USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 844 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 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 CYS SG : rot 180:sc= -0.651 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -2! USER MOD Set 3.1: A 50 ASN : amide:sc= -0.714 K(o=0.048,f=-2.5) USER MOD Set 3.2: A 52 THR OG1 : rot 88:sc= 0.762 USER MOD Set 4.1: A 43 HIS : no HE2:sc= -4.08! C(o=-4.6!,f=-5.6!) USER MOD Set 4.2: A 45 GLN :FLIP amide:sc= -0.473 F(o=-5.1,f=-4.6) USER MOD Set 5.1: A 16 ASN : amide:sc= -7.09! C(o=-7.2!,f=-14!) USER MOD Set 5.2: A 94 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -4.84! (180deg=-4.89!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.905 USER MOD Single : A 32 SER OG : rot 31:sc= 0.424 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -7.9! C(o=-7.9!,f=-9.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.45 K(o=-1.4,f=-5.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -14:sc= 0.0313 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0033 F(o=-0.76,f=-0.0033) USER MOD Single : A 76 SER OG : rot -135:sc= -0.0658 USER MOD Single : A 80 MET CE :methyl -152:sc= -3.62! (180deg=-4.65!) USER MOD Single : A 89 THR OG1 : rot 48:sc= 0.162 USER MOD Single : A 92 SER OG : rot -103:sc= 0.173 USER MOD Single : A 93 LYS NZ :NH3+ -133:sc= -0.31 (180deg=-1.51) USER MOD Single : A 95 CYS SG : rot 68:sc= -0.452 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.315 F(o=-1.1,f=-0.32) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.351 -11.775 3.829 1.00 0.00 N ATOM 121 CA LEU A 11 -7.309 -11.721 2.730 1.00 0.00 C ATOM 122 C LEU A 11 -6.600 -11.831 1.384 1.00 0.00 C ATOM 123 O LEU A 11 -5.548 -11.228 1.174 1.00 0.00 O ATOM 124 CB LEU A 11 -8.112 -10.420 2.791 1.00 0.00 C ATOM 125 CG LEU A 11 -8.984 -10.112 1.574 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.190 -9.278 1.978 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.173 -9.396 0.504 1.00 0.00 C ATOM 0 HA LEU A 11 -7.990 -12.566 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.752 -10.453 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.416 -9.593 2.933 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.342 -11.055 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.799 -9.069 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.784 -9.827 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.853 -8.339 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.810 -9.185 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.785 -8.460 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.342 -10.029 0.193 1.00 0.00 H new ATOM 139 N ASP A 12 -7.185 -12.604 0.475 1.00 0.00 N ATOM 140 CA ASP A 12 -6.612 -12.791 -0.853 1.00 0.00 C ATOM 141 C ASP A 12 -7.266 -11.854 -1.864 1.00 0.00 C ATOM 142 O ASP A 12 -8.353 -12.134 -2.371 1.00 0.00 O ATOM 143 CB ASP A 12 -6.776 -14.243 -1.303 1.00 0.00 C ATOM 144 CG ASP A 12 -5.874 -15.192 -0.538 1.00 0.00 C ATOM 145 OD1 ASP A 12 -5.735 -15.017 0.690 1.00 0.00 O ATOM 146 OD2 ASP A 12 -5.306 -16.108 -1.169 1.00 0.00 O ATOM 0 H ASP A 12 -8.056 -13.111 0.634 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.549 -12.554 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.814 -14.547 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.557 -14.317 -2.368 1.00 0.00 H new ATOM 151 N ILE A 13 -6.598 -10.743 -2.152 1.00 0.00 N ATOM 152 CA ILE A 13 -7.115 -9.766 -3.102 1.00 0.00 C ATOM 153 C ILE A 13 -7.189 -10.352 -4.508 1.00 0.00 C ATOM 154 O ILE A 13 -8.181 -10.173 -5.216 1.00 0.00 O ATOM 155 CB ILE A 13 -6.244 -8.495 -3.133 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.210 -7.840 -1.751 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.769 -7.519 -4.176 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.123 -6.799 -1.602 1.00 0.00 C ATOM 0 H ILE A 13 -5.697 -10.497 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.118 -9.501 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.227 -8.775 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.176 -7.375 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.068 -8.612 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.144 -6.626 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.746 -7.990 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.794 -7.241 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.159 -6.377 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.150 -7.263 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.276 -6.006 -2.334 1.00 0.00 H new ATOM 170 N LEU A 14 -6.134 -11.055 -4.906 1.00 0.00 N ATOM 171 CA LEU A 14 -6.080 -11.671 -6.227 1.00 0.00 C ATOM 172 C LEU A 14 -6.642 -13.088 -6.191 1.00 0.00 C ATOM 173 O LEU A 14 -7.189 -13.576 -7.179 1.00 0.00 O ATOM 174 CB LEU A 14 -4.639 -11.695 -6.741 1.00 0.00 C ATOM 175 CG LEU A 14 -3.977 -10.331 -6.946 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.511 -10.500 -7.315 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.711 -9.538 -8.018 1.00 0.00 C ATOM 0 H LEU A 14 -5.305 -11.212 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.692 -11.075 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.034 -12.269 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.622 -12.231 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.033 -9.776 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.056 -9.520 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.993 -11.028 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.432 -11.074 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.227 -8.571 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.686 -10.088 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.747 -9.386 -7.713 1.00 0.00 H new ATOM 189 N GLY A 15 -6.505 -13.745 -5.043 1.00 0.00 N ATOM 190 CA GLY A 15 -7.006 -15.099 -4.898 1.00 0.00 C ATOM 191 C GLY A 15 -5.894 -16.129 -4.870 1.00 0.00 C ATOM 192 O GLY A 15 -6.007 -17.155 -4.201 1.00 0.00 O ATOM 0 H GLY A 15 -6.056 -13.363 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.587 -15.171 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.683 -15.323 -5.722 1.00 0.00 H new ATOM 196 N ASN A 16 -4.817 -15.855 -5.599 1.00 0.00 N ATOM 197 CA ASN A 16 -3.681 -16.767 -5.656 1.00 0.00 C ATOM 198 C ASN A 16 -3.056 -16.945 -4.276 1.00 0.00 C ATOM 199 O ASN A 16 -2.904 -18.066 -3.791 1.00 0.00 O ATOM 200 CB ASN A 16 -2.631 -16.247 -6.640 1.00 0.00 C ATOM 201 CG ASN A 16 -2.621 -14.732 -6.727 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.591 -14.118 -7.170 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.520 -14.123 -6.302 1.00 0.00 N ATOM 0 H ASN A 16 -4.707 -15.009 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.043 -17.736 -5.999 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.645 -16.597 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.825 -16.664 -7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.455 -13.106 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.740 -14.673 -5.942 1.00 0.00 H new ATOM 210 N GLY A 17 -2.696 -15.830 -3.647 1.00 0.00 N ATOM 211 CA GLY A 17 -2.093 -15.884 -2.328 1.00 0.00 C ATOM 212 C GLY A 17 -0.962 -14.888 -2.167 1.00 0.00 C ATOM 213 O GLY A 17 -0.576 -14.551 -1.046 1.00 0.00 O ATOM 0 H GLY A 17 -2.811 -14.891 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.856 -15.688 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.716 -16.890 -2.145 1.00 0.00 H new ATOM 217 N LEU A 18 -0.427 -14.416 -3.287 1.00 0.00 N ATOM 218 CA LEU A 18 0.668 -13.453 -3.266 1.00 0.00 C ATOM 219 C LEU A 18 0.220 -12.131 -2.650 1.00 0.00 C ATOM 220 O LEU A 18 0.631 -11.778 -1.544 1.00 0.00 O ATOM 221 CB LEU A 18 1.193 -13.216 -4.683 1.00 0.00 C ATOM 222 CG LEU A 18 2.184 -14.252 -5.214 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.237 -14.571 -4.163 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.455 -15.517 -5.642 1.00 0.00 C ATOM 0 H LEU A 18 -0.734 -14.685 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 18 1.469 -13.865 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.342 -13.176 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.671 -12.237 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 18 2.686 -13.833 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.934 -15.310 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.780 -13.662 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.752 -14.970 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.176 -16.243 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.926 -15.939 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.740 -15.276 -6.428 1.00 0.00 H new ATOM 236 N LEU A 19 -0.628 -11.406 -3.371 1.00 0.00 N ATOM 237 CA LEU A 19 -1.135 -10.124 -2.895 1.00 0.00 C ATOM 238 C LEU A 19 -2.208 -10.324 -1.830 1.00 0.00 C ATOM 239 O LEU A 19 -3.326 -10.742 -2.132 1.00 0.00 O ATOM 240 CB LEU A 19 -1.703 -9.313 -4.061 1.00 0.00 C ATOM 241 CG LEU A 19 -2.237 -7.922 -3.714 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.114 -7.030 -3.210 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.918 -7.296 -4.923 1.00 0.00 C ATOM 0 H LEU A 19 -0.979 -11.684 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.305 -9.576 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.924 -9.203 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.510 -9.887 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.976 -8.024 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.513 -6.045 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.671 -7.472 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.352 -6.933 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.292 -6.307 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.201 -7.206 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.750 -7.926 -5.239 1.00 0.00 H new ATOM 255 N ARG A 20 -1.861 -10.022 -0.583 1.00 0.00 N ATOM 256 CA ARG A 20 -2.795 -10.168 0.527 1.00 0.00 C ATOM 257 C ARG A 20 -3.058 -8.823 1.197 1.00 0.00 C ATOM 258 O ARG A 20 -2.328 -7.855 0.980 1.00 0.00 O ATOM 259 CB ARG A 20 -2.249 -11.163 1.553 1.00 0.00 C ATOM 260 CG ARG A 20 -1.962 -12.539 0.975 1.00 0.00 C ATOM 261 CD ARG A 20 -0.962 -13.304 1.827 1.00 0.00 C ATOM 262 NE ARG A 20 -1.617 -14.068 2.886 1.00 0.00 N ATOM 263 CZ ARG A 20 -2.365 -15.142 2.662 1.00 0.00 C ATOM 264 NH1 ARG A 20 -2.552 -15.577 1.423 1.00 0.00 N ATOM 265 NH2 ARG A 20 -2.928 -15.784 3.678 1.00 0.00 N ATOM 0 H ARG A 20 -0.940 -9.675 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.737 -10.546 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.332 -10.761 1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.967 -11.263 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.890 -13.106 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.574 -12.435 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.389 -13.981 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.253 -12.604 2.270 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.493 -13.760 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.121 -15.086 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.127 -16.402 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.786 -15.452 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.502 -16.609 3.505 1.00 0.00 H new ATOM 279 N LYS A 21 -4.106 -8.768 2.012 1.00 0.00 N ATOM 280 CA LYS A 21 -4.467 -7.543 2.715 1.00 0.00 C ATOM 281 C LYS A 21 -4.738 -7.821 4.190 1.00 0.00 C ATOM 282 O LYS A 21 -5.380 -8.812 4.538 1.00 0.00 O ATOM 283 CB LYS A 21 -5.700 -6.905 2.070 1.00 0.00 C ATOM 284 CG LYS A 21 -6.089 -5.573 2.689 1.00 0.00 C ATOM 285 CD LYS A 21 -7.449 -5.106 2.197 1.00 0.00 C ATOM 286 CE LYS A 21 -7.542 -5.164 0.680 1.00 0.00 C ATOM 287 NZ LYS A 21 -6.595 -4.216 0.029 1.00 0.00 N ATOM 0 H LYS A 21 -4.721 -9.559 2.202 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.628 -6.852 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.510 -6.760 1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.541 -7.594 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.106 -5.666 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.336 -4.824 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.229 -5.729 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.629 -4.085 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.330 -6.178 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.560 -4.931 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.500 -4.457 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.957 -3.246 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.665 -4.283 0.490 1.00 0.00 H new ATOM 301 N LYS A 22 -4.245 -6.940 5.053 1.00 0.00 N ATOM 302 CA LYS A 22 -4.436 -7.088 6.491 1.00 0.00 C ATOM 303 C LYS A 22 -4.846 -5.763 7.125 1.00 0.00 C ATOM 304 O LYS A 22 -4.001 -4.917 7.424 1.00 0.00 O ATOM 305 CB LYS A 22 -3.152 -7.603 7.146 1.00 0.00 C ATOM 306 CG LYS A 22 -3.181 -7.554 8.664 1.00 0.00 C ATOM 307 CD LYS A 22 -1.886 -8.073 9.264 1.00 0.00 C ATOM 308 CE LYS A 22 -1.574 -7.396 10.590 1.00 0.00 C ATOM 309 NZ LYS A 22 -2.128 -8.156 11.744 1.00 0.00 N ATOM 0 H LYS A 22 -3.710 -6.115 4.782 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.235 -7.811 6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.979 -8.631 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.309 -7.012 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.350 -6.528 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.017 -8.148 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.959 -9.150 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.067 -7.903 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.494 -7.299 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.986 -6.387 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.894 -7.662 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.161 -8.227 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.716 -9.111 11.761 1.00 0.00 H new ATOM 323 N THR A 23 -6.148 -5.588 7.331 1.00 0.00 N ATOM 324 CA THR A 23 -6.669 -4.366 7.930 1.00 0.00 C ATOM 325 C THR A 23 -6.067 -4.129 9.310 1.00 0.00 C ATOM 326 O THR A 23 -6.348 -4.867 10.256 1.00 0.00 O ATOM 327 CB THR A 23 -8.204 -4.411 8.053 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.789 -4.703 6.779 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.745 -3.089 8.574 1.00 0.00 C ATOM 0 H THR A 23 -6.861 -6.277 7.092 1.00 0.00 H new ATOM 0 HA THR A 23 -6.388 -3.546 7.269 1.00 0.00 H new ATOM 0 HB THR A 23 -8.466 -5.196 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.765 -4.732 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.831 -3.146 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.321 -2.884 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.472 -2.288 7.887 1.00 0.00 H new ATOM 337 N LEU A 24 -5.238 -3.097 9.419 1.00 0.00 N ATOM 338 CA LEU A 24 -4.596 -2.762 10.686 1.00 0.00 C ATOM 339 C LEU A 24 -5.526 -1.935 11.566 1.00 0.00 C ATOM 340 O LEU A 24 -5.638 -2.176 12.768 1.00 0.00 O ATOM 341 CB LEU A 24 -3.297 -1.995 10.434 1.00 0.00 C ATOM 342 CG LEU A 24 -2.301 -2.655 9.479 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.113 -1.739 9.230 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.837 -3.994 10.034 1.00 0.00 C ATOM 0 H LEU A 24 -4.994 -2.478 8.646 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.367 -3.692 11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.550 -1.011 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.801 -1.836 11.391 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.802 -2.833 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.415 -2.225 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.460 -0.805 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.611 -1.529 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.129 -4.449 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.353 -3.840 10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.696 -4.653 10.160 1.00 0.00 H new ATOM 356 N VAL A 25 -6.195 -0.960 10.959 1.00 0.00 N ATOM 357 CA VAL A 25 -7.119 -0.098 11.687 1.00 0.00 C ATOM 358 C VAL A 25 -8.319 0.274 10.824 1.00 0.00 C ATOM 359 O VAL A 25 -8.213 1.045 9.869 1.00 0.00 O ATOM 360 CB VAL A 25 -6.426 1.191 12.167 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.427 2.118 12.838 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.279 0.859 13.109 1.00 0.00 C ATOM 0 H VAL A 25 -6.114 -0.747 9.965 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.460 -0.662 12.555 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.016 1.707 11.299 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.919 3.023 13.170 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.211 2.382 12.128 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.870 1.614 13.697 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.800 1.781 13.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.664 0.320 13.975 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.550 0.237 12.589 1.00 0.00 H new ATOM 372 N PRO A 26 -9.490 -0.284 11.165 1.00 0.00 N ATOM 373 CA PRO A 26 -10.734 -0.024 10.434 1.00 0.00 C ATOM 374 C PRO A 26 -11.241 1.400 10.640 1.00 0.00 C ATOM 375 O PRO A 26 -11.034 1.996 11.696 1.00 0.00 O ATOM 376 CB PRO A 26 -11.716 -1.033 11.035 1.00 0.00 C ATOM 377 CG PRO A 26 -11.186 -1.310 12.400 1.00 0.00 C ATOM 378 CD PRO A 26 -9.690 -1.211 12.292 1.00 0.00 C ATOM 0 HA PRO A 26 -10.602 -0.126 9.357 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.726 -0.625 11.078 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.764 -1.943 10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.573 -0.591 13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.488 -2.300 12.742 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.245 -0.829 13.211 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.236 -2.183 12.098 1.00 0.00 H new ATOM 386 N GLY A 27 -11.906 1.939 9.623 1.00 0.00 N ATOM 387 CA GLY A 27 -12.433 3.288 9.713 1.00 0.00 C ATOM 388 C GLY A 27 -13.859 3.321 10.225 1.00 0.00 C ATOM 389 O GLY A 27 -14.498 2.286 10.414 1.00 0.00 O ATOM 0 H GLY A 27 -12.089 1.466 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.799 3.879 10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.392 3.757 8.730 1.00 0.00 H new ATOM 393 N PRO A 28 -14.379 4.535 10.460 1.00 0.00 N ATOM 394 CA PRO A 28 -15.744 4.728 10.958 1.00 0.00 C ATOM 395 C PRO A 28 -16.798 4.371 9.915 1.00 0.00 C ATOM 396 O PRO A 28 -16.503 4.205 8.731 1.00 0.00 O ATOM 397 CB PRO A 28 -15.797 6.224 11.280 1.00 0.00 C ATOM 398 CG PRO A 28 -14.767 6.838 10.395 1.00 0.00 C ATOM 399 CD PRO A 28 -13.675 5.813 10.257 1.00 0.00 C ATOM 0 HA PRO A 28 -15.960 4.086 11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.786 6.637 11.082 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.578 6.411 12.331 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.189 7.092 9.423 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.382 7.762 10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.202 5.860 9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.889 5.961 10.998 1.00 0.00 H new ATOM 407 N PRO A 29 -18.057 4.249 10.362 1.00 0.00 N ATOM 408 CA PRO A 29 -19.180 3.910 9.482 1.00 0.00 C ATOM 409 C PRO A 29 -19.526 5.044 8.522 1.00 0.00 C ATOM 410 O PRO A 29 -20.334 4.873 7.610 1.00 0.00 O ATOM 411 CB PRO A 29 -20.333 3.665 10.458 1.00 0.00 C ATOM 412 CG PRO A 29 -19.982 4.460 11.668 1.00 0.00 C ATOM 413 CD PRO A 29 -18.481 4.432 11.760 1.00 0.00 C ATOM 0 HA PRO A 29 -18.955 3.056 8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.285 3.987 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.432 2.606 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.349 5.483 11.583 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.436 4.032 12.562 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.087 5.357 12.182 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.132 3.618 12.395 1.00 0.00 H new ATOM 421 N GLY A 30 -18.909 6.202 8.734 1.00 0.00 N ATOM 422 CA GLY A 30 -19.165 7.346 7.879 1.00 0.00 C ATOM 423 C GLY A 30 -18.335 7.320 6.611 1.00 0.00 C ATOM 424 O GLY A 30 -18.873 7.392 5.507 1.00 0.00 O ATOM 0 H GLY A 30 -18.236 6.368 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.223 7.370 7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.952 8.262 8.430 1.00 0.00 H new ATOM 428 N SER A 31 -17.019 7.218 6.769 1.00 0.00 N ATOM 429 CA SER A 31 -16.112 7.189 5.628 1.00 0.00 C ATOM 430 C SER A 31 -16.454 6.033 4.692 1.00 0.00 C ATOM 431 O SER A 31 -17.266 5.170 5.025 1.00 0.00 O ATOM 432 CB SER A 31 -14.663 7.062 6.104 1.00 0.00 C ATOM 433 OG SER A 31 -14.491 7.658 7.378 1.00 0.00 O ATOM 0 H SER A 31 -16.557 7.154 7.676 1.00 0.00 H new ATOM 0 HA SER A 31 -16.227 8.124 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.383 6.010 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.997 7.537 5.384 1.00 0.00 H new ATOM 0 HG SER A 31 -13.558 7.562 7.661 1.00 0.00 H new ATOM 439 N SER A 32 -15.828 6.025 3.519 1.00 0.00 N ATOM 440 CA SER A 32 -16.068 4.978 2.533 1.00 0.00 C ATOM 441 C SER A 32 -14.874 4.832 1.595 1.00 0.00 C ATOM 442 O SER A 32 -13.937 5.630 1.635 1.00 0.00 O ATOM 443 CB SER A 32 -17.330 5.289 1.725 1.00 0.00 C ATOM 444 OG SER A 32 -18.485 4.781 2.370 1.00 0.00 O ATOM 0 H SER A 32 -15.152 6.731 3.229 1.00 0.00 H new ATOM 0 HA SER A 32 -16.208 4.037 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.426 6.367 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.245 4.854 0.729 1.00 0.00 H new ATOM 0 HG SER A 32 -18.349 4.793 3.341 1.00 0.00 H new ATOM 450 N ARG A 33 -14.914 3.806 0.751 1.00 0.00 N ATOM 451 CA ARG A 33 -13.836 3.553 -0.197 1.00 0.00 C ATOM 452 C ARG A 33 -13.778 4.647 -1.259 1.00 0.00 C ATOM 453 O ARG A 33 -14.801 5.162 -1.712 1.00 0.00 O ATOM 454 CB ARG A 33 -14.024 2.189 -0.864 1.00 0.00 C ATOM 455 CG ARG A 33 -14.045 1.029 0.118 1.00 0.00 C ATOM 456 CD ARG A 33 -13.543 -0.254 -0.526 1.00 0.00 C ATOM 457 NE ARG A 33 -14.627 -1.027 -1.125 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.572 -2.339 -1.324 1.00 0.00 C ATOM 459 NH1 ARG A 33 -13.490 -3.021 -0.974 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.600 -2.972 -1.875 1.00 0.00 N ATOM 0 H ARG A 33 -15.682 3.136 0.705 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.895 3.554 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.958 2.195 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.220 2.031 -1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.426 1.271 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.060 0.880 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.806 -0.011 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.036 -0.861 0.224 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.473 -0.532 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.697 -2.538 -0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.450 -4.029 -1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.434 -2.451 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.556 -3.980 -2.027 1.00 0.00 H new ATOM 474 N PRO A 34 -12.553 5.011 -1.668 1.00 0.00 N ATOM 475 CA PRO A 34 -12.332 6.047 -2.681 1.00 0.00 C ATOM 476 C PRO A 34 -12.770 5.600 -4.072 1.00 0.00 C ATOM 477 O PRO A 34 -13.366 4.535 -4.234 1.00 0.00 O ATOM 478 CB PRO A 34 -10.818 6.265 -2.641 1.00 0.00 C ATOM 479 CG PRO A 34 -10.264 4.981 -2.128 1.00 0.00 C ATOM 480 CD PRO A 34 -11.290 4.440 -1.172 1.00 0.00 C ATOM 0 HA PRO A 34 -12.911 6.947 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.425 6.498 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.555 7.098 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.083 4.281 -2.943 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.309 5.140 -1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.311 3.350 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.085 4.748 -0.147 1.00 0.00 H new ATOM 488 N VAL A 35 -12.471 6.421 -5.074 1.00 0.00 N ATOM 489 CA VAL A 35 -12.832 6.110 -6.451 1.00 0.00 C ATOM 490 C VAL A 35 -11.596 6.038 -7.341 1.00 0.00 C ATOM 491 O VAL A 35 -10.566 6.644 -7.043 1.00 0.00 O ATOM 492 CB VAL A 35 -13.805 7.156 -7.027 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.378 8.560 -6.626 1.00 0.00 C ATOM 494 CG2 VAL A 35 -13.891 7.027 -8.540 1.00 0.00 C ATOM 0 H VAL A 35 -11.979 7.307 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.323 5.137 -6.436 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.796 6.972 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.077 9.286 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.373 8.642 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.377 8.759 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.583 7.774 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.904 7.184 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.248 6.031 -8.801 1.00 0.00 H new ATOM 504 N LYS A 36 -11.704 5.292 -8.435 1.00 0.00 N ATOM 505 CA LYS A 36 -10.596 5.141 -9.371 1.00 0.00 C ATOM 506 C LYS A 36 -10.553 6.305 -10.356 1.00 0.00 C ATOM 507 O LYS A 36 -11.485 6.508 -11.134 1.00 0.00 O ATOM 508 CB LYS A 36 -10.721 3.820 -10.133 1.00 0.00 C ATOM 509 CG LYS A 36 -9.598 3.582 -11.127 1.00 0.00 C ATOM 510 CD LYS A 36 -9.512 2.120 -11.533 1.00 0.00 C ATOM 511 CE LYS A 36 -8.899 1.271 -10.430 1.00 0.00 C ATOM 512 NZ LYS A 36 -8.589 -0.108 -10.899 1.00 0.00 N ATOM 0 H LYS A 36 -12.548 4.782 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.668 5.137 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.742 2.998 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.673 3.805 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.758 4.197 -12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.650 3.895 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.509 1.747 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.914 2.028 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.986 1.746 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.586 1.221 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.173 -0.655 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.464 -0.571 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.913 -0.063 -11.688 1.00 0.00 H new ATOM 526 N GLY A 37 -9.464 7.067 -10.318 1.00 0.00 N ATOM 527 CA GLY A 37 -9.320 8.201 -11.213 1.00 0.00 C ATOM 528 C GLY A 37 -9.146 9.509 -10.468 1.00 0.00 C ATOM 529 O GLY A 37 -8.931 10.555 -11.081 1.00 0.00 O ATOM 0 H GLY A 37 -8.679 6.919 -9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.460 8.040 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.198 8.266 -11.856 1.00 0.00 H new ATOM 533 N GLN A 38 -9.239 9.451 -9.144 1.00 0.00 N ATOM 534 CA GLN A 38 -9.093 10.642 -8.315 1.00 0.00 C ATOM 535 C GLN A 38 -7.744 10.647 -7.602 1.00 0.00 C ATOM 536 O GLN A 38 -7.074 9.618 -7.514 1.00 0.00 O ATOM 537 CB GLN A 38 -10.225 10.719 -7.290 1.00 0.00 C ATOM 538 CG GLN A 38 -11.568 11.099 -7.894 1.00 0.00 C ATOM 539 CD GLN A 38 -12.480 11.789 -6.899 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.568 11.300 -6.594 1.00 0.00 O ATOM 541 NE2 GLN A 38 -12.041 12.933 -6.387 1.00 0.00 N ATOM 0 H GLN A 38 -9.415 8.593 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.143 11.515 -8.966 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.320 9.754 -6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.961 11.448 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.405 11.756 -8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.060 10.202 -8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.133 13.302 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.612 13.442 -5.713 1.00 0.00 H new ATOM 550 N VAL A 39 -7.352 11.811 -7.096 1.00 0.00 N ATOM 551 CA VAL A 39 -6.084 11.950 -6.390 1.00 0.00 C ATOM 552 C VAL A 39 -6.171 11.364 -4.985 1.00 0.00 C ATOM 553 O VAL A 39 -6.831 11.921 -4.108 1.00 0.00 O ATOM 554 CB VAL A 39 -5.654 13.425 -6.293 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.549 13.593 -5.261 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.206 13.939 -7.653 1.00 0.00 C ATOM 0 H VAL A 39 -7.894 12.672 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.339 11.400 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.512 14.015 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.258 14.642 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.909 13.265 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.687 12.992 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.905 14.983 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.362 13.347 -8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.029 13.856 -8.363 1.00 0.00 H new ATOM 566 N VAL A 40 -5.498 10.236 -4.777 1.00 0.00 N ATOM 567 CA VAL A 40 -5.497 9.575 -3.478 1.00 0.00 C ATOM 568 C VAL A 40 -4.149 9.731 -2.783 1.00 0.00 C ATOM 569 O VAL A 40 -3.099 9.481 -3.376 1.00 0.00 O ATOM 570 CB VAL A 40 -5.824 8.076 -3.611 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.324 7.844 -3.503 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.284 7.528 -4.923 1.00 0.00 C ATOM 0 H VAL A 40 -4.947 9.761 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.269 10.056 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.339 7.542 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.535 6.779 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.678 8.198 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.835 8.389 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.524 6.468 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.738 8.065 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.202 7.658 -4.954 1.00 0.00 H new ATOM 582 N THR A 41 -4.184 10.144 -1.520 1.00 0.00 N ATOM 583 CA THR A 41 -2.966 10.334 -0.743 1.00 0.00 C ATOM 584 C THR A 41 -2.900 9.356 0.424 1.00 0.00 C ATOM 585 O THR A 41 -3.788 9.329 1.276 1.00 0.00 O ATOM 586 CB THR A 41 -2.864 11.771 -0.200 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.300 12.704 -1.196 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.436 12.094 0.213 1.00 0.00 C ATOM 0 H THR A 41 -5.044 10.353 -1.013 1.00 0.00 H new ATOM 0 HA THR A 41 -2.130 10.148 -1.417 1.00 0.00 H new ATOM 0 HB THR A 41 -3.506 11.850 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.234 13.615 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.389 13.114 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.117 11.401 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.777 11.998 -0.650 1.00 0.00 H new ATOM 596 N VAL A 42 -1.842 8.552 0.458 1.00 0.00 N ATOM 597 CA VAL A 42 -1.659 7.573 1.522 1.00 0.00 C ATOM 598 C VAL A 42 -0.204 7.515 1.973 1.00 0.00 C ATOM 599 O VAL A 42 0.653 8.216 1.432 1.00 0.00 O ATOM 600 CB VAL A 42 -2.102 6.167 1.074 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.463 6.227 0.397 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.063 5.551 0.149 1.00 0.00 C ATOM 0 H VAL A 42 -1.098 8.560 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.282 7.894 2.357 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.190 5.533 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.760 5.225 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.200 6.624 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.406 6.875 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.392 4.558 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.941 6.181 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.111 5.472 0.673 1.00 0.00 H new ATOM 612 N HIS A 43 0.070 6.676 2.966 1.00 0.00 N ATOM 613 CA HIS A 43 1.424 6.526 3.489 1.00 0.00 C ATOM 614 C HIS A 43 1.962 5.126 3.210 1.00 0.00 C ATOM 615 O HIS A 43 1.639 4.172 3.921 1.00 0.00 O ATOM 616 CB HIS A 43 1.446 6.803 4.993 1.00 0.00 C ATOM 617 CG HIS A 43 2.827 6.923 5.560 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.156 7.813 6.559 1.00 0.00 N ATOM 619 CD2 HIS A 43 3.966 6.256 5.262 1.00 0.00 C ATOM 620 CE1 HIS A 43 4.438 7.690 6.851 1.00 0.00 C ATOM 621 NE2 HIS A 43 4.953 6.751 6.079 1.00 0.00 N ATOM 0 H HIS A 43 -0.627 6.089 3.425 1.00 0.00 H new ATOM 0 HA HIS A 43 2.064 7.250 2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.899 7.724 5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.919 6.001 5.510 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.510 8.465 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.078 5.479 4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.974 8.261 7.595 1.00 0.00 H new ATOM 630 N LEU A 44 2.782 5.008 2.172 1.00 0.00 N ATOM 631 CA LEU A 44 3.365 3.724 1.799 1.00 0.00 C ATOM 632 C LEU A 44 4.811 3.624 2.273 1.00 0.00 C ATOM 633 O LEU A 44 5.587 4.568 2.130 1.00 0.00 O ATOM 634 CB LEU A 44 3.298 3.533 0.283 1.00 0.00 C ATOM 635 CG LEU A 44 4.452 2.752 -0.347 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.731 3.574 -0.320 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.653 1.426 0.372 1.00 0.00 C ATOM 0 H LEU A 44 3.058 5.786 1.573 1.00 0.00 H new ATOM 0 HA LEU A 44 2.789 2.936 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.366 3.022 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.253 4.516 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 44 4.200 2.545 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.541 3.002 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.582 4.497 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.988 3.813 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.478 0.883 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.883 1.612 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.742 0.831 0.300 1.00 0.00 H new ATOM 649 N GLN A 45 5.166 2.473 2.835 1.00 0.00 N ATOM 650 CA GLN A 45 6.520 2.250 3.328 1.00 0.00 C ATOM 651 C GLN A 45 7.026 0.869 2.923 1.00 0.00 C ATOM 652 O GLN A 45 6.457 -0.152 3.312 1.00 0.00 O ATOM 653 CB GLN A 45 6.562 2.395 4.850 1.00 0.00 C ATOM 654 CG GLN A 45 6.335 3.819 5.332 1.00 0.00 C ATOM 655 CD GLN A 45 6.762 4.022 6.772 1.00 0.00 C ATOM 656 OE1 GLN A 45 8.008 3.678 7.075 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 5.980 4.484 7.604 1.00 0.00 N flip ATOM 0 H GLN A 45 4.535 1.681 2.960 1.00 0.00 H new ATOM 0 HA GLN A 45 7.171 3.001 2.881 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.804 1.746 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.529 2.047 5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.888 4.507 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.279 4.069 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.031 4.735 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.282 4.616 8.569 1.00 0.00 H new ATOM 666 N THR A 46 8.099 0.844 2.138 1.00 0.00 N ATOM 667 CA THR A 46 8.681 -0.411 1.679 1.00 0.00 C ATOM 668 C THR A 46 9.662 -0.969 2.703 1.00 0.00 C ATOM 669 O THR A 46 10.517 -0.247 3.216 1.00 0.00 O ATOM 670 CB THR A 46 9.407 -0.233 0.332 1.00 0.00 C ATOM 671 OG1 THR A 46 8.677 0.672 -0.503 1.00 0.00 O ATOM 672 CG2 THR A 46 9.566 -1.570 -0.377 1.00 0.00 C ATOM 0 H THR A 46 8.582 1.679 1.807 1.00 0.00 H new ATOM 0 HA THR A 46 7.858 -1.113 1.550 1.00 0.00 H new ATOM 0 HB THR A 46 10.398 0.176 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.146 0.781 -1.356 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.081 -1.420 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.148 -2.247 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.583 -2.003 -0.563 1.00 0.00 H new ATOM 680 N SER A 47 9.533 -2.259 2.997 1.00 0.00 N ATOM 681 CA SER A 47 10.407 -2.914 3.963 1.00 0.00 C ATOM 682 C SER A 47 10.584 -4.391 3.622 1.00 0.00 C ATOM 683 O SER A 47 9.611 -5.103 3.371 1.00 0.00 O ATOM 684 CB SER A 47 9.839 -2.770 5.376 1.00 0.00 C ATOM 685 OG SER A 47 8.438 -2.977 5.386 1.00 0.00 O ATOM 0 H SER A 47 8.832 -2.871 2.580 1.00 0.00 H new ATOM 0 HA SER A 47 11.382 -2.430 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.321 -3.488 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.066 -1.777 5.763 1.00 0.00 H new ATOM 0 HG SER A 47 8.100 -2.881 6.301 1.00 0.00 H new ATOM 691 N LEU A 48 11.833 -4.844 3.615 1.00 0.00 N ATOM 692 CA LEU A 48 12.139 -6.236 3.305 1.00 0.00 C ATOM 693 C LEU A 48 11.320 -7.182 4.178 1.00 0.00 C ATOM 694 O LEU A 48 10.927 -6.830 5.289 1.00 0.00 O ATOM 695 CB LEU A 48 13.632 -6.506 3.502 1.00 0.00 C ATOM 696 CG LEU A 48 14.522 -6.279 2.279 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.387 -7.433 1.298 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.176 -4.960 1.605 1.00 0.00 C ATOM 0 H LEU A 48 12.649 -4.268 3.820 1.00 0.00 H new ATOM 0 HA LEU A 48 11.877 -6.416 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.992 -5.871 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.754 -7.539 3.829 1.00 0.00 H new ATOM 0 HG LEU A 48 15.559 -6.233 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.028 -7.253 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.686 -8.361 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.350 -7.513 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.819 -4.815 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.134 -4.977 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.327 -4.141 2.309 1.00 0.00 H new ATOM 710 N GLU A 49 11.070 -8.383 3.667 1.00 0.00 N ATOM 711 CA GLU A 49 10.299 -9.379 4.401 1.00 0.00 C ATOM 712 C GLU A 49 10.880 -9.597 5.795 1.00 0.00 C ATOM 713 O GLU A 49 10.162 -9.947 6.731 1.00 0.00 O ATOM 714 CB GLU A 49 10.273 -10.703 3.634 1.00 0.00 C ATOM 715 CG GLU A 49 9.724 -11.865 4.445 1.00 0.00 C ATOM 716 CD GLU A 49 10.693 -12.343 5.509 1.00 0.00 C ATOM 717 OE1 GLU A 49 11.888 -12.514 5.189 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.257 -12.547 6.661 1.00 0.00 O ATOM 0 H GLU A 49 11.390 -8.690 2.748 1.00 0.00 H new ATOM 0 HA GLU A 49 9.279 -9.008 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.669 -10.581 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.285 -10.944 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.790 -11.563 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.489 -12.692 3.775 1.00 0.00 H new ATOM 725 N ASN A 50 12.186 -9.388 5.925 1.00 0.00 N ATOM 726 CA ASN A 50 12.865 -9.563 7.204 1.00 0.00 C ATOM 727 C ASN A 50 12.581 -8.389 8.135 1.00 0.00 C ATOM 728 O ASN A 50 12.246 -8.577 9.304 1.00 0.00 O ATOM 729 CB ASN A 50 14.373 -9.705 6.989 1.00 0.00 C ATOM 730 CG ASN A 50 14.858 -8.942 5.771 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.133 -7.744 5.844 1.00 0.00 O ATOM 732 ND2 ASN A 50 14.965 -9.635 4.643 1.00 0.00 N ATOM 0 H ASN A 50 12.795 -9.097 5.160 1.00 0.00 H new ATOM 0 HA ASN A 50 12.484 -10.473 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.899 -9.345 7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.624 -10.760 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.286 -9.176 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.726 -10.627 4.629 1.00 0.00 H new ATOM 739 N GLY A 51 12.717 -7.175 7.608 1.00 0.00 N ATOM 740 CA GLY A 51 12.471 -5.988 8.406 1.00 0.00 C ATOM 741 C GLY A 51 13.465 -4.881 8.119 1.00 0.00 C ATOM 742 O GLY A 51 13.940 -4.209 9.036 1.00 0.00 O ATOM 0 H GLY A 51 12.993 -6.993 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.462 -5.625 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.517 -6.249 9.463 1.00 0.00 H new ATOM 746 N THR A 52 13.785 -4.690 6.843 1.00 0.00 N ATOM 747 CA THR A 52 14.732 -3.658 6.438 1.00 0.00 C ATOM 748 C THR A 52 14.057 -2.601 5.573 1.00 0.00 C ATOM 749 O THR A 52 13.891 -2.785 4.367 1.00 0.00 O ATOM 750 CB THR A 52 15.919 -4.259 5.662 1.00 0.00 C ATOM 751 OG1 THR A 52 16.546 -5.284 6.442 1.00 0.00 O ATOM 752 CG2 THR A 52 16.938 -3.184 5.315 1.00 0.00 C ATOM 0 H THR A 52 13.402 -5.237 6.072 1.00 0.00 H new ATOM 0 HA THR A 52 15.102 -3.193 7.352 1.00 0.00 H new ATOM 0 HB THR A 52 15.539 -4.690 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.100 -6.141 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.767 -3.632 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.465 -2.420 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.313 -2.728 6.232 1.00 0.00 H new ATOM 760 N ARG A 53 13.669 -1.492 6.195 1.00 0.00 N ATOM 761 CA ARG A 53 13.011 -0.405 5.481 1.00 0.00 C ATOM 762 C ARG A 53 13.892 0.112 4.347 1.00 0.00 C ATOM 763 O ARG A 53 15.011 0.572 4.575 1.00 0.00 O ATOM 764 CB ARG A 53 12.678 0.737 6.443 1.00 0.00 C ATOM 765 CG ARG A 53 11.306 0.611 7.085 1.00 0.00 C ATOM 766 CD ARG A 53 10.728 1.973 7.435 1.00 0.00 C ATOM 767 NE ARG A 53 11.248 2.480 8.703 1.00 0.00 N ATOM 768 CZ ARG A 53 10.833 2.053 9.890 1.00 0.00 C ATOM 769 NH1 ARG A 53 9.898 1.116 9.972 1.00 0.00 N ATOM 770 NH2 ARG A 53 11.355 2.562 10.999 1.00 0.00 N ATOM 0 H ARG A 53 13.799 -1.323 7.192 1.00 0.00 H new ATOM 0 HA ARG A 53 12.086 -0.792 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.435 0.773 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.732 1.683 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.631 0.092 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.379 0.003 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.960 2.681 6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.642 1.902 7.491 1.00 0.00 H new ATOM 0 HE ARG A 53 11.969 3.201 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.496 0.721 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.581 0.790 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.075 3.282 10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.036 2.234 11.910 1.00 0.00 H new ATOM 784 N VAL A 54 13.379 0.032 3.123 1.00 0.00 N ATOM 785 CA VAL A 54 14.117 0.491 1.953 1.00 0.00 C ATOM 786 C VAL A 54 13.745 1.926 1.597 1.00 0.00 C ATOM 787 O VAL A 54 14.602 2.723 1.217 1.00 0.00 O ATOM 788 CB VAL A 54 13.856 -0.413 0.734 1.00 0.00 C ATOM 789 CG1 VAL A 54 14.572 0.128 -0.495 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.289 -1.841 1.028 1.00 0.00 C ATOM 0 H VAL A 54 12.455 -0.347 2.916 1.00 0.00 H new ATOM 0 HA VAL A 54 15.176 0.446 2.209 1.00 0.00 H new ATOM 0 HB VAL A 54 12.786 -0.417 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.376 -0.524 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.209 1.132 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 54 15.645 0.164 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.097 -2.466 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.354 -1.858 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.726 -2.224 1.879 1.00 0.00 H new ATOM 800 N GLN A 55 12.462 2.248 1.724 1.00 0.00 N ATOM 801 CA GLN A 55 11.976 3.587 1.415 1.00 0.00 C ATOM 802 C GLN A 55 10.663 3.870 2.136 1.00 0.00 C ATOM 803 O GLN A 55 9.826 2.981 2.293 1.00 0.00 O ATOM 804 CB GLN A 55 11.788 3.749 -0.095 1.00 0.00 C ATOM 805 CG GLN A 55 10.394 3.382 -0.577 1.00 0.00 C ATOM 806 CD GLN A 55 9.448 4.566 -0.584 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.709 4.791 0.375 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.466 5.331 -1.669 1.00 0.00 N ATOM 0 H GLN A 55 11.740 1.600 2.039 1.00 0.00 H new ATOM 0 HA GLN A 55 12.720 4.304 1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.998 4.783 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.518 3.127 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.459 2.968 -1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.986 2.600 0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.095 5.107 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.851 6.142 -1.731 1.00 0.00 H new ATOM 817 N GLU A 56 10.489 5.114 2.573 1.00 0.00 N ATOM 818 CA GLU A 56 9.276 5.512 3.279 1.00 0.00 C ATOM 819 C GLU A 56 8.686 6.781 2.673 1.00 0.00 C ATOM 820 O GLU A 56 9.383 7.781 2.500 1.00 0.00 O ATOM 821 CB GLU A 56 9.574 5.733 4.764 1.00 0.00 C ATOM 822 CG GLU A 56 8.508 6.542 5.484 1.00 0.00 C ATOM 823 CD GLU A 56 8.782 8.033 5.445 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.783 8.437 4.818 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.993 8.796 6.041 1.00 0.00 O ATOM 0 H GLU A 56 11.171 5.862 2.451 1.00 0.00 H new ATOM 0 HA GLU A 56 8.546 4.709 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.676 4.765 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.533 6.242 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.537 6.343 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.448 6.214 6.522 1.00 0.00 H new ATOM 832 N GLU A 57 7.397 6.733 2.352 1.00 0.00 N ATOM 833 CA GLU A 57 6.713 7.879 1.763 1.00 0.00 C ATOM 834 C GLU A 57 5.543 8.321 2.637 1.00 0.00 C ATOM 835 O GLU A 57 4.475 7.709 2.644 1.00 0.00 O ATOM 836 CB GLU A 57 6.214 7.536 0.358 1.00 0.00 C ATOM 837 CG GLU A 57 6.072 8.746 -0.549 1.00 0.00 C ATOM 838 CD GLU A 57 7.313 9.617 -0.559 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.268 9.279 -1.290 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.330 10.636 0.163 1.00 0.00 O ATOM 0 H GLU A 57 6.805 5.914 2.490 1.00 0.00 H new ATOM 0 HA GLU A 57 7.426 8.701 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.904 6.828 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.249 7.036 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.860 8.411 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.218 9.341 -0.224 1.00 0.00 H new ATOM 847 N PRO A 58 5.748 9.411 3.391 1.00 0.00 N ATOM 848 CA PRO A 58 4.722 9.961 4.283 1.00 0.00 C ATOM 849 C PRO A 58 3.564 10.590 3.516 1.00 0.00 C ATOM 850 O PRO A 58 2.411 10.505 3.936 1.00 0.00 O ATOM 851 CB PRO A 58 5.478 11.027 5.079 1.00 0.00 C ATOM 852 CG PRO A 58 6.610 11.427 4.196 1.00 0.00 C ATOM 853 CD PRO A 58 6.996 10.191 3.432 1.00 0.00 C ATOM 0 HA PRO A 58 4.266 9.190 4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.837 11.877 5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.837 10.631 6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.312 12.227 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.449 11.801 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.352 10.433 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.796 9.644 3.931 1.00 0.00 H new ATOM 861 N GLU A 59 3.879 11.220 2.389 1.00 0.00 N ATOM 862 CA GLU A 59 2.864 11.863 1.564 1.00 0.00 C ATOM 863 C GLU A 59 2.909 11.334 0.133 1.00 0.00 C ATOM 864 O GLU A 59 3.339 12.032 -0.786 1.00 0.00 O ATOM 865 CB GLU A 59 3.060 13.381 1.564 1.00 0.00 C ATOM 866 CG GLU A 59 2.067 14.124 0.687 1.00 0.00 C ATOM 867 CD GLU A 59 2.072 15.619 0.937 1.00 0.00 C ATOM 868 OE1 GLU A 59 2.430 16.032 2.060 1.00 0.00 O ATOM 869 OE2 GLU A 59 1.717 16.376 0.009 1.00 0.00 O ATOM 0 H GLU A 59 4.829 11.299 2.027 1.00 0.00 H new ATOM 0 HA GLU A 59 1.888 11.630 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.975 13.750 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.071 13.608 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.300 13.934 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.066 13.733 0.867 1.00 0.00 H new ATOM 876 N LEU A 60 2.463 10.096 -0.047 1.00 0.00 N ATOM 877 CA LEU A 60 2.453 9.471 -1.366 1.00 0.00 C ATOM 878 C LEU A 60 1.152 9.774 -2.102 1.00 0.00 C ATOM 879 O LEU A 60 0.067 9.425 -1.636 1.00 0.00 O ATOM 880 CB LEU A 60 2.639 7.958 -1.236 1.00 0.00 C ATOM 881 CG LEU A 60 2.280 7.130 -2.470 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.771 7.065 -2.650 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.942 7.709 -3.712 1.00 0.00 C ATOM 0 H LEU A 60 2.104 9.505 0.703 1.00 0.00 H new ATOM 0 HA LEU A 60 3.280 9.884 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.680 7.761 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.034 7.608 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 60 2.652 6.116 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.535 6.472 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.319 6.604 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.376 8.073 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.675 7.107 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.601 8.733 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.024 7.702 -3.584 1.00 0.00 H new ATOM 895 N VAL A 61 1.268 10.425 -3.255 1.00 0.00 N ATOM 896 CA VAL A 61 0.101 10.772 -4.058 1.00 0.00 C ATOM 897 C VAL A 61 0.174 10.130 -5.439 1.00 0.00 C ATOM 898 O VAL A 61 1.259 9.911 -5.977 1.00 0.00 O ATOM 899 CB VAL A 61 -0.035 12.297 -4.219 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.201 12.876 -4.890 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.290 12.639 -5.009 1.00 0.00 C ATOM 0 H VAL A 61 2.158 10.723 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.773 10.391 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.123 12.743 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.086 13.955 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.079 12.662 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.324 12.427 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.371 13.721 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.234 12.182 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.166 12.259 -4.483 1.00 0.00 H new ATOM 911 N PHE A 62 -0.989 9.831 -6.008 1.00 0.00 N ATOM 912 CA PHE A 62 -1.059 9.213 -7.327 1.00 0.00 C ATOM 913 C PHE A 62 -2.484 9.248 -7.870 1.00 0.00 C ATOM 914 O PHE A 62 -3.412 9.678 -7.184 1.00 0.00 O ATOM 915 CB PHE A 62 -0.560 7.768 -7.264 1.00 0.00 C ATOM 916 CG PHE A 62 -1.474 6.852 -6.502 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.710 6.497 -7.019 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.098 6.345 -5.268 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.553 5.654 -6.320 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.937 5.501 -4.564 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.166 5.155 -5.091 1.00 0.00 C ATOM 0 H PHE A 62 -1.896 10.007 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.419 9.782 -8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.441 7.388 -8.279 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.426 7.752 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.018 6.884 -7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.138 6.612 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.514 5.385 -6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.632 5.113 -3.603 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.823 4.496 -4.543 1.00 0.00 H new ATOM 931 N THR A 63 -2.651 8.793 -9.108 1.00 0.00 N ATOM 932 CA THR A 63 -3.962 8.773 -9.745 1.00 0.00 C ATOM 933 C THR A 63 -4.497 7.351 -9.857 1.00 0.00 C ATOM 934 O THR A 63 -4.157 6.620 -10.788 1.00 0.00 O ATOM 935 CB THR A 63 -3.914 9.404 -11.149 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.507 10.774 -11.057 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.272 9.318 -11.828 1.00 0.00 C ATOM 0 H THR A 63 -1.894 8.433 -9.690 1.00 0.00 H new ATOM 0 HA THR A 63 -4.629 9.360 -9.114 1.00 0.00 H new ATOM 0 HB THR A 63 -3.191 8.850 -11.747 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.477 11.167 -11.954 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.213 9.770 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.566 8.273 -11.923 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.012 9.850 -11.230 1.00 0.00 H new ATOM 945 N LEU A 64 -5.337 6.963 -8.904 1.00 0.00 N ATOM 946 CA LEU A 64 -5.921 5.626 -8.896 1.00 0.00 C ATOM 947 C LEU A 64 -6.501 5.277 -10.263 1.00 0.00 C ATOM 948 O LEU A 64 -7.252 6.057 -10.848 1.00 0.00 O ATOM 949 CB LEU A 64 -7.011 5.530 -7.828 1.00 0.00 C ATOM 950 CG LEU A 64 -7.550 4.128 -7.542 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.451 3.238 -6.981 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.727 4.194 -6.580 1.00 0.00 C ATOM 0 H LEU A 64 -5.629 7.555 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.130 4.913 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.618 5.943 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.845 6.163 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.897 3.695 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.853 2.244 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.638 3.164 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.073 3.668 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.097 3.187 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.405 4.647 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.523 4.796 -7.019 1.00 0.00 H new ATOM 964 N GLY A 65 -6.148 4.098 -10.767 1.00 0.00 N ATOM 965 CA GLY A 65 -6.645 3.666 -12.060 1.00 0.00 C ATOM 966 C GLY A 65 -5.579 3.718 -13.137 1.00 0.00 C ATOM 967 O GLY A 65 -5.770 3.194 -14.235 1.00 0.00 O ATOM 0 H GLY A 65 -5.527 3.435 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.025 2.648 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.484 4.297 -12.353 1.00 0.00 H new ATOM 971 N ASP A 66 -4.455 4.352 -12.824 1.00 0.00 N ATOM 972 CA ASP A 66 -3.354 4.472 -13.774 1.00 0.00 C ATOM 973 C ASP A 66 -2.135 3.689 -13.294 1.00 0.00 C ATOM 974 O ASP A 66 -1.040 3.833 -13.838 1.00 0.00 O ATOM 975 CB ASP A 66 -2.985 5.942 -13.976 1.00 0.00 C ATOM 976 CG ASP A 66 -3.788 6.593 -15.085 1.00 0.00 C ATOM 977 OD1 ASP A 66 -4.967 6.221 -15.261 1.00 0.00 O ATOM 978 OD2 ASP A 66 -3.238 7.476 -15.775 1.00 0.00 O ATOM 0 H ASP A 66 -4.281 4.791 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.680 4.054 -14.726 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.148 6.486 -13.046 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.923 6.018 -14.208 1.00 0.00 H new ATOM 983 N CYS A 67 -2.333 2.863 -12.273 1.00 0.00 N ATOM 984 CA CYS A 67 -1.250 2.059 -11.719 1.00 0.00 C ATOM 985 C CYS A 67 0.032 2.877 -11.607 1.00 0.00 C ATOM 986 O CYS A 67 1.120 2.390 -11.913 1.00 0.00 O ATOM 987 CB CYS A 67 -1.007 0.824 -12.589 1.00 0.00 C ATOM 988 SG CYS A 67 -0.133 1.170 -14.134 1.00 0.00 S ATOM 0 H CYS A 67 -3.233 2.732 -11.812 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.543 1.738 -10.719 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.434 0.096 -12.015 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.967 0.363 -12.822 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.136 2.451 -14.357 1.00 0.00 H new ATOM 994 N ASP A 68 -0.105 4.124 -11.168 1.00 0.00 N ATOM 995 CA ASP A 68 1.043 5.011 -11.017 1.00 0.00 C ATOM 996 C ASP A 68 1.905 4.586 -9.832 1.00 0.00 C ATOM 997 O ASP A 68 2.995 5.120 -9.621 1.00 0.00 O ATOM 998 CB ASP A 68 0.576 6.456 -10.832 1.00 0.00 C ATOM 999 CG ASP A 68 0.347 7.164 -12.153 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.274 7.172 -12.991 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.759 7.709 -12.349 1.00 0.00 O ATOM 0 H ASP A 68 -0.999 4.543 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 68 1.645 4.945 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.348 6.465 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.320 7.004 -10.254 1.00 0.00 H new ATOM 1006 N VAL A 69 1.410 3.624 -9.061 1.00 0.00 N ATOM 1007 CA VAL A 69 2.134 3.128 -7.897 1.00 0.00 C ATOM 1008 C VAL A 69 2.232 1.606 -7.918 1.00 0.00 C ATOM 1009 O VAL A 69 1.795 0.960 -8.871 1.00 0.00 O ATOM 1010 CB VAL A 69 1.459 3.569 -6.585 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.634 5.065 -6.372 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.014 3.192 -6.591 1.00 0.00 C ATOM 0 H VAL A 69 0.510 3.172 -9.221 1.00 0.00 H new ATOM 0 HA VAL A 69 3.136 3.555 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 69 1.940 3.049 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.151 5.359 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.696 5.303 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.180 5.606 -7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.475 3.511 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.512 3.683 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.113 2.111 -6.694 1.00 0.00 H new ATOM 1022 N ILE A 70 2.807 1.041 -6.862 1.00 0.00 N ATOM 1023 CA ILE A 70 2.961 -0.405 -6.759 1.00 0.00 C ATOM 1024 C ILE A 70 1.644 -1.119 -7.045 1.00 0.00 C ATOM 1025 O ILE A 70 0.570 -0.611 -6.725 1.00 0.00 O ATOM 1026 CB ILE A 70 3.465 -0.819 -5.364 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.544 0.150 -4.879 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.999 -2.243 -5.396 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.583 0.472 -5.930 1.00 0.00 C ATOM 0 H ILE A 70 3.174 1.562 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 70 3.700 -0.698 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 70 2.629 -0.780 -4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.070 1.076 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.040 -0.278 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.352 -2.522 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.204 -2.923 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.824 -2.306 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.316 1.164 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.084 -0.445 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.098 0.929 -6.793 1.00 0.00 H new ATOM 1041 N GLN A 71 1.736 -2.301 -7.646 1.00 0.00 N ATOM 1042 CA GLN A 71 0.552 -3.085 -7.973 1.00 0.00 C ATOM 1043 C GLN A 71 -0.127 -3.600 -6.708 1.00 0.00 C ATOM 1044 O GLN A 71 -1.245 -4.113 -6.757 1.00 0.00 O ATOM 1045 CB GLN A 71 0.927 -4.260 -8.879 1.00 0.00 C ATOM 1046 CG GLN A 71 0.854 -3.932 -10.362 1.00 0.00 C ATOM 1047 CD GLN A 71 0.702 -5.168 -11.226 1.00 0.00 C ATOM 1048 OE1 GLN A 71 1.322 -6.265 -10.805 1.00 0.00 O flip ATOM 1049 NE2 GLN A 71 0.036 -5.138 -12.261 1.00 0.00 N flip ATOM 0 H GLN A 71 2.618 -2.736 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.148 -2.437 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.938 -4.586 -8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.262 -5.098 -8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.013 -3.262 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.756 -3.396 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.424 -4.273 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.056 -5.978 -12.833 1.00 0.00 H new ATOM 1058 N ALA A 72 0.557 -3.460 -5.577 1.00 0.00 N ATOM 1059 CA ALA A 72 0.019 -3.909 -4.299 1.00 0.00 C ATOM 1060 C ALA A 72 -0.658 -2.763 -3.555 1.00 0.00 C ATOM 1061 O ALA A 72 -1.412 -2.984 -2.607 1.00 0.00 O ATOM 1062 CB ALA A 72 1.123 -4.516 -3.446 1.00 0.00 C ATOM 0 H ALA A 72 1.484 -3.039 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.733 -4.673 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.707 -4.847 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.559 -5.368 -3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.895 -3.768 -3.264 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.383 -1.538 -3.989 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.965 -0.356 -3.363 1.00 0.00 C ATOM 1070 C LEU A 73 -2.168 0.144 -4.157 1.00 0.00 C ATOM 1071 O LEU A 73 -3.219 0.441 -3.589 1.00 0.00 O ATOM 1072 CB LEU A 73 0.082 0.754 -3.250 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.460 2.178 -3.121 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.256 2.331 -1.834 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.677 3.188 -3.170 1.00 0.00 C ATOM 0 H LEU A 73 0.239 -1.337 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.301 -0.633 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.711 0.546 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.725 0.710 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.126 2.370 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.634 3.351 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.093 1.633 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.612 2.119 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.273 4.196 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.369 2.997 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.205 3.095 -4.119 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.007 0.232 -5.473 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.081 0.693 -6.345 1.00 0.00 C ATOM 1089 C ASP A 74 -4.212 -0.329 -6.401 1.00 0.00 C ATOM 1090 O ASP A 74 -5.353 0.008 -6.721 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.545 0.956 -7.753 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.320 2.042 -8.474 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.383 1.729 -9.049 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -2.863 3.204 -8.464 1.00 0.00 O ATOM 0 H ASP A 74 -1.143 -0.010 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.476 1.623 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.495 1.243 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.590 0.035 -8.334 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.889 -1.579 -6.088 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.877 -2.652 -6.103 1.00 0.00 C ATOM 1101 C LEU A 75 -5.455 -2.880 -4.710 1.00 0.00 C ATOM 1102 O LEU A 75 -6.311 -3.742 -4.516 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.248 -3.945 -6.625 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.877 -3.960 -8.108 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -2.996 -2.768 -8.450 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -3.178 -5.262 -8.470 1.00 0.00 C ATOM 0 H LEU A 75 -2.950 -1.875 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.688 -2.356 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.348 -4.148 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.941 -4.765 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.794 -3.888 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.742 -2.795 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.531 -1.845 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.082 -2.809 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.921 -5.255 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.269 -5.364 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.842 -6.101 -8.263 1.00 0.00 H new ATOM 1118 N SER A 76 -4.980 -2.100 -3.743 1.00 0.00 N ATOM 1119 CA SER A 76 -5.448 -2.218 -2.367 1.00 0.00 C ATOM 1120 C SER A 76 -6.139 -0.935 -1.916 1.00 0.00 C ATOM 1121 O SER A 76 -7.080 -0.968 -1.123 1.00 0.00 O ATOM 1122 CB SER A 76 -4.278 -2.536 -1.434 1.00 0.00 C ATOM 1123 OG SER A 76 -3.242 -1.579 -1.571 1.00 0.00 O ATOM 0 H SER A 76 -4.272 -1.380 -3.887 1.00 0.00 H new ATOM 0 HA SER A 76 -6.170 -3.033 -2.323 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.627 -2.554 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.891 -3.530 -1.657 1.00 0.00 H new ATOM 0 HG SER A 76 -2.377 -2.037 -1.611 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.665 0.196 -2.429 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.236 1.492 -2.081 1.00 0.00 C ATOM 1131 C VAL A 77 -7.757 1.469 -2.191 1.00 0.00 C ATOM 1132 O VAL A 77 -8.477 1.782 -1.242 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.684 2.610 -2.985 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.707 3.726 -3.140 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.376 3.149 -2.427 1.00 0.00 C ATOM 0 H VAL A 77 -4.887 0.241 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.952 1.696 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.487 2.191 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.299 4.507 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.617 3.326 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.939 4.145 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.000 3.938 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.545 3.552 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.644 2.343 -2.374 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.259 1.089 -3.375 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.700 1.015 -3.637 1.00 0.00 C ATOM 1147 C PRO A 78 -10.369 -0.125 -2.877 1.00 0.00 C ATOM 1148 O PRO A 78 -11.560 -0.385 -3.051 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.773 0.768 -5.146 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.478 0.115 -5.486 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.459 0.702 -4.549 1.00 0.00 C ATOM 0 HA PRO A 78 -10.221 1.916 -3.313 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.618 0.129 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.902 1.701 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.543 -0.966 -5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.207 0.303 -6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.688 -0.023 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.953 1.560 -4.992 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.597 -0.801 -2.034 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.116 -1.914 -1.246 1.00 0.00 C ATOM 1161 C LEU A 79 -10.204 -1.541 0.231 1.00 0.00 C ATOM 1162 O LEU A 79 -10.415 -2.400 1.086 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.227 -3.146 -1.421 1.00 0.00 C ATOM 1164 CG LEU A 79 -8.898 -3.537 -2.862 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.225 -4.900 -2.904 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.157 -3.535 -3.716 1.00 0.00 C ATOM 0 H LEU A 79 -8.610 -0.598 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.120 -2.144 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.291 -2.972 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.715 -3.993 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.206 -2.800 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.998 -5.162 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.301 -4.868 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.893 -5.649 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.904 -3.816 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.873 -4.250 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.598 -2.538 -3.712 1.00 0.00 H new ATOM 1178 N MET A 80 -10.042 -0.255 0.522 1.00 0.00 N ATOM 1179 CA MET A 80 -10.106 0.232 1.895 1.00 0.00 C ATOM 1180 C MET A 80 -10.858 1.557 1.968 1.00 0.00 C ATOM 1181 O MET A 80 -10.820 2.355 1.031 1.00 0.00 O ATOM 1182 CB MET A 80 -8.696 0.400 2.466 1.00 0.00 C ATOM 1183 CG MET A 80 -7.691 0.930 1.456 1.00 0.00 C ATOM 1184 SD MET A 80 -5.991 0.509 1.883 1.00 0.00 S ATOM 1185 CE MET A 80 -5.849 1.271 3.498 1.00 0.00 C ATOM 0 H MET A 80 -9.865 0.469 -0.174 1.00 0.00 H new ATOM 0 HA MET A 80 -10.646 -0.505 2.490 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.736 1.079 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.348 -0.562 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.925 0.527 0.471 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.787 2.014 1.388 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.810 1.544 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.471 2.165 3.534 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.179 0.568 4.262 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.540 1.785 3.085 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.300 3.014 3.279 1.00 0.00 C ATOM 1197 C ASP A 81 -11.398 4.137 3.780 1.00 0.00 C ATOM 1198 O ASP A 81 -10.480 3.906 4.567 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.443 2.781 4.269 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.200 1.498 3.988 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -14.749 1.365 2.873 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.245 0.627 4.881 1.00 0.00 O ATOM 0 H ASP A 81 -11.582 1.135 3.870 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.718 3.310 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.041 2.748 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.133 3.623 4.227 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.665 5.355 3.318 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.878 6.514 3.718 1.00 0.00 C ATOM 1209 C VAL A 82 -10.803 6.630 5.237 1.00 0.00 C ATOM 1210 O VAL A 82 -11.809 6.873 5.901 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.465 7.817 3.143 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.983 7.802 3.229 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.894 9.025 3.871 1.00 0.00 C ATOM 0 H VAL A 82 -12.421 5.564 2.666 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.875 6.369 3.318 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.185 7.889 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.380 8.730 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.371 6.958 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.287 7.707 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.319 9.937 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.142 8.962 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.811 9.042 3.753 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.602 6.455 5.780 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.417 6.544 7.216 1.00 0.00 C ATOM 1225 C GLY A 83 -9.148 5.194 7.851 1.00 0.00 C ATOM 1226 O GLY A 83 -9.099 5.075 9.075 1.00 0.00 O ATOM 0 H GLY A 83 -8.754 6.253 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.586 7.215 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.307 6.983 7.667 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.975 4.173 7.017 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.712 2.824 7.505 1.00 0.00 C ATOM 1232 C GLU A 84 -7.324 2.354 7.081 1.00 0.00 C ATOM 1233 O GLU A 84 -7.006 2.310 5.892 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.773 1.854 6.983 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.305 0.409 6.934 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.334 -0.518 6.316 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.256 -0.949 7.040 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -10.218 -0.811 5.108 1.00 0.00 O ATOM 0 H GLU A 84 -9.012 4.254 6.001 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.753 2.844 8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.657 1.920 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.075 2.163 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.379 0.350 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.077 0.070 7.945 1.00 0.00 H new ATOM 1245 N THR A 85 -6.499 2.002 8.062 1.00 0.00 N ATOM 1246 CA THR A 85 -5.145 1.536 7.793 1.00 0.00 C ATOM 1247 C THR A 85 -5.129 0.045 7.474 1.00 0.00 C ATOM 1248 O THR A 85 -5.582 -0.775 8.273 1.00 0.00 O ATOM 1249 CB THR A 85 -4.210 1.803 8.988 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.188 3.203 9.288 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.799 1.320 8.690 1.00 0.00 C ATOM 0 H THR A 85 -6.746 2.031 9.051 1.00 0.00 H new ATOM 0 HA THR A 85 -4.786 2.094 6.928 1.00 0.00 H new ATOM 0 HB THR A 85 -4.590 1.253 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.593 3.365 10.050 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.157 1.519 9.548 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.816 0.249 8.491 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.411 1.845 7.817 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.605 -0.300 6.303 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.528 -1.692 5.880 1.00 0.00 C ATOM 1261 C ALA A 86 -3.135 -2.033 5.362 1.00 0.00 C ATOM 1262 O ALA A 86 -2.498 -1.223 4.688 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.575 -1.979 4.814 1.00 0.00 C ATOM 0 H ALA A 86 -4.227 0.367 5.630 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.728 -2.321 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.506 -3.023 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.568 -1.785 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.402 -1.335 3.951 1.00 0.00 H new ATOM 1269 N MET A 87 -2.668 -3.235 5.680 1.00 0.00 N ATOM 1270 CA MET A 87 -1.349 -3.682 5.246 1.00 0.00 C ATOM 1271 C MET A 87 -1.455 -4.559 4.002 1.00 0.00 C ATOM 1272 O MET A 87 -2.490 -5.178 3.752 1.00 0.00 O ATOM 1273 CB MET A 87 -0.652 -4.453 6.369 1.00 0.00 C ATOM 1274 CG MET A 87 0.705 -5.011 5.972 1.00 0.00 C ATOM 1275 SD MET A 87 1.778 -5.303 7.391 1.00 0.00 S ATOM 1276 CE MET A 87 2.598 -3.716 7.528 1.00 0.00 C ATOM 0 H MET A 87 -3.183 -3.917 6.237 1.00 0.00 H new ATOM 0 HA MET A 87 -0.757 -2.800 4.999 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.527 -3.794 7.228 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.294 -5.274 6.688 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.564 -5.946 5.429 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.194 -4.316 5.289 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.297 -3.738 8.364 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.141 -3.506 6.607 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.855 -2.936 7.697 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.379 -4.607 3.224 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.351 -5.409 2.006 1.00 0.00 C ATOM 1288 C VAL A 88 0.995 -6.105 1.837 1.00 0.00 C ATOM 1289 O VAL A 88 2.049 -5.471 1.911 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.631 -4.547 0.761 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.954 -3.811 0.907 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.510 -3.569 0.522 1.00 0.00 C ATOM 0 H VAL A 88 0.485 -4.100 3.415 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.135 -6.160 2.103 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.703 -5.204 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.135 -3.207 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.761 -4.534 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.916 -3.164 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.295 -2.968 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.617 -2.916 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.437 -4.122 0.368 1.00 0.00 H new ATOM 1302 N THR A 89 0.954 -7.414 1.609 1.00 0.00 N ATOM 1303 CA THR A 89 2.170 -8.197 1.429 1.00 0.00 C ATOM 1304 C THR A 89 2.109 -9.022 0.149 1.00 0.00 C ATOM 1305 O THR A 89 1.474 -10.076 0.108 1.00 0.00 O ATOM 1306 CB THR A 89 2.412 -9.140 2.623 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.195 -9.806 2.976 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.940 -8.369 3.824 1.00 0.00 C ATOM 0 H THR A 89 0.091 -7.954 1.545 1.00 0.00 H new ATOM 0 HA THR A 89 2.995 -7.488 1.362 1.00 0.00 H new ATOM 0 HB THR A 89 3.158 -9.878 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.777 -10.173 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.103 -9.056 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.882 -7.887 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.214 -7.611 4.118 1.00 0.00 H new ATOM 1316 N ALA A 90 2.773 -8.537 -0.894 1.00 0.00 N ATOM 1317 CA ALA A 90 2.796 -9.231 -2.176 1.00 0.00 C ATOM 1318 C ALA A 90 4.224 -9.575 -2.588 1.00 0.00 C ATOM 1319 O ALA A 90 5.186 -9.100 -1.984 1.00 0.00 O ATOM 1320 CB ALA A 90 2.124 -8.385 -3.247 1.00 0.00 C ATOM 0 H ALA A 90 3.303 -7.666 -0.877 1.00 0.00 H new ATOM 0 HA ALA A 90 2.243 -10.164 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.149 -8.916 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.089 -8.195 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.653 -7.437 -3.347 1.00 0.00 H new ATOM 1326 N ASP A 91 4.353 -10.402 -3.620 1.00 0.00 N ATOM 1327 CA ASP A 91 5.664 -10.808 -4.113 1.00 0.00 C ATOM 1328 C ASP A 91 6.299 -9.699 -4.946 1.00 0.00 C ATOM 1329 O ASP A 91 5.605 -8.827 -5.468 1.00 0.00 O ATOM 1330 CB ASP A 91 5.545 -12.085 -4.947 1.00 0.00 C ATOM 1331 CG ASP A 91 6.832 -12.426 -5.671 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.902 -12.389 -5.028 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.771 -12.729 -6.881 1.00 0.00 O ATOM 0 H ASP A 91 3.567 -10.804 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 91 6.304 -11.003 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.266 -12.915 -4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.743 -11.966 -5.675 1.00 0.00 H new ATOM 1338 N SER A 92 7.622 -9.740 -5.065 1.00 0.00 N ATOM 1339 CA SER A 92 8.352 -8.735 -5.831 1.00 0.00 C ATOM 1340 C SER A 92 7.689 -8.497 -7.184 1.00 0.00 C ATOM 1341 O SER A 92 7.660 -7.372 -7.685 1.00 0.00 O ATOM 1342 CB SER A 92 9.804 -9.172 -6.031 1.00 0.00 C ATOM 1343 OG SER A 92 10.620 -8.075 -6.403 1.00 0.00 O ATOM 0 H SER A 92 8.211 -10.457 -4.641 1.00 0.00 H new ATOM 0 HA SER A 92 8.335 -7.801 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.184 -9.616 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.852 -9.943 -6.800 1.00 0.00 H new ATOM 0 HG SER A 92 10.800 -8.113 -7.366 1.00 0.00 H new ATOM 1349 N LYS A 93 7.157 -9.563 -7.772 1.00 0.00 N ATOM 1350 CA LYS A 93 6.493 -9.472 -9.067 1.00 0.00 C ATOM 1351 C LYS A 93 5.463 -8.347 -9.072 1.00 0.00 C ATOM 1352 O LYS A 93 5.270 -7.674 -10.085 1.00 0.00 O ATOM 1353 CB LYS A 93 5.815 -10.801 -9.409 1.00 0.00 C ATOM 1354 CG LYS A 93 4.569 -11.078 -8.586 1.00 0.00 C ATOM 1355 CD LYS A 93 3.723 -12.176 -9.208 1.00 0.00 C ATOM 1356 CE LYS A 93 4.507 -13.471 -9.351 1.00 0.00 C ATOM 1357 NZ LYS A 93 5.250 -13.530 -10.640 1.00 0.00 N ATOM 0 H LYS A 93 7.173 -10.501 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 93 7.249 -9.252 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.550 -10.802 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.527 -11.612 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.856 -11.367 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.978 -10.166 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.841 -12.350 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.369 -11.854 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.209 -13.564 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.824 -14.318 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.094 -14.455 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.910 -12.777 -11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.266 -13.399 -10.461 1.00 0.00 H new ATOM 1371 N TYR A 94 4.805 -8.148 -7.935 1.00 0.00 N ATOM 1372 CA TYR A 94 3.794 -7.105 -7.810 1.00 0.00 C ATOM 1373 C TYR A 94 4.412 -5.807 -7.301 1.00 0.00 C ATOM 1374 O TYR A 94 3.856 -4.725 -7.493 1.00 0.00 O ATOM 1375 CB TYR A 94 2.679 -7.558 -6.865 1.00 0.00 C ATOM 1376 CG TYR A 94 1.900 -8.749 -7.375 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.031 -8.625 -8.452 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.031 -9.997 -6.779 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.316 -9.710 -8.921 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.321 -11.087 -7.242 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.465 -10.939 -8.313 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.245 -12.023 -8.777 1.00 0.00 O ATOM 0 H TYR A 94 4.954 -8.695 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 94 3.372 -6.922 -8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.113 -7.806 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.992 -6.728 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.912 -7.664 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.700 -10.117 -5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.356 -9.597 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.435 -12.051 -6.768 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.025 -12.813 -8.240 1.00 0.00 H new ATOM 1392 N CYS A 95 5.565 -5.922 -6.651 1.00 0.00 N ATOM 1393 CA CYS A 95 6.260 -4.758 -6.114 1.00 0.00 C ATOM 1394 C CYS A 95 7.015 -4.019 -7.214 1.00 0.00 C ATOM 1395 O CYS A 95 6.607 -2.940 -7.644 1.00 0.00 O ATOM 1396 CB CYS A 95 7.229 -5.181 -5.009 1.00 0.00 C ATOM 1397 SG CYS A 95 6.440 -6.033 -3.622 1.00 0.00 S ATOM 0 H CYS A 95 6.038 -6.810 -6.483 1.00 0.00 H new ATOM 0 HA CYS A 95 5.514 -4.083 -5.694 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.989 -5.834 -5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.743 -4.296 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 95 5.992 -7.187 -4.019 1.00 0.00 H new ATOM 1403 N TYR A 96 8.118 -4.607 -7.663 1.00 0.00 N ATOM 1404 CA TYR A 96 8.933 -4.003 -8.711 1.00 0.00 C ATOM 1405 C TYR A 96 9.114 -4.964 -9.882 1.00 0.00 C ATOM 1406 O TYR A 96 9.230 -4.543 -11.032 1.00 0.00 O ATOM 1407 CB TYR A 96 10.299 -3.598 -8.153 1.00 0.00 C ATOM 1408 CG TYR A 96 10.254 -2.365 -7.279 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.934 -2.456 -5.930 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.533 -1.108 -7.802 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.891 -1.332 -5.129 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.495 0.021 -7.008 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.173 -0.096 -5.672 1.00 0.00 C ATOM 1414 OH TYR A 96 10.133 1.026 -4.876 1.00 0.00 O ATOM 0 H TYR A 96 8.468 -5.501 -7.318 1.00 0.00 H new ATOM 0 HA TYR A 96 8.416 -3.113 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.707 -4.428 -7.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.983 -3.420 -8.983 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.715 -3.422 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.784 -1.013 -8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.638 -1.420 -4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.716 0.990 -7.431 1.00 0.00 H new ATOM 0 HH TYR A 96 10.358 1.815 -5.412 1.00 0.00 H new ATOM 1424 N GLY A 97 9.138 -6.258 -9.579 1.00 0.00 N ATOM 1425 CA GLY A 97 9.304 -7.260 -10.616 1.00 0.00 C ATOM 1426 C GLY A 97 10.479 -8.180 -10.350 1.00 0.00 C ATOM 1427 O GLY A 97 11.306 -7.929 -9.473 1.00 0.00 O ATOM 0 H GLY A 97 9.045 -6.631 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.393 -7.853 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.445 -6.765 -11.577 1.00 0.00 H new ATOM 1431 N PRO A 98 10.563 -9.276 -11.118 1.00 0.00 N ATOM 1432 CA PRO A 98 11.640 -10.261 -10.979 1.00 0.00 C ATOM 1433 C PRO A 98 12.987 -9.715 -11.440 1.00 0.00 C ATOM 1434 O PRO A 98 13.989 -10.429 -11.438 1.00 0.00 O ATOM 1435 CB PRO A 98 11.190 -11.410 -11.884 1.00 0.00 C ATOM 1436 CG PRO A 98 10.302 -10.770 -12.895 1.00 0.00 C ATOM 1437 CD PRO A 98 9.612 -9.639 -12.183 1.00 0.00 C ATOM 0 HA PRO A 98 11.793 -10.554 -9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.042 -11.898 -12.358 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.659 -12.175 -11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.878 -10.403 -13.744 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.578 -11.484 -13.286 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.419 -8.801 -12.852 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.650 -9.949 -11.774 1.00 0.00 H new ATOM 1445 N GLN A 99 13.003 -8.446 -11.834 1.00 0.00 N ATOM 1446 CA GLN A 99 14.228 -7.805 -12.298 1.00 0.00 C ATOM 1447 C GLN A 99 14.834 -6.933 -11.204 1.00 0.00 C ATOM 1448 O GLN A 99 16.054 -6.803 -11.105 1.00 0.00 O ATOM 1449 CB GLN A 99 13.947 -6.961 -13.543 1.00 0.00 C ATOM 1450 CG GLN A 99 13.042 -7.648 -14.552 1.00 0.00 C ATOM 1451 CD GLN A 99 13.320 -7.212 -15.977 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.749 -6.084 -16.221 1.00 0.00 O ATOM 1453 NE2 GLN A 99 13.077 -8.106 -16.928 1.00 0.00 N ATOM 0 H GLN A 99 12.182 -7.841 -11.841 1.00 0.00 H new ATOM 0 HA GLN A 99 14.944 -8.587 -12.552 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.489 -6.020 -13.238 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.893 -6.714 -14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.171 -8.728 -14.475 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.002 -7.433 -14.307 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.722 -9.030 -16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.246 -7.869 -17.906 1.00 0.00 H new ATOM 1462 N GLY A 100 13.974 -6.337 -10.384 1.00 0.00 N ATOM 1463 CA GLY A 100 14.444 -5.484 -9.308 1.00 0.00 C ATOM 1464 C GLY A 100 14.134 -4.021 -9.550 1.00 0.00 C ATOM 1465 O GLY A 100 13.451 -3.675 -10.514 1.00 0.00 O ATOM 0 H GLY A 100 12.960 -6.430 -10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.984 -5.799 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.521 -5.610 -9.193 1.00 0.00 H new ATOM 1529 N TYR A 105 16.660 0.753 -4.930 1.00 0.00 N ATOM 1530 CA TYR A 105 16.901 -0.550 -5.540 1.00 0.00 C ATOM 1531 C TYR A 105 16.335 -1.670 -4.672 1.00 0.00 C ATOM 1532 O TYR A 105 16.160 -1.506 -3.464 1.00 0.00 O ATOM 1533 CB TYR A 105 18.400 -0.765 -5.757 1.00 0.00 C ATOM 1534 CG TYR A 105 18.770 -2.204 -6.038 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.650 -3.177 -5.054 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.240 -2.590 -7.287 1.00 0.00 C ATOM 1537 CE1 TYR A 105 18.988 -4.493 -5.306 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.579 -3.903 -7.549 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.451 -4.851 -6.555 1.00 0.00 C ATOM 1540 OH TYR A 105 19.789 -6.160 -6.811 1.00 0.00 O ATOM 0 HA TYR A 105 16.394 -0.571 -6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 105 18.731 -0.144 -6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 105 18.939 -0.426 -4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.286 -2.900 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.342 -1.850 -8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.890 -5.237 -4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.942 -4.186 -8.526 1.00 0.00 H new ATOM 0 HH TYR A 105 20.096 -6.243 -7.738 1.00 0.00 H new ATOM 1550 N ILE A 106 16.052 -2.808 -5.297 1.00 0.00 N ATOM 1551 CA ILE A 106 15.509 -3.956 -4.583 1.00 0.00 C ATOM 1552 C ILE A 106 15.796 -5.254 -5.330 1.00 0.00 C ATOM 1553 O ILE A 106 15.734 -5.320 -6.558 1.00 0.00 O ATOM 1554 CB ILE A 106 13.988 -3.822 -4.376 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.239 -4.267 -5.633 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.628 -2.388 -4.017 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.996 -5.759 -5.695 1.00 0.00 C ATOM 0 H ILE A 106 16.190 -2.959 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 106 15.999 -3.983 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 106 13.689 -4.469 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.281 -3.749 -5.678 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.808 -3.963 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.550 -2.308 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.138 -2.104 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.937 -1.723 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.461 -6.003 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.951 -6.284 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.401 -6.067 -4.835 1.00 0.00 H new ATOM 1569 N PRO A 107 16.116 -6.314 -4.573 1.00 0.00 N ATOM 1570 CA PRO A 107 16.416 -7.631 -5.142 1.00 0.00 C ATOM 1571 C PRO A 107 15.181 -8.303 -5.733 1.00 0.00 C ATOM 1572 O PRO A 107 14.056 -8.096 -5.280 1.00 0.00 O ATOM 1573 CB PRO A 107 16.934 -8.427 -3.941 1.00 0.00 C ATOM 1574 CG PRO A 107 16.318 -7.767 -2.756 1.00 0.00 C ATOM 1575 CD PRO A 107 16.208 -6.308 -3.103 1.00 0.00 C ATOM 0 HA PRO A 107 17.126 -7.566 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.644 -9.476 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.022 -8.400 -3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.338 -8.191 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.931 -7.911 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.329 -5.851 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.075 -5.746 -2.757 1.00 0.00 H new ATOM 1583 N PRO A 108 15.394 -9.128 -6.769 1.00 0.00 N ATOM 1584 CA PRO A 108 14.310 -9.848 -7.444 1.00 0.00 C ATOM 1585 C PRO A 108 13.709 -10.943 -6.569 1.00 0.00 C ATOM 1586 O PRO A 108 14.356 -11.439 -5.646 1.00 0.00 O ATOM 1587 CB PRO A 108 14.997 -10.458 -8.668 1.00 0.00 C ATOM 1588 CG PRO A 108 16.429 -10.582 -8.276 1.00 0.00 C ATOM 1589 CD PRO A 108 16.710 -9.422 -7.361 1.00 0.00 C ATOM 0 HA PRO A 108 13.476 -9.191 -7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.570 -11.429 -8.919 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.880 -9.822 -9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.615 -11.530 -7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.077 -10.554 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.445 -9.680 -6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.105 -8.566 -7.907 1.00 0.00 H new ATOM 1597 N HIS A 109 12.468 -11.316 -6.865 1.00 0.00 N ATOM 1598 CA HIS A 109 11.780 -12.354 -6.105 1.00 0.00 C ATOM 1599 C HIS A 109 11.936 -12.123 -4.605 1.00 0.00 C ATOM 1600 O HIS A 109 11.961 -13.071 -3.821 1.00 0.00 O ATOM 1601 CB HIS A 109 12.322 -13.733 -6.480 1.00 0.00 C ATOM 1602 CG HIS A 109 12.302 -14.004 -7.953 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.286 -14.405 -8.792 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 11.171 -13.867 -8.729 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.736 -14.503 -10.047 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.458 -14.174 -9.981 1.00 0.00 N flip ATOM 0 H HIS A 109 11.918 -10.915 -7.625 1.00 0.00 H new ATOM 0 HA HIS A 109 10.719 -12.309 -6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.345 -13.823 -6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.734 -14.496 -5.970 1.00 0.00 H new ATOM 0 HD1 HIS A 109 14.255 -14.598 -8.539 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.201 -13.557 -8.369 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.262 -14.801 -10.942 1.00 0.00 H new ATOM 1615 N ALA A 110 12.042 -10.857 -4.214 1.00 0.00 N ATOM 1616 CA ALA A 110 12.194 -10.502 -2.808 1.00 0.00 C ATOM 1617 C ALA A 110 10.964 -9.764 -2.292 1.00 0.00 C ATOM 1618 O ALA A 110 10.864 -8.544 -2.416 1.00 0.00 O ATOM 1619 CB ALA A 110 13.443 -9.655 -2.610 1.00 0.00 C ATOM 0 H ALA A 110 12.025 -10.060 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 110 12.299 -11.423 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.544 -9.397 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.319 -10.218 -2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.361 -8.743 -3.201 1.00 0.00 H new ATOM 1625 N ALA A 111 10.031 -10.512 -1.713 1.00 0.00 N ATOM 1626 CA ALA A 111 8.808 -9.927 -1.176 1.00 0.00 C ATOM 1627 C ALA A 111 9.104 -8.642 -0.411 1.00 0.00 C ATOM 1628 O ALA A 111 10.238 -8.402 0.005 1.00 0.00 O ATOM 1629 CB ALA A 111 8.095 -10.927 -0.278 1.00 0.00 C ATOM 0 H ALA A 111 10.098 -11.524 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 111 8.156 -9.678 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.184 -10.477 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.841 -11.817 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.749 -11.205 0.548 1.00 0.00 H new ATOM 1635 N LEU A 112 8.078 -7.818 -0.228 1.00 0.00 N ATOM 1636 CA LEU A 112 8.228 -6.556 0.488 1.00 0.00 C ATOM 1637 C LEU A 112 6.936 -6.181 1.207 1.00 0.00 C ATOM 1638 O LEU A 112 5.859 -6.178 0.609 1.00 0.00 O ATOM 1639 CB LEU A 112 8.627 -5.442 -0.481 1.00 0.00 C ATOM 1640 CG LEU A 112 9.842 -5.726 -1.365 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.823 -4.838 -2.600 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.131 -5.524 -0.582 1.00 0.00 C ATOM 0 H LEU A 112 7.133 -8.001 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 112 9.014 -6.680 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.775 -5.227 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.826 -4.539 0.096 1.00 0.00 H new ATOM 0 HG LEU A 112 9.796 -6.766 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.695 -5.054 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.916 -5.031 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.844 -3.791 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.985 -5.731 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.184 -4.494 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.149 -6.202 0.271 1.00 0.00 H new ATOM 1654 N CYS A 113 7.051 -5.863 2.492 1.00 0.00 N ATOM 1655 CA CYS A 113 5.892 -5.484 3.293 1.00 0.00 C ATOM 1656 C CYS A 113 5.570 -4.004 3.117 1.00 0.00 C ATOM 1657 O CYS A 113 6.429 -3.143 3.315 1.00 0.00 O ATOM 1658 CB CYS A 113 6.144 -5.792 4.769 1.00 0.00 C ATOM 1659 SG CYS A 113 4.642 -6.114 5.723 1.00 0.00 S ATOM 0 H CYS A 113 7.935 -5.860 3.001 1.00 0.00 H new ATOM 0 HA CYS A 113 5.037 -6.066 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.800 -6.659 4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 113 6.674 -4.953 5.219 1.00 0.00 H new ATOM 0 HG CYS A 113 4.958 -6.366 6.958 1.00 0.00 H new ATOM 1665 N LEU A 114 4.329 -3.714 2.743 1.00 0.00 N ATOM 1666 CA LEU A 114 3.893 -2.337 2.539 1.00 0.00 C ATOM 1667 C LEU A 114 2.644 -2.034 3.360 1.00 0.00 C ATOM 1668 O LEU A 114 1.699 -2.821 3.383 1.00 0.00 O ATOM 1669 CB LEU A 114 3.616 -2.084 1.056 1.00 0.00 C ATOM 1670 CG LEU A 114 4.603 -2.712 0.071 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.133 -2.508 -1.360 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.995 -2.128 0.266 1.00 0.00 C ATOM 0 H LEU A 114 3.607 -4.414 2.575 1.00 0.00 H new ATOM 0 HA LEU A 114 4.693 -1.675 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.618 -2.455 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.602 -1.007 0.888 1.00 0.00 H new ATOM 0 HG LEU A 114 4.649 -3.783 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.848 -2.962 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.157 -2.975 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.056 -1.441 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.684 -2.586 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.965 -1.051 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.334 -2.328 1.282 1.00 0.00 H new ATOM 1684 N GLU A 115 2.648 -0.886 4.031 1.00 0.00 N ATOM 1685 CA GLU A 115 1.514 -0.478 4.852 1.00 0.00 C ATOM 1686 C GLU A 115 0.717 0.629 4.169 1.00 0.00 C ATOM 1687 O GLU A 115 1.161 1.774 4.096 1.00 0.00 O ATOM 1688 CB GLU A 115 1.995 -0.002 6.225 1.00 0.00 C ATOM 1689 CG GLU A 115 0.867 0.420 7.152 1.00 0.00 C ATOM 1690 CD GLU A 115 1.331 1.370 8.239 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.075 0.924 9.138 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.951 2.558 8.191 1.00 0.00 O ATOM 0 H GLU A 115 3.423 -0.223 4.022 1.00 0.00 H new ATOM 0 HA GLU A 115 0.863 -1.343 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.564 -0.802 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.677 0.837 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.081 0.898 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.428 -0.466 7.611 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.464 0.277 3.668 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.324 1.239 2.990 1.00 0.00 C ATOM 1701 C VAL A 116 -2.262 1.927 3.976 1.00 0.00 C ATOM 1702 O VAL A 116 -2.966 1.270 4.743 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.161 0.565 1.887 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.743 1.608 0.945 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.319 -0.445 1.123 1.00 0.00 C ATOM 0 H VAL A 116 -0.846 -0.667 3.719 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.670 1.983 2.535 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.989 0.033 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.331 1.113 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.382 2.289 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.933 2.170 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.926 -0.912 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.470 0.062 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.956 -1.210 1.810 1.00 0.00 H new ATOM 1715 N THR A 117 -2.268 3.257 3.950 1.00 0.00 N ATOM 1716 CA THR A 117 -3.119 4.035 4.841 1.00 0.00 C ATOM 1717 C THR A 117 -3.834 5.148 4.084 1.00 0.00 C ATOM 1718 O THR A 117 -3.246 6.188 3.787 1.00 0.00 O ATOM 1719 CB THR A 117 -2.307 4.653 5.995 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.864 3.625 6.887 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.141 5.670 6.759 1.00 0.00 C ATOM 0 H THR A 117 -1.693 3.817 3.321 1.00 0.00 H new ATOM 0 HA THR A 117 -3.857 3.348 5.254 1.00 0.00 H new ATOM 0 HB THR A 117 -1.442 5.162 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.347 4.026 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.547 6.093 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.452 6.466 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.022 5.180 7.173 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.107 4.924 3.776 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.904 5.910 3.054 1.00 0.00 C ATOM 1731 C LEU A 118 -6.154 7.144 3.915 1.00 0.00 C ATOM 1732 O LEU A 118 -6.954 7.111 4.851 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.238 5.298 2.621 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.833 5.839 1.321 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.418 7.226 1.538 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.780 5.868 0.223 1.00 0.00 C ATOM 0 H LEU A 118 -5.609 4.069 4.015 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.346 6.214 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.104 4.221 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -7.962 5.452 3.421 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.637 5.173 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.837 7.595 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.204 7.176 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.633 7.903 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.222 6.256 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.954 6.511 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.409 4.858 0.048 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.466 8.234 3.592 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.614 9.481 4.332 1.00 0.00 C ATOM 1750 C LYS A 119 -6.803 10.284 3.812 1.00 0.00 C ATOM 1751 O LYS A 119 -7.759 10.542 4.544 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.336 10.316 4.227 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.109 9.624 4.795 1.00 0.00 C ATOM 1754 CD LYS A 119 -2.855 10.035 6.236 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.823 9.351 7.190 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.459 9.590 8.614 1.00 0.00 N ATOM 0 H LYS A 119 -4.799 8.279 2.821 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.794 9.234 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.155 10.557 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.485 11.260 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.242 8.543 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.238 9.868 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.831 9.783 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.953 11.117 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.833 9.717 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.832 8.279 6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.142 9.108 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.505 9.218 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.475 10.611 8.810 1.00 0.00 H new ATOM 1770 N THR A 120 -6.737 10.677 2.544 1.00 0.00 N ATOM 1771 CA THR A 120 -7.807 11.450 1.926 1.00 0.00 C ATOM 1772 C THR A 120 -7.883 11.184 0.427 1.00 0.00 C ATOM 1773 O THR A 120 -6.880 10.853 -0.205 1.00 0.00 O ATOM 1774 CB THR A 120 -7.616 12.960 2.160 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.265 13.334 1.867 1.00 0.00 O ATOM 1776 CG2 THR A 120 -7.951 13.332 3.597 1.00 0.00 C ATOM 0 H THR A 120 -5.953 10.472 1.924 1.00 0.00 H new ATOM 0 HA THR A 120 -8.738 11.132 2.395 1.00 0.00 H new ATOM 0 HB THR A 120 -8.293 13.497 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.152 14.296 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.809 14.403 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 120 -8.989 13.073 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.296 12.786 4.276 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.077 11.333 -0.136 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.282 11.112 -1.562 1.00 0.00 C ATOM 1786 C ALA A 121 -10.045 12.272 -2.193 1.00 0.00 C ATOM 1787 O ALA A 121 -11.209 12.512 -1.871 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.023 9.803 -1.792 1.00 0.00 C ATOM 0 H ALA A 121 -9.917 11.606 0.374 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.304 11.052 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.169 9.651 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.439 8.978 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.992 9.841 -1.295 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.381 12.990 -3.094 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.997 14.125 -3.771 1.00 0.00 C ATOM 1796 C VAL A 122 -9.608 14.163 -5.244 1.00 0.00 C ATOM 1797 O VAL A 122 -8.697 13.456 -5.675 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.595 15.458 -3.111 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -10.019 15.480 -1.650 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -8.097 15.686 -3.243 1.00 0.00 C ATOM 0 H VAL A 122 -8.417 12.806 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.076 13.997 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 122 -10.110 16.269 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.727 16.429 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.101 15.365 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.534 14.662 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.830 16.632 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.561 14.873 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.825 15.717 -4.298 1.00 0.00 H new ATOM 1810 N ASP A 123 -10.305 14.993 -6.013 1.00 0.00 N ATOM 1811 CA ASP A 123 -10.033 15.124 -7.440 1.00 0.00 C ATOM 1812 C ASP A 123 -8.833 16.035 -7.682 1.00 0.00 C ATOM 1813 O ASP A 123 -8.018 15.782 -8.569 1.00 0.00 O ATOM 1814 CB ASP A 123 -11.261 15.674 -8.167 1.00 0.00 C ATOM 1815 CG ASP A 123 -11.354 15.183 -9.598 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.541 15.633 -10.433 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -12.238 14.350 -9.883 1.00 0.00 O ATOM 0 H ASP A 123 -11.062 15.585 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.801 14.134 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.161 15.382 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -11.226 16.763 -8.161 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.733 17.096 -6.888 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.634 18.046 -7.017 1.00 0.00 C ATOM 1824 C ARG A 124 -6.390 17.540 -6.294 1.00 0.00 C ATOM 1825 O ARG A 124 -6.470 16.832 -5.290 1.00 0.00 O ATOM 1826 CB ARG A 124 -8.043 19.410 -6.458 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.038 19.472 -4.939 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.051 20.481 -4.420 1.00 0.00 C ATOM 1829 NE ARG A 124 -8.995 20.614 -2.966 1.00 0.00 N ATOM 1830 CZ ARG A 124 -9.675 21.529 -2.286 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.459 22.388 -2.923 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -9.572 21.587 -0.964 1.00 0.00 N ATOM 0 H ARG A 124 -9.399 17.320 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.400 18.150 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.366 20.170 -6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.041 19.657 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.264 18.486 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.042 19.741 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.865 21.451 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.054 20.174 -4.718 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.401 19.969 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.541 22.347 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.980 23.090 -2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.970 20.928 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.095 22.290 -0.442 1.00 0.00 H new