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.623 15.936 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.262 16.509 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.360 14.486 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.834 13.446 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.859 15.157 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.806 13.826 0.483 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.149 18.265 -7.182 1.00 0.00 N ATOM 1129 CA LEU A 71 -1.961 18.085 -8.628 1.00 0.00 C ATOM 1130 C LEU A 71 -0.648 17.328 -8.929 1.00 0.00 C ATOM 1131 O LEU A 71 -0.584 16.494 -9.848 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.958 19.465 -9.341 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.205 20.389 -9.120 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.237 21.540 -10.143 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.529 19.601 -9.126 1.00 0.00 C ATOM 0 H LEU A 71 -2.166 19.243 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.791 17.488 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.072 20.011 -9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.852 19.292 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.101 20.823 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.114 22.162 -9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.336 22.144 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.285 21.129 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.361 20.287 -8.969 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.649 19.098 -10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.515 18.859 -8.327 1.00 0.00 H new ATOM 1147 N ALA A 72 0.379 17.626 -8.112 1.00 0.00 N ATOM 1148 CA ALA A 72 1.722 17.043 -8.241 1.00 0.00 C ATOM 1149 C ALA A 72 1.715 15.522 -8.032 1.00 0.00 C ATOM 1150 O ALA A 72 2.107 14.767 -8.924 1.00 0.00 O ATOM 1151 CB ALA A 72 2.677 17.710 -7.250 1.00 0.00 C ATOM 0 H ALA A 72 0.296 18.285 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 72 2.065 17.227 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.670 17.273 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.728 18.779 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.314 17.554 -6.234 1.00 0.00 H new ATOM 1157 N LEU A 73 1.255 15.076 -6.844 1.00 0.00 N ATOM 1158 CA LEU A 73 1.232 13.634 -6.496 1.00 0.00 C ATOM 1159 C LEU A 73 0.203 12.874 -7.341 1.00 0.00 C ATOM 1160 O LEU A 73 0.367 11.666 -7.574 1.00 0.00 O ATOM 1161 CB LEU A 73 0.985 13.390 -4.983 1.00 0.00 C ATOM 1162 CG LEU A 73 2.198 13.707 -4.050 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.402 15.218 -3.870 1.00 0.00 C ATOM 1164 CD2 LEU A 73 2.070 12.984 -2.698 1.00 0.00 C ATOM 0 H LEU A 73 0.896 15.688 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 73 2.224 13.245 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.136 13.997 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.701 12.347 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 73 3.092 13.324 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.255 15.394 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.589 15.678 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.507 15.656 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.930 13.226 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.156 13.306 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.033 11.907 -2.863 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.843 13.595 -7.803 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.843 13.037 -8.721 1.00 0.00 C ATOM 1178 C TRP A 74 -1.169 12.542 -10.012 1.00 0.00 C ATOM 1179 O TRP A 74 -1.252 11.361 -10.342 1.00 0.00 O ATOM 1180 CB TRP A 74 -2.942 14.076 -9.073 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.887 13.579 -10.140 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.775 12.557 -10.023 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -3.997 14.051 -11.489 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.417 12.355 -11.212 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -4.970 13.267 -12.120 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.375 15.067 -12.214 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.333 13.453 -13.444 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.735 15.256 -13.533 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.710 14.456 -14.133 1.00 0.00 C ATOM 0 H TRP A 74 -1.011 14.569 -7.550 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.318 12.198 -8.213 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.509 14.319 -8.174 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.470 14.999 -9.411 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -4.948 11.988 -9.122 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.119 11.637 -11.391 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.626 15.694 -11.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.079 12.830 -13.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.256 16.034 -14.109 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.978 14.634 -15.164 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.504 13.471 -10.724 1.00 0.00 N ATOM 1201 CA ILE A 75 0.106 13.182 -12.034 1.00 0.00 C ATOM 1202 C ILE A 75 1.358 12.292 -11.879 1.00 0.00 C ATOM 1203 O ILE A 75 1.700 11.530 -12.784 1.00 0.00 O ATOM 1204 CB ILE A 75 0.435 14.505 -12.826 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.821 14.204 -14.311 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.539 15.317 -12.125 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.247 13.478 -15.117 1.00 0.00 C ATOM 0 H ILE A 75 -0.376 14.433 -10.411 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.626 12.628 -12.622 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.472 15.110 -12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.053 15.146 -14.809 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.732 13.605 -14.320 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.743 16.223 -12.696 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.211 15.587 -11.121 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.447 14.717 -12.061 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.112 13.314 -16.133 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.465 12.518 -14.650 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.154 14.082 -15.146 1.00 0.00 H new ATOM 1219 N HIS A 76 2.002 12.366 -10.698 1.00 0.00 N ATOM 1220 CA HIS A 76 3.161 11.514 -10.358 1.00 0.00 C ATOM 1221 C HIS A 76 2.719 10.039 -10.272 1.00 0.00 C ATOM 1222 O HIS A 76 3.465 9.133 -10.638 1.00 0.00 O ATOM 1223 CB HIS A 76 3.792 11.977 -9.020 1.00 0.00 C ATOM 1224 CG HIS A 76 5.157 11.411 -8.732 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.493 10.825 -7.530 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.284 11.383 -9.488 1.00 0.00 C ATOM 1227 CE1 HIS A 76 6.763 10.480 -7.555 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.263 10.803 -8.732 1.00 0.00 N ATOM 0 H HIS A 76 1.736 13.014 -9.956 1.00 0.00 H new ATOM 0 HA HIS A 76 3.914 11.606 -11.140 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.860 13.065 -9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.122 11.703 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.387 11.751 -10.498 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.305 10.011 -6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.226 10.645 -9.030 1.00 0.00 H new ATOM 1237 N ALA A 77 1.492 9.826 -9.766 1.00 0.00 N ATOM 1238 CA ALA A 77 0.844 8.500 -9.744 1.00 0.00 C ATOM 1239 C ALA A 77 0.205 8.153 -11.111 1.00 0.00 C ATOM 1240 O ALA A 77 0.210 6.987 -11.527 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.216 8.469 -8.632 1.00 0.00 C ATOM 0 H ALA A 77 0.920 10.567 -9.360 1.00 0.00 H new ATOM 0 HA ALA A 77 1.607 7.748 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.696 7.490 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.260 8.657 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.965 9.237 -8.822 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.325 9.182 -11.802 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.115 9.018 -13.049 1.00 0.00 C ATOM 1249 C ALA A 78 -0.254 8.504 -14.208 1.00 0.00 C ATOM 1250 O ALA A 78 -0.720 7.696 -15.025 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.808 10.338 -13.434 1.00 0.00 C ATOM 0 H ALA A 78 -0.220 10.155 -11.514 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.880 8.267 -12.851 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.381 10.194 -14.350 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.478 10.645 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.056 11.111 -13.594 1.00 0.00 H new ATOM 1257 N LEU A 79 0.997 8.992 -14.282 1.00 0.00 N ATOM 1258 CA LEU A 79 1.997 8.466 -15.221 1.00 0.00 C ATOM 1259 C LEU A 79 2.327 7.004 -14.827 1.00 0.00 C ATOM 1260 O LEU A 79 2.644 6.756 -13.658 1.00 0.00 O ATOM 1261 CB LEU A 79 3.281 9.346 -15.212 1.00 0.00 C ATOM 1262 CG LEU A 79 3.097 10.851 -15.615 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.453 11.587 -15.646 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.350 11.002 -16.962 1.00 0.00 C ATOM 0 H LEU A 79 1.339 9.755 -13.697 1.00 0.00 H new ATOM 0 HA LEU A 79 1.595 8.489 -16.234 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.713 9.310 -14.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.008 8.897 -15.889 1.00 0.00 H new ATOM 0 HG LEU A 79 2.476 11.316 -14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.296 12.628 -15.928 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.913 11.544 -14.659 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.110 11.109 -16.373 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.244 12.060 -17.203 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.916 10.505 -17.750 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.362 10.547 -16.883 1.00 0.00 H new ATOM 1276 N PRO A 80 2.243 6.016 -15.780 1.00 0.00 N ATOM 1277 CA PRO A 80 2.401 4.568 -15.452 1.00 0.00 C ATOM 1278 C PRO A 80 3.838 4.214 -15.002 1.00 0.00 C ATOM 1279 O PRO A 80 4.051 3.267 -14.235 1.00 0.00 O ATOM 1280 CB PRO A 80 2.018 3.865 -16.781 1.00 0.00 C ATOM 1281 CG PRO A 80 2.328 4.874 -17.845 1.00 0.00 C ATOM 1282 CD PRO A 80 2.001 6.221 -17.238 1.00 0.00 C ATOM 0 HA PRO A 80 1.783 4.259 -14.609 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.591 2.949 -16.924 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.964 3.587 -16.793 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.376 4.822 -18.141 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.734 4.694 -18.741 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.637 7.008 -17.643 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.969 6.510 -17.436 1.00 0.00 H new ATOM 1290 N ASP A 81 4.808 5.001 -15.492 1.00 0.00 N ATOM 1291 CA ASP A 81 6.234 4.868 -15.133 1.00 0.00 C ATOM 1292 C ASP A 81 6.558 5.682 -13.867 1.00 0.00 C ATOM 1293 O ASP A 81 7.671 5.585 -13.334 1.00 0.00 O ATOM 1294 CB ASP A 81 7.123 5.336 -16.314 1.00 0.00 C ATOM 1295 CG ASP A 81 6.852 4.554 -17.609 1.00 0.00 C ATOM 1296 OD1 ASP A 81 5.975 4.975 -18.404 1.00 0.00 O ATOM 1297 OD2 ASP A 81 7.496 3.509 -17.826 1.00 0.00 O ATOM 0 H ASP A 81 4.626 5.755 -16.154 1.00 0.00 H new ATOM 0 HA ASP A 81 6.441 3.818 -14.925 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.952 6.397 -16.493 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.172 5.224 -16.040 1.00 0.00 H new ATOM 1302 N ASN A 82 5.565 6.490 -13.414 1.00 0.00 N ATOM 1303 CA ASN A 82 5.651 7.340 -12.201 1.00 0.00 C ATOM 1304 C ASN A 82 6.832 8.330 -12.297 1.00 0.00 C ATOM 1305 O ASN A 82 7.505 8.637 -11.306 1.00 0.00 O ATOM 1306 CB ASN A 82 5.706 6.455 -10.916 1.00 0.00 C ATOM 1307 CG ASN A 82 4.462 5.565 -10.729 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.563 4.414 -10.307 1.00 0.00 O ATOM 1309 ND2 ASN A 82 3.277 6.103 -10.985 1.00 0.00 N ATOM 0 H ASN A 82 4.667 6.569 -13.891 1.00 0.00 H new ATOM 0 HA ASN A 82 4.748 7.947 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.593 5.822 -10.958 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.816 7.100 -10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.427 5.560 -10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.216 7.059 -11.334 1.00 0.00 H new ATOM 1316 N ASP A 83 7.017 8.850 -13.525 1.00 0.00 N ATOM 1317 CA ASP A 83 8.146 9.721 -13.928 1.00 0.00 C ATOM 1318 C ASP A 83 8.204 11.014 -13.061 1.00 0.00 C ATOM 1319 O ASP A 83 7.147 11.539 -12.701 1.00 0.00 O ATOM 1320 CB ASP A 83 7.973 10.048 -15.445 1.00 0.00 C ATOM 1321 CG ASP A 83 9.184 10.750 -16.090 1.00 0.00 C ATOM 1322 OD1 ASP A 83 10.186 10.064 -16.390 1.00 0.00 O ATOM 1323 OD2 ASP A 83 9.146 11.980 -16.298 1.00 0.00 O ATOM 0 H ASP A 83 6.367 8.672 -14.290 1.00 0.00 H new ATOM 0 HA ASP A 83 9.094 9.208 -13.766 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.777 9.121 -15.984 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.094 10.680 -15.569 1.00 0.00 H new ATOM 1328 N PRO A 84 9.430 11.523 -12.669 1.00 0.00 N ATOM 1329 CA PRO A 84 9.571 12.759 -11.844 1.00 0.00 C ATOM 1330 C PRO A 84 9.438 14.064 -12.666 1.00 0.00 C ATOM 1331 O PRO A 84 9.483 15.165 -12.099 1.00 0.00 O ATOM 1332 CB PRO A 84 10.995 12.602 -11.256 1.00 0.00 C ATOM 1333 CG PRO A 84 11.758 11.896 -12.336 1.00 0.00 C ATOM 1334 CD PRO A 84 10.770 10.929 -12.971 1.00 0.00 C ATOM 0 HA PRO A 84 8.785 12.851 -11.095 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.439 13.570 -11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.984 12.024 -10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.142 12.603 -13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.617 11.365 -11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.934 10.840 -14.045 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.866 9.928 -12.550 1.00 0.00 H new ATOM 1342 N LEU A 85 9.289 13.907 -14.004 1.00 0.00 N ATOM 1343 CA LEU A 85 9.156 15.008 -14.992 1.00 0.00 C ATOM 1344 C LEU A 85 10.432 15.843 -15.141 1.00 0.00 C ATOM 1345 O LEU A 85 10.414 16.863 -15.821 1.00 0.00 O ATOM 1346 CB LEU A 85 7.922 15.917 -14.725 1.00 0.00 C ATOM 1347 CG LEU A 85 6.538 15.261 -15.003 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.124 14.274 -13.903 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.469 16.328 -15.225 1.00 0.00 C ATOM 0 H LEU A 85 9.257 12.985 -14.439 1.00 0.00 H new ATOM 0 HA LEU A 85 8.989 14.508 -15.946 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.949 16.241 -13.685 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.011 16.812 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 85 6.637 14.678 -15.919 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.152 13.845 -14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.864 13.477 -13.832 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.061 14.798 -12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.510 15.847 -15.418 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.389 16.954 -14.336 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.744 16.946 -16.080 1.00 0.00 H new ATOM 1361 N LYS A 86 11.530 15.367 -14.554 1.00 0.00 N ATOM 1362 CA LYS A 86 12.827 16.061 -14.550 1.00 0.00 C ATOM 1363 C LYS A 86 13.361 16.253 -16.004 1.00 0.00 C ATOM 1364 O LYS A 86 13.727 15.248 -16.648 1.00 0.00 O ATOM 1365 CB LYS A 86 13.820 15.253 -13.672 1.00 0.00 C ATOM 1366 CG LYS A 86 15.263 15.808 -13.632 1.00 0.00 C ATOM 1367 CD LYS A 86 16.224 14.893 -12.837 1.00 0.00 C ATOM 1368 CE LYS A 86 16.281 13.456 -13.401 1.00 0.00 C ATOM 1369 NZ LYS A 86 17.163 12.583 -12.596 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.392 17.411 -16.493 1.00 0.00 O ATOM 0 H LYS A 86 11.548 14.475 -14.059 1.00 0.00 H new ATOM 0 HA LYS A 86 12.712 17.059 -14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.433 15.216 -12.654 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.852 14.227 -14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.634 15.922 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.255 16.801 -13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.225 15.324 -12.851 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.907 14.858 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.276 13.035 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.639 13.484 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.174 11.628 -13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.128 12.971 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.808 12.536 -11.620 1.00 0.00 H new