USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 667 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 70 THR OG1 : rot -179:sc= -2.39! USER MOD Set 1.2: A 71 LYS NZ :NH3+ -109:sc= 0.244 (180deg=0) USER MOD Set 1.3: A 72 HIS : no HE2:sc= -1.06 X(o=-3.2,f=-3.4) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= -0.0437 USER MOD Set 2.2: A 55 HIS : no HD1:sc= -3.61! C(o=-5!,f=-6.4!) USER MOD Set 2.3: A 65 TYR OH : rot 30:sc= -1.37 USER MOD Set 3.1: A 13 MET CE :methyl -169:sc= -5.79! (180deg=-6.05!) USER MOD Set 3.2: A 17 MET CE :methyl -118:sc= -2.24 (180deg=-0.562) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.042 (180deg=-0.298) USER MOD Single : A 10 ASN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -7.76! C(o=-7.8!,f=-9.4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot -87:sc= -0.522 USER MOD Single : A 26 THR OG1 : rot 66:sc= 0.736 USER MOD Single : A 27 GLN : amide:sc= -4.94! C(o=-4.9!,f=-9.1!) USER MOD Single : A 29 MET CE :methyl -144:sc= -0.129 (180deg=-0.733) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0382 (180deg=-0.268) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 43:sc= 0.136 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= -1.78 (180deg=-1.9) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= -0.0172 (180deg=-0.247) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3.24 K(o=-3.2,f=-5.6!) USER MOD Single : A 56 CYS SG : rot 22:sc= -2.34 USER MOD Single : A 61 ASN : amide:sc= -4.92! C(o=-4.9!,f=-1.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-4.4!) USER MOD Single : A 75 TYR OH : rot -80:sc= -5.51! USER MOD Single : A 77 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 80 GLN : amide:sc= -2.39! C(o=-2.4!,f=-1.9!) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.04) USER MOD Single : A 88 SER OG : rot 180:sc= -1.98 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 7.020 8.267 4.611 1.00 0.00 N ATOM 90 CA ALA A 6 6.941 6.871 5.026 1.00 0.00 C ATOM 91 C ALA A 6 6.604 6.758 6.507 1.00 0.00 C ATOM 92 O ALA A 6 7.470 6.924 7.367 1.00 0.00 O ATOM 93 CB ALA A 6 8.247 6.151 4.721 1.00 0.00 C ATOM 0 HA ALA A 6 6.140 6.395 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.171 5.111 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.443 6.192 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.063 6.635 5.258 1.00 0.00 H new ATOM 99 N VAL A 7 5.340 6.474 6.800 1.00 0.00 N ATOM 100 CA VAL A 7 4.885 6.338 8.177 1.00 0.00 C ATOM 101 C VAL A 7 3.880 5.198 8.309 1.00 0.00 C ATOM 102 O VAL A 7 2.722 5.332 7.913 1.00 0.00 O ATOM 103 CB VAL A 7 4.237 7.642 8.683 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.834 7.514 10.145 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.179 8.819 8.482 1.00 0.00 C ATOM 0 H VAL A 7 4.611 6.333 6.100 1.00 0.00 H new ATOM 0 HA VAL A 7 5.763 6.118 8.784 1.00 0.00 H new ATOM 0 HB VAL A 7 3.334 7.824 8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.379 8.446 10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.117 6.700 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.717 7.304 10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.705 9.731 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.102 8.645 9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.407 8.926 7.421 1.00 0.00 H new ATOM 115 N ILE A 8 4.328 4.080 8.868 1.00 0.00 N ATOM 116 CA ILE A 8 3.462 2.923 9.050 1.00 0.00 C ATOM 117 C ILE A 8 2.608 3.075 10.300 1.00 0.00 C ATOM 118 O ILE A 8 3.014 2.685 11.395 1.00 0.00 O ATOM 119 CB ILE A 8 4.268 1.608 9.142 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.056 1.371 7.854 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.345 0.429 9.421 1.00 0.00 C ATOM 122 CD1 ILE A 8 6.130 2.402 7.603 1.00 0.00 C ATOM 0 H ILE A 8 5.283 3.951 9.202 1.00 0.00 H new ATOM 0 HA ILE A 8 2.818 2.873 8.172 1.00 0.00 H new ATOM 0 HB ILE A 8 4.972 1.698 9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.515 0.383 7.896 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.365 1.366 7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.933 -0.487 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.825 0.590 10.365 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.616 0.339 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.647 2.169 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.676 3.390 7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.844 2.392 8.427 1.00 0.00 H new ATOM 134 N LYS A 9 1.417 3.637 10.129 1.00 0.00 N ATOM 135 CA LYS A 9 0.499 3.832 11.239 1.00 0.00 C ATOM 136 C LYS A 9 0.192 2.502 11.927 1.00 0.00 C ATOM 137 O LYS A 9 -0.259 2.475 13.073 1.00 0.00 O ATOM 138 CB LYS A 9 -0.791 4.471 10.728 1.00 0.00 C ATOM 139 CG LYS A 9 -1.762 4.859 11.824 1.00 0.00 C ATOM 140 CD LYS A 9 -2.988 5.539 11.244 1.00 0.00 C ATOM 141 CE LYS A 9 -3.782 4.594 10.357 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.242 3.387 11.098 1.00 0.00 N ATOM 0 H LYS A 9 1.066 3.965 9.229 1.00 0.00 H new ATOM 0 HA LYS A 9 0.966 4.493 11.970 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.540 5.359 10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.284 3.776 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.062 3.971 12.380 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.271 5.527 12.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.623 5.899 12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.682 6.411 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.645 5.120 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.166 4.287 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.979 2.901 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.439 2.743 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.630 3.672 12.020 1.00 0.00 H new ATOM 156 N ASN A 10 0.446 1.400 11.220 1.00 0.00 N ATOM 157 CA ASN A 10 0.205 0.065 11.757 1.00 0.00 C ATOM 158 C ASN A 10 0.567 -0.998 10.721 1.00 0.00 C ATOM 159 O ASN A 10 0.159 -0.912 9.564 1.00 0.00 O ATOM 160 CB ASN A 10 -1.259 -0.089 12.178 1.00 0.00 C ATOM 161 CG ASN A 10 -1.550 -1.449 12.779 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.928 -1.853 13.761 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.504 -2.162 12.193 1.00 0.00 N ATOM 0 H ASN A 10 0.820 1.409 10.271 1.00 0.00 H new ATOM 0 HA ASN A 10 0.836 -0.070 12.635 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.509 0.686 12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.901 0.067 11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.747 -3.084 12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.994 -1.788 11.381 1.00 0.00 H new ATOM 170 N ALA A 11 1.341 -1.992 11.142 1.00 0.00 N ATOM 171 CA ALA A 11 1.762 -3.061 10.244 1.00 0.00 C ATOM 172 C ALA A 11 1.305 -4.426 10.744 1.00 0.00 C ATOM 173 O ALA A 11 1.509 -4.771 11.909 1.00 0.00 O ATOM 174 CB ALA A 11 3.275 -3.045 10.083 1.00 0.00 C ATOM 0 H ALA A 11 1.689 -2.080 12.097 1.00 0.00 H new ATOM 0 HA ALA A 11 1.293 -2.885 9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.578 -3.848 9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.587 -2.087 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.746 -3.189 11.055 1.00 0.00 H new ATOM 180 N ASP A 12 0.692 -5.202 9.857 1.00 0.00 N ATOM 181 CA ASP A 12 0.213 -6.532 10.212 1.00 0.00 C ATOM 182 C ASP A 12 0.626 -7.573 9.168 1.00 0.00 C ATOM 183 O ASP A 12 0.255 -8.742 9.275 1.00 0.00 O ATOM 184 CB ASP A 12 -1.309 -6.522 10.369 1.00 0.00 C ATOM 185 CG ASP A 12 -1.861 -7.876 10.770 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.474 -8.381 11.845 1.00 0.00 O ATOM 187 OD2 ASP A 12 -2.679 -8.432 10.008 1.00 0.00 O ATOM 0 H ASP A 12 0.515 -4.933 8.889 1.00 0.00 H new ATOM 0 HA ASP A 12 0.671 -6.808 11.162 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.589 -5.783 11.120 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.766 -6.211 9.429 1.00 0.00 H new ATOM 192 N MET A 13 1.394 -7.154 8.160 1.00 0.00 N ATOM 193 CA MET A 13 1.837 -8.076 7.118 1.00 0.00 C ATOM 194 C MET A 13 3.252 -8.594 7.386 1.00 0.00 C ATOM 195 O MET A 13 4.107 -8.592 6.500 1.00 0.00 O ATOM 196 CB MET A 13 1.750 -7.414 5.739 1.00 0.00 C ATOM 197 CG MET A 13 0.358 -7.448 5.141 1.00 0.00 C ATOM 198 SD MET A 13 -0.274 -9.123 4.937 1.00 0.00 S ATOM 199 CE MET A 13 0.996 -9.840 3.900 1.00 0.00 C ATOM 0 H MET A 13 1.718 -6.194 8.045 1.00 0.00 H new ATOM 0 HA MET A 13 1.168 -8.936 7.131 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.077 -6.377 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.441 -7.914 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.321 -6.884 5.780 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.372 -6.949 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.658 -10.806 3.526 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.198 -9.176 3.060 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.907 -9.976 4.482 1.00 0.00 H new ATOM 209 N SER A 14 3.472 -9.056 8.616 1.00 0.00 N ATOM 210 CA SER A 14 4.755 -9.610 9.044 1.00 0.00 C ATOM 211 C SER A 14 5.820 -8.534 9.163 1.00 0.00 C ATOM 212 O SER A 14 6.344 -8.283 10.248 1.00 0.00 O ATOM 213 CB SER A 14 5.222 -10.697 8.071 1.00 0.00 C ATOM 214 OG SER A 14 4.269 -11.741 7.978 1.00 0.00 O ATOM 0 H SER A 14 2.761 -9.056 9.347 1.00 0.00 H new ATOM 0 HA SER A 14 4.606 -10.049 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.386 -10.261 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.178 -11.101 8.404 1.00 0.00 H new ATOM 0 HG SER A 14 4.589 -12.421 7.350 1.00 0.00 H new ATOM 220 N GLU A 15 6.130 -7.914 8.035 1.00 0.00 N ATOM 221 CA GLU A 15 7.145 -6.855 7.964 1.00 0.00 C ATOM 222 C GLU A 15 7.652 -6.690 6.533 1.00 0.00 C ATOM 223 O GLU A 15 7.845 -5.571 6.047 1.00 0.00 O ATOM 224 CB GLU A 15 8.335 -7.158 8.885 1.00 0.00 C ATOM 225 CG GLU A 15 8.949 -8.528 8.650 1.00 0.00 C ATOM 226 CD GLU A 15 10.118 -8.809 9.575 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.915 -8.803 10.807 1.00 0.00 O ATOM 228 OE2 GLU A 15 11.236 -9.037 9.067 1.00 0.00 O ATOM 0 H GLU A 15 5.690 -8.125 7.139 1.00 0.00 H new ATOM 0 HA GLU A 15 6.670 -5.931 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.100 -6.396 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.008 -7.088 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.186 -9.293 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.284 -8.600 7.615 1.00 0.00 H new ATOM 235 N ASP A 16 7.876 -7.820 5.869 1.00 0.00 N ATOM 236 CA ASP A 16 8.370 -7.821 4.496 1.00 0.00 C ATOM 237 C ASP A 16 7.503 -6.941 3.603 1.00 0.00 C ATOM 238 O ASP A 16 7.998 -6.309 2.670 1.00 0.00 O ATOM 239 CB ASP A 16 8.406 -9.248 3.945 1.00 0.00 C ATOM 240 CG ASP A 16 9.297 -10.164 4.762 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.884 -9.690 5.758 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.408 -11.356 4.405 1.00 0.00 O ATOM 0 H ASP A 16 7.723 -8.749 6.261 1.00 0.00 H new ATOM 0 HA ASP A 16 9.382 -7.415 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.394 -9.653 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.760 -9.227 2.914 1.00 0.00 H new ATOM 247 N MET A 17 6.211 -6.893 3.903 1.00 0.00 N ATOM 248 CA MET A 17 5.286 -6.076 3.130 1.00 0.00 C ATOM 249 C MET A 17 5.505 -4.608 3.434 1.00 0.00 C ATOM 250 O MET A 17 5.271 -3.749 2.587 1.00 0.00 O ATOM 251 CB MET A 17 3.831 -6.468 3.415 1.00 0.00 C ATOM 252 CG MET A 17 3.423 -7.799 2.798 1.00 0.00 C ATOM 253 SD MET A 17 4.387 -9.191 3.421 1.00 0.00 S ATOM 254 CE MET A 17 3.691 -10.540 2.470 1.00 0.00 C ATOM 0 H MET A 17 5.782 -7.408 4.672 1.00 0.00 H new ATOM 0 HA MET A 17 5.481 -6.252 2.072 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.682 -6.517 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.173 -5.686 3.037 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.367 -7.977 2.999 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.537 -7.741 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.230 -11.261 3.145 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.938 -10.151 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.481 -11.030 1.901 1.00 0.00 H new ATOM 264 N GLN A 18 5.978 -4.315 4.639 1.00 0.00 N ATOM 265 CA GLN A 18 6.246 -2.940 5.007 1.00 0.00 C ATOM 266 C GLN A 18 7.339 -2.411 4.097 1.00 0.00 C ATOM 267 O GLN A 18 7.205 -1.355 3.480 1.00 0.00 O ATOM 268 CB GLN A 18 6.694 -2.832 6.466 1.00 0.00 C ATOM 269 CG GLN A 18 5.907 -3.713 7.420 1.00 0.00 C ATOM 270 CD GLN A 18 4.408 -3.536 7.306 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.895 -2.417 7.338 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.696 -4.653 7.187 1.00 0.00 N ATOM 0 H GLN A 18 6.180 -5.003 5.365 1.00 0.00 H new ATOM 0 HA GLN A 18 5.333 -2.355 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.750 -3.095 6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.604 -1.794 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.157 -4.757 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.214 -3.493 8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.166 -5.558 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.679 -4.605 7.118 1.00 0.00 H new ATOM 281 N GLN A 19 8.415 -3.181 4.003 1.00 0.00 N ATOM 282 CA GLN A 19 9.538 -2.822 3.159 1.00 0.00 C ATOM 283 C GLN A 19 9.201 -3.019 1.684 1.00 0.00 C ATOM 284 O GLN A 19 9.663 -2.262 0.829 1.00 0.00 O ATOM 285 CB GLN A 19 10.763 -3.657 3.534 1.00 0.00 C ATOM 286 CG GLN A 19 11.986 -3.349 2.693 1.00 0.00 C ATOM 287 CD GLN A 19 13.189 -4.185 3.082 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.656 -4.131 4.220 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.699 -4.966 2.136 1.00 0.00 N ATOM 0 H GLN A 19 8.530 -4.061 4.505 1.00 0.00 H new ATOM 0 HA GLN A 19 9.760 -1.767 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.002 -3.486 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.518 -4.714 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.753 -3.522 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.235 -2.293 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.281 -4.980 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.509 -5.552 2.340 1.00 0.00 H new ATOM 298 N ASP A 20 8.392 -4.031 1.385 1.00 0.00 N ATOM 299 CA ASP A 20 8.013 -4.304 0.007 1.00 0.00 C ATOM 300 C ASP A 20 6.990 -3.284 -0.476 1.00 0.00 C ATOM 301 O ASP A 20 7.260 -2.502 -1.387 1.00 0.00 O ATOM 302 CB ASP A 20 7.449 -5.721 -0.122 1.00 0.00 C ATOM 303 CG ASP A 20 7.204 -6.115 -1.565 1.00 0.00 C ATOM 304 OD1 ASP A 20 8.168 -6.093 -2.358 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.050 -6.455 -1.901 1.00 0.00 O ATOM 0 H ASP A 20 7.991 -4.669 2.072 1.00 0.00 H new ATOM 0 HA ASP A 20 8.904 -4.226 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.143 -6.428 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.514 -5.789 0.434 1.00 0.00 H new ATOM 310 N ALA A 21 5.818 -3.294 0.147 1.00 0.00 N ATOM 311 CA ALA A 21 4.748 -2.371 -0.209 1.00 0.00 C ATOM 312 C ALA A 21 5.256 -0.934 -0.281 1.00 0.00 C ATOM 313 O ALA A 21 4.962 -0.211 -1.235 1.00 0.00 O ATOM 314 CB ALA A 21 3.606 -2.479 0.789 1.00 0.00 C ATOM 0 H ALA A 21 5.584 -3.935 0.905 1.00 0.00 H new ATOM 0 HA ALA A 21 4.382 -2.646 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.813 -1.784 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.215 -3.496 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.970 -2.234 1.787 1.00 0.00 H new ATOM 320 N VAL A 22 6.025 -0.524 0.725 1.00 0.00 N ATOM 321 CA VAL A 22 6.571 0.828 0.754 1.00 0.00 C ATOM 322 C VAL A 22 7.444 1.092 -0.472 1.00 0.00 C ATOM 323 O VAL A 22 7.214 2.053 -1.207 1.00 0.00 O ATOM 324 CB VAL A 22 7.379 1.086 2.045 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.161 2.390 1.950 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.450 1.117 3.249 1.00 0.00 C ATOM 0 H VAL A 22 6.282 -1.104 1.524 1.00 0.00 H new ATOM 0 HA VAL A 22 5.726 1.517 0.738 1.00 0.00 H new ATOM 0 HB VAL A 22 8.092 0.271 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.721 2.547 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.853 2.339 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.469 3.219 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.032 1.300 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.717 1.913 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.935 0.160 3.336 1.00 0.00 H new ATOM 336 N ASP A 23 8.437 0.236 -0.699 1.00 0.00 N ATOM 337 CA ASP A 23 9.320 0.398 -1.850 1.00 0.00 C ATOM 338 C ASP A 23 8.534 0.298 -3.146 1.00 0.00 C ATOM 339 O ASP A 23 8.891 0.920 -4.144 1.00 0.00 O ATOM 340 CB ASP A 23 10.446 -0.636 -1.823 1.00 0.00 C ATOM 341 CG ASP A 23 11.454 -0.366 -0.723 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.043 -0.298 0.455 1.00 0.00 O ATOM 343 OD2 ASP A 23 12.653 -0.221 -1.040 1.00 0.00 O ATOM 0 H ASP A 23 8.649 -0.568 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 23 9.769 1.390 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.020 -1.630 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.956 -0.639 -2.786 1.00 0.00 H new ATOM 348 N CYS A 24 7.445 -0.458 -3.125 1.00 0.00 N ATOM 349 CA CYS A 24 6.606 -0.586 -4.306 1.00 0.00 C ATOM 350 C CYS A 24 5.870 0.724 -4.527 1.00 0.00 C ATOM 351 O CYS A 24 5.645 1.146 -5.662 1.00 0.00 O ATOM 352 CB CYS A 24 5.615 -1.740 -4.152 1.00 0.00 C ATOM 353 SG CYS A 24 6.393 -3.361 -3.953 1.00 0.00 S ATOM 0 H CYS A 24 7.125 -0.986 -2.313 1.00 0.00 H new ATOM 0 HA CYS A 24 7.232 -0.807 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.979 -1.546 -3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.965 -1.766 -5.027 1.00 0.00 H new ATOM 0 HG CYS A 24 6.628 -3.876 -5.123 1.00 0.00 H new ATOM 359 N ALA A 25 5.529 1.383 -3.423 1.00 0.00 N ATOM 360 CA ALA A 25 4.853 2.667 -3.477 1.00 0.00 C ATOM 361 C ALA A 25 5.859 3.761 -3.810 1.00 0.00 C ATOM 362 O ALA A 25 5.513 4.774 -4.421 1.00 0.00 O ATOM 363 CB ALA A 25 4.155 2.960 -2.155 1.00 0.00 C ATOM 0 H ALA A 25 5.712 1.044 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 25 4.093 2.637 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.654 3.926 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.419 2.182 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.891 2.982 -1.352 1.00 0.00 H new ATOM 369 N THR A 26 7.116 3.539 -3.422 1.00 0.00 N ATOM 370 CA THR A 26 8.178 4.497 -3.698 1.00 0.00 C ATOM 371 C THR A 26 8.558 4.428 -5.169 1.00 0.00 C ATOM 372 O THR A 26 8.584 5.444 -5.864 1.00 0.00 O ATOM 373 CB THR A 26 9.397 4.211 -2.822 1.00 0.00 C ATOM 374 OG1 THR A 26 9.055 4.275 -1.449 1.00 0.00 O ATOM 375 CG2 THR A 26 10.540 5.176 -3.054 1.00 0.00 C ATOM 0 H THR A 26 7.419 2.706 -2.918 1.00 0.00 H new ATOM 0 HA THR A 26 7.819 5.500 -3.468 1.00 0.00 H new ATOM 0 HB THR A 26 9.724 3.210 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.433 3.549 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.373 4.917 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.862 5.116 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.209 6.191 -2.835 1.00 0.00 H new ATOM 383 N GLN A 27 8.832 3.217 -5.644 1.00 0.00 N ATOM 384 CA GLN A 27 9.186 3.014 -7.042 1.00 0.00 C ATOM 385 C GLN A 27 7.985 3.291 -7.939 1.00 0.00 C ATOM 386 O GLN A 27 8.136 3.616 -9.116 1.00 0.00 O ATOM 387 CB GLN A 27 9.699 1.592 -7.270 1.00 0.00 C ATOM 388 CG GLN A 27 11.132 1.369 -6.806 1.00 0.00 C ATOM 389 CD GLN A 27 11.349 1.719 -5.347 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.207 2.873 -4.945 1.00 0.00 O ATOM 391 NE2 GLN A 27 11.698 0.722 -4.546 1.00 0.00 N ATOM 0 H GLN A 27 8.816 2.365 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 27 9.983 3.712 -7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.046 0.893 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.631 1.358 -8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.401 0.325 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.803 1.969 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.805 -0.220 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.860 0.897 -3.554 1.00 0.00 H new ATOM 400 N ALA A 28 6.787 3.168 -7.370 1.00 0.00 N ATOM 401 CA ALA A 28 5.561 3.413 -8.116 1.00 0.00 C ATOM 402 C ALA A 28 5.399 4.898 -8.421 1.00 0.00 C ATOM 403 O ALA A 28 5.093 5.281 -9.550 1.00 0.00 O ATOM 404 CB ALA A 28 4.358 2.896 -7.340 1.00 0.00 C ATOM 0 H ALA A 28 6.643 2.900 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 28 5.624 2.876 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.448 3.086 -7.910 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.465 1.824 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.298 3.407 -6.379 1.00 0.00 H new ATOM 410 N MET A 29 5.611 5.732 -7.407 1.00 0.00 N ATOM 411 CA MET A 29 5.493 7.178 -7.569 1.00 0.00 C ATOM 412 C MET A 29 6.635 7.727 -8.417 1.00 0.00 C ATOM 413 O MET A 29 6.474 8.725 -9.121 1.00 0.00 O ATOM 414 CB MET A 29 5.473 7.870 -6.205 1.00 0.00 C ATOM 415 CG MET A 29 4.269 7.503 -5.354 1.00 0.00 C ATOM 416 SD MET A 29 2.708 7.980 -6.119 1.00 0.00 S ATOM 417 CE MET A 29 2.933 9.751 -6.269 1.00 0.00 C ATOM 0 H MET A 29 5.865 5.432 -6.466 1.00 0.00 H new ATOM 0 HA MET A 29 4.554 7.383 -8.083 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.383 7.612 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.486 8.950 -6.354 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.269 6.428 -5.176 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.355 7.987 -4.381 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.981 10.254 -6.098 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.660 10.089 -5.531 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.295 9.988 -7.269 1.00 0.00 H new ATOM 427 N GLU A 30 7.787 7.068 -8.354 1.00 0.00 N ATOM 428 CA GLU A 30 8.950 7.490 -9.125 1.00 0.00 C ATOM 429 C GLU A 30 8.813 7.047 -10.576 1.00 0.00 C ATOM 430 O GLU A 30 9.021 7.835 -11.499 1.00 0.00 O ATOM 431 CB GLU A 30 10.234 6.917 -8.521 1.00 0.00 C ATOM 432 CG GLU A 30 10.541 7.449 -7.130 1.00 0.00 C ATOM 433 CD GLU A 30 11.804 6.849 -6.544 1.00 0.00 C ATOM 434 OE1 GLU A 30 12.882 7.019 -7.154 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.717 6.208 -5.475 1.00 0.00 O ATOM 0 H GLU A 30 7.940 6.240 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 30 9.005 8.578 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.152 5.831 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.070 7.146 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.644 8.533 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.701 7.235 -6.469 1.00 0.00 H new ATOM 442 N LYS A 31 8.455 5.783 -10.768 1.00 0.00 N ATOM 443 CA LYS A 31 8.279 5.234 -12.105 1.00 0.00 C ATOM 444 C LYS A 31 6.967 5.714 -12.718 1.00 0.00 C ATOM 445 O LYS A 31 6.801 5.701 -13.938 1.00 0.00 O ATOM 446 CB LYS A 31 8.305 3.703 -12.060 1.00 0.00 C ATOM 447 CG LYS A 31 8.127 3.052 -13.422 1.00 0.00 C ATOM 448 CD LYS A 31 9.222 3.472 -14.388 1.00 0.00 C ATOM 449 CE LYS A 31 9.038 2.828 -15.754 1.00 0.00 C ATOM 450 NZ LYS A 31 9.062 1.340 -15.677 1.00 0.00 N ATOM 0 H LYS A 31 8.281 5.119 -10.013 1.00 0.00 H new ATOM 0 HA LYS A 31 9.102 5.585 -12.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.252 3.376 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.516 3.354 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.134 1.968 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.155 3.324 -13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.220 4.557 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.194 3.193 -13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.091 3.154 -16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.826 3.169 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.172 0.945 -16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.859 1.036 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.171 0.999 -15.262 1.00 0.00 H new ATOM 464 N TYR A 32 6.035 6.139 -11.868 1.00 0.00 N ATOM 465 CA TYR A 32 4.740 6.622 -12.333 1.00 0.00 C ATOM 466 C TYR A 32 4.281 7.828 -11.519 1.00 0.00 C ATOM 467 O TYR A 32 4.457 7.872 -10.303 1.00 0.00 O ATOM 468 CB TYR A 32 3.696 5.509 -12.252 1.00 0.00 C ATOM 469 CG TYR A 32 4.026 4.304 -13.103 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.174 4.421 -14.480 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.190 3.048 -12.530 1.00 0.00 C ATOM 472 CE1 TYR A 32 4.477 3.323 -15.261 1.00 0.00 C ATOM 473 CE2 TYR A 32 4.494 1.945 -13.304 1.00 0.00 C ATOM 474 CZ TYR A 32 4.637 2.087 -14.669 1.00 0.00 C ATOM 475 OH TYR A 32 4.938 0.991 -15.444 1.00 0.00 O ATOM 0 H TYR A 32 6.154 6.158 -10.855 1.00 0.00 H new ATOM 0 HA TYR A 32 4.850 6.931 -13.372 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.595 5.193 -11.214 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.729 5.907 -12.560 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.050 5.387 -14.947 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.078 2.933 -11.462 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.588 3.431 -16.330 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.619 0.976 -12.843 1.00 0.00 H new ATOM 0 HH TYR A 32 5.018 0.199 -14.873 1.00 0.00 H new ATOM 485 N ASN A 33 3.691 8.806 -12.200 1.00 0.00 N ATOM 486 CA ASN A 33 3.207 10.013 -11.541 1.00 0.00 C ATOM 487 C ASN A 33 1.681 10.066 -11.552 1.00 0.00 C ATOM 488 O ASN A 33 1.088 11.146 -11.558 1.00 0.00 O ATOM 489 CB ASN A 33 3.776 11.257 -12.226 1.00 0.00 C ATOM 490 CG ASN A 33 5.291 11.295 -12.186 1.00 0.00 C ATOM 491 OD1 ASN A 33 5.896 11.301 -11.114 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.914 11.321 -13.359 1.00 0.00 N ATOM 0 H ASN A 33 3.537 8.786 -13.208 1.00 0.00 H new ATOM 0 HA ASN A 33 3.545 9.990 -10.505 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.442 11.283 -13.263 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.380 12.149 -11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.933 11.347 -13.395 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.373 11.315 -14.224 1.00 0.00 H new ATOM 499 N ILE A 34 1.052 8.896 -11.553 1.00 0.00 N ATOM 500 CA ILE A 34 -0.402 8.808 -11.561 1.00 0.00 C ATOM 501 C ILE A 34 -0.888 8.141 -10.277 1.00 0.00 C ATOM 502 O ILE A 34 -0.080 7.649 -9.491 1.00 0.00 O ATOM 503 CB ILE A 34 -0.901 8.004 -12.780 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.125 8.413 -14.035 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.394 8.217 -12.989 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.562 7.681 -15.288 1.00 0.00 C ATOM 0 H ILE A 34 1.528 7.994 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.804 9.819 -11.625 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.729 6.945 -12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.244 9.485 -14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.937 8.231 -13.870 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.726 7.642 -13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.936 7.887 -12.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.590 9.275 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.032 8.023 -16.135 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.417 6.609 -15.153 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.616 7.883 -15.479 1.00 0.00 H new ATOM 518 N GLU A 35 -2.197 8.126 -10.056 1.00 0.00 N ATOM 519 CA GLU A 35 -2.751 7.509 -8.856 1.00 0.00 C ATOM 520 C GLU A 35 -3.528 6.237 -9.194 1.00 0.00 C ATOM 521 O GLU A 35 -4.283 5.723 -8.368 1.00 0.00 O ATOM 522 CB GLU A 35 -3.662 8.496 -8.121 1.00 0.00 C ATOM 523 CG GLU A 35 -2.952 9.765 -7.680 1.00 0.00 C ATOM 524 CD GLU A 35 -3.875 10.725 -6.954 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.430 10.337 -5.906 1.00 0.00 O ATOM 526 OE2 GLU A 35 -4.040 11.867 -7.435 1.00 0.00 O ATOM 0 H GLU A 35 -2.890 8.530 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.918 7.238 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.495 8.763 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.086 8.004 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.119 9.503 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.529 10.263 -8.553 1.00 0.00 H new ATOM 533 N LYS A 36 -3.329 5.725 -10.406 1.00 0.00 N ATOM 534 CA LYS A 36 -4.001 4.511 -10.844 1.00 0.00 C ATOM 535 C LYS A 36 -2.979 3.436 -11.182 1.00 0.00 C ATOM 536 O LYS A 36 -3.039 2.322 -10.661 1.00 0.00 O ATOM 537 CB LYS A 36 -4.892 4.791 -12.055 1.00 0.00 C ATOM 538 CG LYS A 36 -6.002 5.791 -11.776 1.00 0.00 C ATOM 539 CD LYS A 36 -6.872 6.013 -13.002 1.00 0.00 C ATOM 540 CE LYS A 36 -7.991 7.001 -12.719 1.00 0.00 C ATOM 541 NZ LYS A 36 -8.856 7.219 -13.913 1.00 0.00 N ATOM 0 H LYS A 36 -2.706 6.135 -11.102 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.631 4.156 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.274 5.165 -12.871 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.335 3.854 -12.394 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.618 5.432 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.568 6.740 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.258 6.383 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.297 5.063 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.599 6.633 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.564 7.952 -12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.607 7.899 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.281 7.594 -14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.285 6.316 -14.201 1.00 0.00 H new ATOM 555 N ASP A 37 -2.025 3.780 -12.040 1.00 0.00 N ATOM 556 CA ASP A 37 -0.975 2.843 -12.422 1.00 0.00 C ATOM 557 C ASP A 37 -0.222 2.372 -11.181 1.00 0.00 C ATOM 558 O ASP A 37 0.380 1.299 -11.174 1.00 0.00 O ATOM 559 CB ASP A 37 -0.005 3.498 -13.408 1.00 0.00 C ATOM 560 CG ASP A 37 -0.695 3.955 -14.678 1.00 0.00 C ATOM 561 OD1 ASP A 37 -1.613 4.798 -14.588 1.00 0.00 O ATOM 562 OD2 ASP A 37 -0.315 3.472 -15.767 1.00 0.00 O ATOM 0 H ASP A 37 -1.957 4.697 -12.482 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.435 1.983 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.473 4.353 -12.930 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.785 2.791 -13.661 1.00 0.00 H new ATOM 567 N ILE A 38 -0.276 3.186 -10.130 1.00 0.00 N ATOM 568 CA ILE A 38 0.383 2.869 -8.874 1.00 0.00 C ATOM 569 C ILE A 38 -0.252 1.641 -8.227 1.00 0.00 C ATOM 570 O ILE A 38 0.423 0.649 -7.958 1.00 0.00 O ATOM 571 CB ILE A 38 0.298 4.054 -7.889 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.841 5.328 -8.539 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.062 3.740 -6.610 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.310 5.258 -8.879 1.00 0.00 C ATOM 0 H ILE A 38 -0.774 4.076 -10.128 1.00 0.00 H new ATOM 0 HA ILE A 38 1.430 2.664 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.749 4.216 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.276 5.530 -9.449 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.673 6.169 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.991 4.586 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.633 2.856 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.109 3.552 -6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.623 6.197 -9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.886 5.087 -7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.483 4.439 -9.577 1.00 0.00 H new ATOM 586 N ALA A 39 -1.558 1.719 -7.982 1.00 0.00 N ATOM 587 CA ALA A 39 -2.285 0.615 -7.366 1.00 0.00 C ATOM 588 C ALA A 39 -2.266 -0.628 -8.252 1.00 0.00 C ATOM 589 O ALA A 39 -2.531 -1.735 -7.787 1.00 0.00 O ATOM 590 CB ALA A 39 -3.717 1.029 -7.066 1.00 0.00 C ATOM 0 H ALA A 39 -2.132 2.533 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.785 0.365 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.248 0.195 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.715 1.878 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.216 1.310 -7.993 1.00 0.00 H new ATOM 596 N ALA A 40 -1.950 -0.440 -9.529 1.00 0.00 N ATOM 597 CA ALA A 40 -1.897 -1.551 -10.468 1.00 0.00 C ATOM 598 C ALA A 40 -0.552 -2.258 -10.399 1.00 0.00 C ATOM 599 O ALA A 40 -0.480 -3.483 -10.431 1.00 0.00 O ATOM 600 CB ALA A 40 -2.171 -1.065 -11.883 1.00 0.00 C ATOM 0 H ALA A 40 -1.728 0.469 -9.935 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.671 -2.267 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.127 -1.908 -12.572 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.161 -0.611 -11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.421 -0.326 -12.166 1.00 0.00 H new ATOM 606 N TYR A 41 0.513 -1.477 -10.298 1.00 0.00 N ATOM 607 CA TYR A 41 1.858 -2.031 -10.219 1.00 0.00 C ATOM 608 C TYR A 41 2.110 -2.658 -8.853 1.00 0.00 C ATOM 609 O TYR A 41 2.962 -3.533 -8.709 1.00 0.00 O ATOM 610 CB TYR A 41 2.893 -0.940 -10.513 1.00 0.00 C ATOM 611 CG TYR A 41 4.331 -1.408 -10.438 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.913 -1.750 -9.221 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.107 -1.510 -11.585 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.225 -2.176 -9.153 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.420 -1.936 -11.525 1.00 0.00 C ATOM 616 CZ TYR A 41 6.975 -2.268 -10.306 1.00 0.00 C ATOM 617 OH TYR A 41 8.281 -2.693 -10.242 1.00 0.00 O ATOM 0 H TYR A 41 0.473 -0.458 -10.269 1.00 0.00 H new ATOM 0 HA TYR A 41 1.953 -2.816 -10.969 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.706 -0.537 -11.508 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.752 -0.122 -9.806 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.329 -1.681 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.676 -1.252 -12.541 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.662 -2.436 -8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.009 -2.009 -12.427 1.00 0.00 H new ATOM 0 HH TYR A 41 8.348 -3.453 -9.628 1.00 0.00 H new ATOM 627 N ILE A 42 1.346 -2.226 -7.856 1.00 0.00 N ATOM 628 CA ILE A 42 1.476 -2.765 -6.512 1.00 0.00 C ATOM 629 C ILE A 42 0.616 -4.012 -6.381 1.00 0.00 C ATOM 630 O ILE A 42 1.039 -5.028 -5.826 1.00 0.00 O ATOM 631 CB ILE A 42 1.055 -1.732 -5.446 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.926 -0.479 -5.552 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.151 -2.330 -4.049 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.477 0.648 -4.648 1.00 0.00 C ATOM 0 H ILE A 42 0.632 -1.505 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 42 2.524 -3.014 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 42 0.017 -1.453 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.956 -0.741 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.921 -0.130 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.850 -1.585 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.494 -3.197 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.179 -2.637 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.140 1.503 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.458 0.937 -4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.509 0.317 -3.610 1.00 0.00 H new ATOM 646 N LYS A 43 -0.594 -3.926 -6.919 1.00 0.00 N ATOM 647 CA LYS A 43 -1.526 -5.038 -6.893 1.00 0.00 C ATOM 648 C LYS A 43 -1.056 -6.125 -7.850 1.00 0.00 C ATOM 649 O LYS A 43 -1.180 -7.315 -7.563 1.00 0.00 O ATOM 650 CB LYS A 43 -2.931 -4.547 -7.273 1.00 0.00 C ATOM 651 CG LYS A 43 -4.042 -5.575 -7.075 1.00 0.00 C ATOM 652 CD LYS A 43 -4.053 -6.647 -8.158 1.00 0.00 C ATOM 653 CE LYS A 43 -4.152 -6.043 -9.550 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.241 -7.092 -10.604 1.00 0.00 N ATOM 0 H LYS A 43 -0.952 -3.090 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.567 -5.457 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.164 -3.662 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.923 -4.238 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.922 -6.050 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.005 -5.065 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.145 -7.246 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.894 -7.321 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.029 -5.398 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.281 -5.414 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.307 -6.640 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.393 -7.692 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.086 -7.677 -10.442 1.00 0.00 H new ATOM 668 N LYS A 44 -0.496 -5.714 -8.987 1.00 0.00 N ATOM 669 CA LYS A 44 -0.004 -6.671 -9.970 1.00 0.00 C ATOM 670 C LYS A 44 1.316 -7.292 -9.526 1.00 0.00 C ATOM 671 O LYS A 44 1.512 -8.501 -9.645 1.00 0.00 O ATOM 672 CB LYS A 44 0.161 -6.005 -11.338 1.00 0.00 C ATOM 673 CG LYS A 44 -1.156 -5.625 -11.993 1.00 0.00 C ATOM 674 CD LYS A 44 -0.934 -4.891 -13.306 1.00 0.00 C ATOM 675 CE LYS A 44 -2.252 -4.507 -13.960 1.00 0.00 C ATOM 676 NZ LYS A 44 -2.044 -3.785 -15.247 1.00 0.00 N ATOM 0 H LYS A 44 -0.374 -4.735 -9.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.744 -7.467 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.773 -5.110 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.704 -6.681 -11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.747 -6.523 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.732 -4.995 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.341 -3.994 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.360 -5.522 -13.984 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.844 -5.405 -14.139 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.825 -3.878 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.966 -3.541 -15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.501 -2.915 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.519 -4.395 -15.906 1.00 0.00 H new ATOM 690 N GLU A 45 2.223 -6.462 -9.019 1.00 0.00 N ATOM 691 CA GLU A 45 3.524 -6.943 -8.570 1.00 0.00 C ATOM 692 C GLU A 45 3.376 -7.946 -7.426 1.00 0.00 C ATOM 693 O GLU A 45 4.129 -8.916 -7.343 1.00 0.00 O ATOM 694 CB GLU A 45 4.412 -5.775 -8.142 1.00 0.00 C ATOM 695 CG GLU A 45 5.802 -6.199 -7.702 1.00 0.00 C ATOM 696 CD GLU A 45 6.737 -5.021 -7.513 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.404 -4.121 -6.715 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.803 -4.998 -8.163 1.00 0.00 O ATOM 0 H GLU A 45 2.081 -5.458 -8.909 1.00 0.00 H new ATOM 0 HA GLU A 45 3.999 -7.453 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.501 -5.074 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.928 -5.242 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.730 -6.755 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.223 -6.877 -8.444 1.00 0.00 H new ATOM 705 N PHE A 46 2.402 -7.714 -6.550 1.00 0.00 N ATOM 706 CA PHE A 46 2.163 -8.611 -5.423 1.00 0.00 C ATOM 707 C PHE A 46 1.484 -9.906 -5.871 1.00 0.00 C ATOM 708 O PHE A 46 1.809 -10.986 -5.381 1.00 0.00 O ATOM 709 CB PHE A 46 1.299 -7.927 -4.358 1.00 0.00 C ATOM 710 CG PHE A 46 2.078 -7.134 -3.344 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.848 -6.047 -3.724 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.035 -7.483 -2.002 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.560 -5.322 -2.784 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.745 -6.763 -1.059 1.00 0.00 C ATOM 715 CZ PHE A 46 3.508 -5.681 -1.450 1.00 0.00 C ATOM 0 H PHE A 46 1.768 -6.916 -6.598 1.00 0.00 H new ATOM 0 HA PHE A 46 3.136 -8.857 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.590 -7.264 -4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.716 -8.686 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.893 -5.762 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.439 -8.328 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.156 -4.476 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.703 -7.047 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.063 -5.116 -0.715 1.00 0.00 H new ATOM 725 N ASP A 47 0.527 -9.788 -6.787 1.00 0.00 N ATOM 726 CA ASP A 47 -0.212 -10.950 -7.275 1.00 0.00 C ATOM 727 C ASP A 47 0.598 -11.798 -8.259 1.00 0.00 C ATOM 728 O ASP A 47 0.224 -12.934 -8.548 1.00 0.00 O ATOM 729 CB ASP A 47 -1.522 -10.506 -7.929 1.00 0.00 C ATOM 730 CG ASP A 47 -2.523 -9.982 -6.916 1.00 0.00 C ATOM 731 OD1 ASP A 47 -2.183 -9.033 -6.180 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.648 -10.521 -6.862 1.00 0.00 O ATOM 0 H ASP A 47 0.245 -8.902 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.423 -11.576 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.313 -9.730 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.960 -11.346 -8.468 1.00 0.00 H new ATOM 737 N LYS A 48 1.701 -11.259 -8.774 1.00 0.00 N ATOM 738 CA LYS A 48 2.526 -12.008 -9.722 1.00 0.00 C ATOM 739 C LYS A 48 3.491 -12.957 -9.013 1.00 0.00 C ATOM 740 O LYS A 48 4.310 -13.610 -9.660 1.00 0.00 O ATOM 741 CB LYS A 48 3.314 -11.066 -10.632 1.00 0.00 C ATOM 742 CG LYS A 48 4.208 -10.095 -9.884 1.00 0.00 C ATOM 743 CD LYS A 48 5.280 -9.503 -10.791 1.00 0.00 C ATOM 744 CE LYS A 48 4.683 -8.871 -12.040 1.00 0.00 C ATOM 745 NZ LYS A 48 3.738 -7.772 -11.712 1.00 0.00 N ATOM 0 H LYS A 48 2.041 -10.322 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 48 1.842 -12.603 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.926 -11.660 -11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.614 -10.500 -11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.602 -9.292 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.682 -10.608 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.847 -8.752 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.983 -10.285 -11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.485 -8.484 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.164 -9.634 -12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.316 -7.404 -12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.986 -8.134 -11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.249 -7.008 -11.226 1.00 0.00 H new ATOM 759 N LYS A 49 3.400 -13.036 -7.687 1.00 0.00 N ATOM 760 CA LYS A 49 4.279 -13.915 -6.921 1.00 0.00 C ATOM 761 C LYS A 49 3.618 -14.372 -5.623 1.00 0.00 C ATOM 762 O LYS A 49 3.681 -15.550 -5.269 1.00 0.00 O ATOM 763 CB LYS A 49 5.602 -13.209 -6.616 1.00 0.00 C ATOM 764 CG LYS A 49 6.380 -12.815 -7.861 1.00 0.00 C ATOM 765 CD LYS A 49 7.702 -12.152 -7.510 1.00 0.00 C ATOM 766 CE LYS A 49 8.610 -13.094 -6.736 1.00 0.00 C ATOM 767 NZ LYS A 49 8.912 -14.333 -7.506 1.00 0.00 N ATOM 0 H LYS A 49 2.733 -12.507 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 49 4.476 -14.799 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.400 -12.315 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.221 -13.864 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.567 -13.700 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.780 -12.134 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.203 -11.831 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.515 -11.257 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.541 -12.582 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.136 -13.360 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.696 -14.842 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.070 -14.942 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.181 -14.081 -8.478 1.00 0.00 H new ATOM 781 N TYR A 50 2.991 -13.439 -4.915 1.00 0.00 N ATOM 782 CA TYR A 50 2.327 -13.759 -3.655 1.00 0.00 C ATOM 783 C TYR A 50 0.968 -14.418 -3.893 1.00 0.00 C ATOM 784 O TYR A 50 0.297 -14.826 -2.946 1.00 0.00 O ATOM 785 CB TYR A 50 2.150 -12.495 -2.811 1.00 0.00 C ATOM 786 CG TYR A 50 3.448 -11.791 -2.458 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.683 -12.314 -2.835 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.435 -10.599 -1.746 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.861 -11.668 -2.510 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.609 -9.947 -1.418 1.00 0.00 C ATOM 791 CZ TYR A 50 5.818 -10.485 -1.803 1.00 0.00 C ATOM 792 OH TYR A 50 6.988 -9.840 -1.479 1.00 0.00 O ATOM 0 H TYR A 50 2.928 -12.459 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 50 2.959 -14.466 -3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.508 -11.799 -3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.631 -12.758 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.721 -13.239 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.490 -10.173 -1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.810 -12.088 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.579 -9.021 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 50 6.783 -9.021 -0.982 1.00 0.00 H new ATOM 802 N ASN A 51 0.566 -14.520 -5.159 1.00 0.00 N ATOM 803 CA ASN A 51 -0.712 -15.129 -5.509 1.00 0.00 C ATOM 804 C ASN A 51 -1.872 -14.326 -4.922 1.00 0.00 C ATOM 805 O ASN A 51 -1.785 -13.823 -3.802 1.00 0.00 O ATOM 806 CB ASN A 51 -0.768 -16.575 -5.008 1.00 0.00 C ATOM 807 CG ASN A 51 -2.070 -17.265 -5.370 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.151 -16.824 -4.977 1.00 0.00 O ATOM 809 ND2 ASN A 51 -1.972 -18.354 -6.124 1.00 0.00 N ATOM 0 H ASN A 51 1.108 -14.189 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.804 -15.128 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.066 -17.135 -5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.643 -16.586 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.813 -18.861 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.056 -18.684 -6.427 1.00 0.00 H new ATOM 816 N PRO A 52 -2.979 -14.191 -5.673 1.00 0.00 N ATOM 817 CA PRO A 52 -4.154 -13.441 -5.213 1.00 0.00 C ATOM 818 C PRO A 52 -4.640 -13.914 -3.843 1.00 0.00 C ATOM 819 O PRO A 52 -4.169 -14.932 -3.338 1.00 0.00 O ATOM 820 CB PRO A 52 -5.206 -13.731 -6.285 1.00 0.00 C ATOM 821 CG PRO A 52 -4.424 -14.070 -7.506 1.00 0.00 C ATOM 822 CD PRO A 52 -3.175 -14.753 -7.022 1.00 0.00 C ATOM 0 HA PRO A 52 -3.938 -12.380 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.855 -14.556 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.847 -12.866 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.995 -14.723 -8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.182 -13.173 -8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.295 -15.836 -6.993 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.325 -14.544 -7.672 1.00 0.00 H new ATOM 830 N THR A 53 -5.583 -13.181 -3.236 1.00 0.00 N ATOM 831 CA THR A 53 -6.154 -11.967 -3.824 1.00 0.00 C ATOM 832 C THR A 53 -5.924 -10.769 -2.909 1.00 0.00 C ATOM 833 O THR A 53 -6.491 -10.689 -1.821 1.00 0.00 O ATOM 834 CB THR A 53 -7.652 -12.153 -4.070 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.221 -10.977 -4.618 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.427 -12.498 -2.817 1.00 0.00 C ATOM 0 H THR A 53 -5.970 -13.416 -2.322 1.00 0.00 H new ATOM 0 HA THR A 53 -5.657 -11.780 -4.776 1.00 0.00 H new ATOM 0 HB THR A 53 -7.728 -12.989 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.179 -11.117 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.482 -12.616 -3.063 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.046 -13.429 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.312 -11.698 -2.086 1.00 0.00 H new ATOM 844 N TRP A 54 -5.079 -9.845 -3.355 1.00 0.00 N ATOM 845 CA TRP A 54 -4.769 -8.656 -2.571 1.00 0.00 C ATOM 846 C TRP A 54 -5.538 -7.443 -3.087 1.00 0.00 C ATOM 847 O TRP A 54 -6.128 -7.483 -4.166 1.00 0.00 O ATOM 848 CB TRP A 54 -3.268 -8.359 -2.627 1.00 0.00 C ATOM 849 CG TRP A 54 -2.400 -9.521 -2.252 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.353 -10.743 -2.860 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.447 -9.564 -1.185 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.428 -11.544 -2.234 1.00 0.00 N ATOM 853 CE2 TRP A 54 -0.860 -10.844 -1.202 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.034 -8.646 -0.215 1.00 0.00 C ATOM 855 CZ2 TRP A 54 0.118 -11.226 -0.288 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.066 -9.026 0.692 1.00 0.00 C ATOM 857 CH2 TRP A 54 0.503 -10.306 0.650 1.00 0.00 C ATOM 0 H TRP A 54 -4.598 -9.897 -4.253 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.067 -8.851 -1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.010 -8.037 -3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.048 -7.525 -1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.954 -11.037 -3.708 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.201 -12.504 -2.495 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.465 -7.657 -0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.557 -12.212 -0.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.259 -8.325 1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.261 -10.572 1.372 1.00 0.00 H new ATOM 868 N HIS A 55 -5.519 -6.362 -2.309 1.00 0.00 N ATOM 869 CA HIS A 55 -6.206 -5.133 -2.690 1.00 0.00 C ATOM 870 C HIS A 55 -5.517 -3.916 -2.078 1.00 0.00 C ATOM 871 O HIS A 55 -5.725 -3.598 -0.908 1.00 0.00 O ATOM 872 CB HIS A 55 -7.671 -5.169 -2.250 1.00 0.00 C ATOM 873 CG HIS A 55 -8.458 -6.297 -2.845 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.261 -7.619 -2.505 1.00 0.00 N ATOM 875 CD2 HIS A 55 -9.451 -6.293 -3.766 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.094 -8.379 -3.193 1.00 0.00 C ATOM 877 NE2 HIS A 55 -9.829 -7.598 -3.964 1.00 0.00 N ATOM 0 H HIS A 55 -5.035 -6.314 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.166 -5.054 -3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.712 -5.245 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.145 -4.226 -2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.868 -5.425 -4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.162 -9.455 -3.135 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.559 -7.913 -4.603 1.00 0.00 H new ATOM 886 N CYS A 56 -4.697 -3.239 -2.876 1.00 0.00 N ATOM 887 CA CYS A 56 -3.980 -2.056 -2.408 1.00 0.00 C ATOM 888 C CYS A 56 -4.791 -0.793 -2.669 1.00 0.00 C ATOM 889 O CYS A 56 -5.270 -0.571 -3.782 1.00 0.00 O ATOM 890 CB CYS A 56 -2.619 -1.947 -3.099 1.00 0.00 C ATOM 891 SG CYS A 56 -2.715 -1.746 -4.891 1.00 0.00 S ATOM 0 H CYS A 56 -4.512 -3.488 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.827 -2.159 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.077 -1.100 -2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.037 -2.841 -2.875 1.00 0.00 H new ATOM 0 HG CYS A 56 -3.886 -1.282 -5.214 1.00 0.00 H new ATOM 897 N ILE A 57 -4.942 0.033 -1.639 1.00 0.00 N ATOM 898 CA ILE A 57 -5.699 1.273 -1.769 1.00 0.00 C ATOM 899 C ILE A 57 -4.779 2.477 -1.721 1.00 0.00 C ATOM 900 O ILE A 57 -3.742 2.448 -1.061 1.00 0.00 O ATOM 901 CB ILE A 57 -6.746 1.430 -0.659 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.462 0.111 -0.412 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.742 2.518 -1.020 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.107 -0.477 -1.648 1.00 0.00 C ATOM 0 H ILE A 57 -4.553 -0.132 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.205 1.220 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.236 1.721 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.749 -0.608 -0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.228 0.261 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.478 2.617 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.217 3.464 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.247 2.255 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.597 -1.416 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.845 0.222 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.344 -0.661 -2.404 1.00 0.00 H new ATOM 916 N VAL A 58 -5.180 3.534 -2.415 1.00 0.00 N ATOM 917 CA VAL A 58 -4.403 4.765 -2.457 1.00 0.00 C ATOM 918 C VAL A 58 -5.299 5.983 -2.263 1.00 0.00 C ATOM 919 O VAL A 58 -5.819 6.546 -3.226 1.00 0.00 O ATOM 920 CB VAL A 58 -3.642 4.904 -3.791 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.786 6.162 -3.797 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.792 3.670 -4.050 1.00 0.00 C ATOM 0 H VAL A 58 -6.043 3.563 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.681 4.715 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.373 4.991 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.259 6.239 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.423 7.036 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.062 6.113 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.262 3.785 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.071 3.549 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.433 2.790 -4.099 1.00 0.00 H new ATOM 932 N GLY A 59 -5.474 6.385 -1.009 1.00 0.00 N ATOM 933 CA GLY A 59 -6.305 7.533 -0.705 1.00 0.00 C ATOM 934 C GLY A 59 -6.457 7.755 0.786 1.00 0.00 C ATOM 935 O GLY A 59 -5.863 8.674 1.349 1.00 0.00 O ATOM 0 H GLY A 59 -5.054 5.934 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.871 8.423 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.290 7.394 -1.152 1.00 0.00 H new ATOM 939 N ARG A 60 -7.256 6.908 1.431 1.00 0.00 N ATOM 940 CA ARG A 60 -7.482 7.016 2.867 1.00 0.00 C ATOM 941 C ARG A 60 -7.840 5.664 3.474 1.00 0.00 C ATOM 942 O ARG A 60 -7.002 5.007 4.093 1.00 0.00 O ATOM 943 CB ARG A 60 -8.589 8.035 3.154 1.00 0.00 C ATOM 944 CG ARG A 60 -8.253 9.448 2.704 1.00 0.00 C ATOM 945 CD ARG A 60 -9.391 10.412 2.997 1.00 0.00 C ATOM 946 NE ARG A 60 -9.702 10.482 4.423 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.875 10.979 5.341 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.706 11.498 4.983 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.225 10.973 6.620 1.00 0.00 N ATOM 0 H ARG A 60 -7.756 6.141 0.981 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.555 7.357 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.504 7.713 2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.794 8.043 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.349 9.787 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.040 9.449 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.125 11.405 2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.280 10.100 2.448 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.607 10.129 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.437 11.518 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.078 11.877 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.127 10.588 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.592 11.353 7.324 1.00 0.00 H new ATOM 963 N ASN A 61 -9.091 5.257 3.302 1.00 0.00 N ATOM 964 CA ASN A 61 -9.571 3.986 3.839 1.00 0.00 C ATOM 965 C ASN A 61 -10.861 3.559 3.146 1.00 0.00 C ATOM 966 O ASN A 61 -11.679 2.846 3.726 1.00 0.00 O ATOM 967 CB ASN A 61 -9.840 4.127 5.342 1.00 0.00 C ATOM 968 CG ASN A 61 -11.108 4.926 5.667 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.508 5.008 6.829 1.00 0.00 O ATOM 970 ND2 ASN A 61 -11.741 5.535 4.655 1.00 0.00 N ATOM 0 H ASN A 61 -9.796 5.790 2.793 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.804 3.231 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.924 3.133 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.984 4.612 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.580 6.086 4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.384 5.447 3.704 1.00 0.00 H new ATOM 977 N PHE A 62 -11.066 4.047 1.931 1.00 0.00 N ATOM 978 CA PHE A 62 -12.294 3.757 1.207 1.00 0.00 C ATOM 979 C PHE A 62 -12.417 2.284 0.798 1.00 0.00 C ATOM 980 O PHE A 62 -13.330 1.925 0.055 1.00 0.00 O ATOM 981 CB PHE A 62 -12.429 4.656 -0.032 1.00 0.00 C ATOM 982 CG PHE A 62 -11.279 4.564 -1.001 1.00 0.00 C ATOM 983 CD1 PHE A 62 -10.081 5.213 -0.748 1.00 0.00 C ATOM 984 CD2 PHE A 62 -11.400 3.825 -2.167 1.00 0.00 C ATOM 985 CE1 PHE A 62 -9.028 5.127 -1.638 1.00 0.00 C ATOM 986 CE2 PHE A 62 -10.348 3.736 -3.062 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.161 4.388 -2.796 1.00 0.00 C ATOM 0 H PHE A 62 -10.404 4.640 1.430 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.108 3.969 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.349 4.396 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.530 5.691 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -9.969 5.793 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.326 3.312 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.100 5.638 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -10.456 3.157 -3.967 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.338 4.320 -3.492 1.00 0.00 H new ATOM 997 N GLY A 63 -11.517 1.430 1.284 1.00 0.00 N ATOM 998 CA GLY A 63 -11.587 0.021 0.944 1.00 0.00 C ATOM 999 C GLY A 63 -12.842 -0.633 1.492 1.00 0.00 C ATOM 1000 O GLY A 63 -13.724 -1.029 0.733 1.00 0.00 O ATOM 0 H GLY A 63 -10.747 1.688 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.563 -0.092 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.709 -0.491 1.338 1.00 0.00 H new ATOM 1004 N SER A 64 -12.917 -0.726 2.820 1.00 0.00 N ATOM 1005 CA SER A 64 -14.071 -1.317 3.507 1.00 0.00 C ATOM 1006 C SER A 64 -14.039 -2.846 3.475 1.00 0.00 C ATOM 1007 O SER A 64 -15.073 -3.490 3.295 1.00 0.00 O ATOM 1008 CB SER A 64 -15.385 -0.811 2.902 1.00 0.00 C ATOM 1009 OG SER A 64 -15.442 0.606 2.915 1.00 0.00 O ATOM 0 H SER A 64 -12.185 -0.396 3.449 1.00 0.00 H new ATOM 0 HA SER A 64 -14.012 -1.003 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.480 -1.172 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.227 -1.217 3.463 1.00 0.00 H new ATOM 0 HG SER A 64 -16.289 0.903 2.522 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.857 -3.424 3.671 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.706 -4.880 3.685 1.00 0.00 C ATOM 1017 C TYR A 65 -11.258 -5.277 3.945 1.00 0.00 C ATOM 1018 O TYR A 65 -10.601 -5.866 3.085 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.190 -5.501 2.370 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.411 -5.059 1.150 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -12.465 -3.745 0.710 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -11.624 -5.958 0.438 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -11.760 -3.335 -0.405 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -10.915 -5.555 -0.677 1.00 0.00 C ATOM 1025 CZ TYR A 65 -10.986 -4.243 -1.096 1.00 0.00 C ATOM 1026 OH TYR A 65 -10.285 -3.839 -2.207 1.00 0.00 O ATOM 0 H TYR A 65 -11.990 -2.909 3.822 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.325 -5.263 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.131 -6.586 2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.241 -5.248 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.069 -3.030 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.566 -6.987 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.815 -2.308 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.307 -6.265 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.041 -2.895 -2.114 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.766 -4.958 5.138 1.00 0.00 N ATOM 1037 CA VAL A 66 -9.395 -5.284 5.509 1.00 0.00 C ATOM 1038 C VAL A 66 -9.336 -6.568 6.327 1.00 0.00 C ATOM 1039 O VAL A 66 -8.749 -7.563 5.901 1.00 0.00 O ATOM 1040 CB VAL A 66 -8.743 -4.142 6.313 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.286 -4.461 6.609 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.869 -2.823 5.565 1.00 0.00 C ATOM 0 H VAL A 66 -11.296 -4.475 5.863 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.842 -5.425 4.580 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.268 -4.045 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.843 -3.643 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.226 -5.381 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.744 -4.588 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.403 -2.028 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.371 -2.904 4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.923 -2.591 5.412 1.00 0.00 H new ATOM 1052 N THR A 67 -9.946 -6.534 7.503 1.00 0.00 N ATOM 1053 CA THR A 67 -9.967 -7.692 8.389 1.00 0.00 C ATOM 1054 C THR A 67 -11.189 -8.561 8.119 1.00 0.00 C ATOM 1055 O THR A 67 -11.166 -9.772 8.343 1.00 0.00 O ATOM 1056 CB THR A 67 -9.963 -7.239 9.850 1.00 0.00 C ATOM 1057 OG1 THR A 67 -8.816 -6.455 10.128 1.00 0.00 O ATOM 1058 CG2 THR A 67 -9.981 -8.389 10.836 1.00 0.00 C ATOM 0 H THR A 67 -10.434 -5.716 7.867 1.00 0.00 H new ATOM 0 HA THR A 67 -9.073 -8.284 8.195 1.00 0.00 H new ATOM 0 HB THR A 67 -10.879 -6.661 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.832 -6.173 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.977 -7.997 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.879 -8.987 10.681 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.100 -9.012 10.684 1.00 0.00 H new ATOM 1066 N HIS A 68 -12.255 -7.934 7.635 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.491 -8.645 7.331 1.00 0.00 C ATOM 1068 C HIS A 68 -13.232 -9.845 6.419 1.00 0.00 C ATOM 1069 O HIS A 68 -14.027 -10.782 6.376 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.498 -7.694 6.673 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.811 -8.334 6.347 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.944 -9.368 5.441 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -17.059 -8.084 6.810 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -17.214 -9.722 5.364 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -17.911 -8.959 6.185 1.00 0.00 N ATOM 0 H HIS A 68 -12.288 -6.933 7.444 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.905 -9.016 8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.672 -6.848 7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.062 -7.295 5.757 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -15.181 -9.792 4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.333 -7.334 7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -17.615 -10.504 4.736 1.00 0.00 H new ATOM 1084 N GLU A 69 -12.116 -9.814 5.691 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.775 -10.907 4.788 1.00 0.00 C ATOM 1086 C GLU A 69 -10.931 -11.967 5.496 1.00 0.00 C ATOM 1087 O GLU A 69 -11.337 -13.126 5.592 1.00 0.00 O ATOM 1088 CB GLU A 69 -11.066 -10.372 3.535 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.779 -9.613 3.813 1.00 0.00 C ATOM 1090 CD GLU A 69 -9.268 -8.860 2.598 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -9.960 -8.868 1.557 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -8.180 -8.253 2.690 1.00 0.00 O ATOM 0 H GLU A 69 -11.440 -9.051 5.710 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.701 -11.387 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.843 -11.210 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.751 -9.716 2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.946 -8.909 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.014 -10.313 4.149 1.00 0.00 H new ATOM 1099 N THR A 70 -9.773 -11.570 6.004 1.00 0.00 N ATOM 1100 CA THR A 70 -8.896 -12.489 6.718 1.00 0.00 C ATOM 1101 C THR A 70 -8.131 -11.753 7.827 1.00 0.00 C ATOM 1102 O THR A 70 -8.737 -11.292 8.795 1.00 0.00 O ATOM 1103 CB THR A 70 -7.953 -13.199 5.735 1.00 0.00 C ATOM 1104 OG1 THR A 70 -7.020 -14.008 6.428 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.174 -12.259 4.838 1.00 0.00 C ATOM 0 H THR A 70 -9.418 -10.616 5.935 1.00 0.00 H new ATOM 0 HA THR A 70 -9.501 -13.257 7.201 1.00 0.00 H new ATOM 0 HB THR A 70 -8.609 -13.799 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.415 -14.434 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.532 -12.838 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.868 -11.664 4.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.561 -11.597 5.450 1.00 0.00 H new ATOM 1113 N LYS A 71 -6.818 -11.631 7.686 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.001 -10.939 8.678 1.00 0.00 C ATOM 1115 C LYS A 71 -4.612 -10.660 8.116 1.00 0.00 C ATOM 1116 O LYS A 71 -3.619 -10.665 8.844 1.00 0.00 O ATOM 1117 CB LYS A 71 -5.900 -11.753 9.973 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.061 -13.018 9.857 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.612 -13.967 8.808 1.00 0.00 C ATOM 1120 CE LYS A 71 -4.875 -15.296 8.823 1.00 0.00 C ATOM 1121 NZ LYS A 71 -5.437 -16.260 7.836 1.00 0.00 N ATOM 0 H LYS A 71 -6.294 -12.002 6.894 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.483 -9.990 8.913 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.476 -11.121 10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.905 -12.026 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.035 -12.751 9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.029 -13.523 10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.674 -14.136 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.525 -13.512 7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.820 -15.128 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.928 -15.728 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.938 -17.020 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.101 -15.765 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.665 -16.669 7.272 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.560 -10.414 6.813 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.304 -10.129 6.128 1.00 0.00 C ATOM 1137 C HIS A 72 -3.363 -8.752 5.475 1.00 0.00 C ATOM 1138 O HIS A 72 -3.547 -8.634 4.264 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.022 -11.202 5.076 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.892 -12.578 5.649 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -1.940 -12.917 6.588 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.601 -13.708 5.411 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.069 -14.192 6.904 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.070 -14.695 6.205 1.00 0.00 N ATOM 0 H HIS A 72 -5.379 -10.406 6.205 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.495 -10.135 6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.825 -11.198 4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.103 -10.949 4.547 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -1.244 -12.281 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.429 -13.813 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.460 -14.732 7.614 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.227 -7.715 6.294 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.287 -6.341 5.808 1.00 0.00 C ATOM 1155 C PHE A 73 -2.064 -5.534 6.244 1.00 0.00 C ATOM 1156 O PHE A 73 -1.487 -5.783 7.301 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.527 -5.653 6.368 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.387 -5.356 7.831 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.621 -6.335 8.782 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.969 -4.107 8.246 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -4.443 -6.067 10.125 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.795 -3.830 9.585 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.030 -4.813 10.528 1.00 0.00 C ATOM 0 H PHE A 73 -3.074 -7.800 7.299 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.318 -6.382 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.704 -4.725 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.398 -6.288 6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.946 -7.317 8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.776 -3.338 7.513 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.627 -6.838 10.859 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.476 -2.847 9.897 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.891 -4.600 11.578 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.697 -4.544 5.438 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.574 -3.673 5.751 1.00 0.00 C ATOM 1175 C ILE A 74 -0.949 -2.206 5.530 1.00 0.00 C ATOM 1176 O ILE A 74 -1.447 -1.837 4.467 1.00 0.00 O ATOM 1177 CB ILE A 74 0.660 -4.012 4.896 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.811 -3.068 5.240 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.321 -3.936 3.415 1.00 0.00 C ATOM 1180 CD1 ILE A 74 3.053 -3.302 4.416 1.00 0.00 C ATOM 0 H ILE A 74 -2.165 -4.325 4.558 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.327 -3.833 6.801 1.00 0.00 H new ATOM 0 HB ILE A 74 0.972 -5.033 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.480 -2.039 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.059 -3.181 6.295 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.206 -4.179 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.473 -4.647 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.013 -2.928 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.827 -2.595 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.409 -4.320 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.821 -3.160 3.360 1.00 0.00 H new ATOM 1192 N TYR A 75 -0.707 -1.371 6.540 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.019 0.055 6.446 1.00 0.00 C ATOM 1194 C TYR A 75 0.251 0.899 6.443 1.00 0.00 C ATOM 1195 O TYR A 75 1.183 0.634 7.203 1.00 0.00 O ATOM 1196 CB TYR A 75 -1.906 0.497 7.614 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.294 -0.101 7.606 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.101 -0.005 6.483 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.800 -0.744 8.727 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.377 -0.536 6.474 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.075 -1.279 8.727 1.00 0.00 C ATOM 1202 CZ TYR A 75 -5.859 -1.173 7.599 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.131 -1.700 7.595 1.00 0.00 O ATOM 0 H TYR A 75 -0.297 -1.656 7.430 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.551 0.206 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.414 0.230 8.549 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.992 1.584 7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.727 0.493 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.188 -0.828 9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.993 -0.453 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.454 -1.777 9.607 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.782 -0.984 7.751 1.00 0.00 H new ATOM 1213 N PHE A 76 0.278 1.929 5.599 1.00 0.00 N ATOM 1214 CA PHE A 76 1.434 2.816 5.529 1.00 0.00 C ATOM 1215 C PHE A 76 1.077 4.123 4.829 1.00 0.00 C ATOM 1216 O PHE A 76 0.489 4.128 3.748 1.00 0.00 O ATOM 1217 CB PHE A 76 2.611 2.121 4.836 1.00 0.00 C ATOM 1218 CG PHE A 76 2.349 1.717 3.414 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.312 2.663 2.402 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.142 0.385 3.089 1.00 0.00 C ATOM 1221 CE1 PHE A 76 2.078 2.288 1.093 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.906 0.006 1.783 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.874 0.957 0.783 1.00 0.00 C ATOM 0 H PHE A 76 -0.481 2.167 4.960 1.00 0.00 H new ATOM 0 HA PHE A 76 1.739 3.057 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.473 2.787 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.880 1.233 5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.468 3.705 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.166 -0.364 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.055 3.034 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.746 -1.035 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.690 0.661 -0.239 1.00 0.00 H new ATOM 1233 N TYR A 77 1.425 5.234 5.473 1.00 0.00 N ATOM 1234 CA TYR A 77 1.137 6.560 4.940 1.00 0.00 C ATOM 1235 C TYR A 77 2.311 7.076 4.111 1.00 0.00 C ATOM 1236 O TYR A 77 3.464 6.728 4.372 1.00 0.00 O ATOM 1237 CB TYR A 77 0.840 7.522 6.093 1.00 0.00 C ATOM 1238 CG TYR A 77 0.280 8.858 5.658 1.00 0.00 C ATOM 1239 CD1 TYR A 77 -0.920 8.935 4.966 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.945 10.040 5.957 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -1.443 10.155 4.580 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.429 11.264 5.573 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.764 11.316 4.886 1.00 0.00 C ATOM 1244 OH TYR A 77 -1.284 12.532 4.506 1.00 0.00 O ATOM 0 H TYR A 77 1.910 5.240 6.370 1.00 0.00 H new ATOM 0 HA TYR A 77 0.265 6.496 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.132 7.048 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.758 7.691 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.454 8.028 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.879 10.003 6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.378 10.199 4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.959 12.175 5.810 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.685 13.250 4.799 1.00 0.00 H new ATOM 1254 N LEU A 78 2.014 7.901 3.114 1.00 0.00 N ATOM 1255 CA LEU A 78 3.052 8.457 2.250 1.00 0.00 C ATOM 1256 C LEU A 78 2.660 9.841 1.741 1.00 0.00 C ATOM 1257 O LEU A 78 1.557 10.039 1.232 1.00 0.00 O ATOM 1258 CB LEU A 78 3.310 7.522 1.066 1.00 0.00 C ATOM 1259 CG LEU A 78 3.784 6.115 1.434 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.910 5.253 0.188 1.00 0.00 C ATOM 1261 CD2 LEU A 78 5.112 6.174 2.175 1.00 0.00 C ATOM 0 H LEU A 78 1.067 8.200 2.883 1.00 0.00 H new ATOM 0 HA LEU A 78 3.964 8.554 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.392 7.438 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.057 7.981 0.418 1.00 0.00 H new ATOM 0 HG LEU A 78 3.042 5.665 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.248 4.255 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.940 5.182 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.632 5.703 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.433 5.163 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.863 6.644 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.993 6.757 3.089 1.00 0.00 H new ATOM 1273 N GLY A 79 3.578 10.793 1.878 1.00 0.00 N ATOM 1274 CA GLY A 79 3.318 12.149 1.425 1.00 0.00 C ATOM 1275 C GLY A 79 2.032 12.724 1.989 1.00 0.00 C ATOM 1276 O GLY A 79 2.002 13.202 3.121 1.00 0.00 O ATOM 0 H GLY A 79 4.498 10.650 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.153 12.789 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.268 12.160 0.336 1.00 0.00 H new ATOM 1280 N GLN A 80 0.968 12.673 1.195 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.328 13.191 1.619 1.00 0.00 C ATOM 1282 C GLN A 80 -1.448 12.227 1.241 1.00 0.00 C ATOM 1283 O GLN A 80 -2.570 12.645 0.957 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.589 14.565 0.998 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.628 14.562 -0.522 1.00 0.00 C ATOM 1286 CD GLN A 80 0.713 14.226 -1.144 1.00 0.00 C ATOM 1287 OE1 GLN A 80 1.704 14.925 -0.926 1.00 0.00 O ATOM 1288 NE2 GLN A 80 0.751 13.152 -1.925 1.00 0.00 N ATOM 0 H GLN A 80 0.977 12.278 0.254 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.309 13.294 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.538 14.948 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.187 15.255 1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.371 13.840 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.952 15.541 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.094 12.602 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.626 12.877 -2.372 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.135 10.937 1.239 1.00 0.00 N ATOM 1298 CA VAL A 81 -2.112 9.911 0.897 1.00 0.00 C ATOM 1299 C VAL A 81 -1.834 8.617 1.657 1.00 0.00 C ATOM 1300 O VAL A 81 -0.685 8.194 1.782 1.00 0.00 O ATOM 1301 CB VAL A 81 -2.106 9.621 -0.617 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -3.155 8.578 -0.972 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -2.327 10.902 -1.405 1.00 0.00 C ATOM 0 H VAL A 81 -0.210 10.576 1.471 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.093 10.291 1.183 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.129 9.219 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.132 8.390 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.944 7.652 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.142 8.944 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.320 10.679 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.289 11.336 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.531 11.611 -1.177 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.893 7.994 2.160 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.762 6.750 2.906 1.00 0.00 C ATOM 1315 C ALA A 82 -3.033 5.545 2.012 1.00 0.00 C ATOM 1316 O ALA A 82 -4.006 5.525 1.258 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.708 6.748 4.098 1.00 0.00 C ATOM 0 H ALA A 82 -3.851 8.330 2.065 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.737 6.678 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.600 5.812 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.467 7.584 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.735 6.846 3.747 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.169 4.540 2.103 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.319 3.329 1.305 1.00 0.00 C ATOM 1325 C ILE A 83 -2.522 2.118 2.207 1.00 0.00 C ATOM 1326 O ILE A 83 -1.859 1.984 3.240 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.091 3.102 0.396 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.910 4.292 -0.547 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.228 1.808 -0.398 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.300 4.172 -1.448 1.00 0.00 C ATOM 0 H ILE A 83 -1.358 4.540 2.721 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.197 3.457 0.672 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.208 3.014 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.803 4.395 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.823 5.204 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.350 1.674 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.313 0.966 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.120 1.857 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.365 5.051 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.201 4.099 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.207 3.279 -2.066 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.440 1.239 1.818 1.00 0.00 N ATOM 1343 CA LEU A 84 -3.721 0.045 2.606 1.00 0.00 C ATOM 1344 C LEU A 84 -3.795 -1.196 1.726 1.00 0.00 C ATOM 1345 O LEU A 84 -4.790 -1.426 1.037 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.022 0.210 3.401 1.00 0.00 C ATOM 1347 CG LEU A 84 -6.187 0.840 2.640 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -7.503 0.532 3.339 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.990 2.346 2.532 1.00 0.00 C ATOM 0 H LEU A 84 -3.998 1.330 0.969 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.897 -0.086 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.334 -0.771 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.814 0.820 4.280 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.218 0.416 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.324 0.987 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.648 -0.547 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.480 0.935 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.826 2.784 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.940 2.779 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.062 2.554 2.000 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.735 -1.997 1.760 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.672 -3.222 0.977 1.00 0.00 C ATOM 1363 C LEU A 85 -3.081 -4.420 1.823 1.00 0.00 C ATOM 1364 O LEU A 85 -2.350 -4.842 2.721 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.265 -3.428 0.411 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.052 -4.745 -0.337 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -2.058 -4.885 -1.470 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.372 -4.831 -0.869 1.00 0.00 C ATOM 0 H LEU A 85 -1.905 -1.817 2.325 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.370 -3.130 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.038 -2.604 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.549 -3.374 1.231 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.208 -5.567 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.891 -5.828 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.069 -4.870 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.936 -4.058 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.506 -5.774 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.556 -4.002 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.075 -4.778 -0.038 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.257 -4.959 1.536 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.778 -6.104 2.270 1.00 0.00 C ATOM 1382 C PHE A 86 -5.308 -7.170 1.322 1.00 0.00 C ATOM 1383 O PHE A 86 -5.901 -6.861 0.289 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.883 -5.662 3.230 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.834 -4.662 2.636 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -6.430 -3.356 2.410 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -8.127 -5.025 2.301 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -7.297 -2.431 1.863 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -9.001 -4.104 1.752 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.585 -2.806 1.535 1.00 0.00 C ATOM 0 H PHE A 86 -4.872 -4.620 0.796 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.958 -6.535 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.445 -6.539 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.427 -5.232 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -5.424 -3.058 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.457 -6.039 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.969 -1.416 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.007 -4.400 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.266 -2.084 1.109 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.093 -8.428 1.686 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.550 -9.545 0.873 1.00 0.00 C ATOM 1402 C LYS A 87 -6.453 -10.462 1.682 1.00 0.00 C ATOM 1403 O LYS A 87 -6.316 -10.566 2.900 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.353 -10.323 0.320 1.00 0.00 C ATOM 1405 CG LYS A 87 -3.481 -10.974 1.388 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.011 -12.339 1.812 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.982 -13.335 0.663 1.00 0.00 C ATOM 1408 NZ LYS A 87 -4.434 -14.688 1.091 1.00 0.00 N ATOM 0 H LYS A 87 -4.605 -8.699 2.540 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.126 -9.151 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.718 -11.096 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.737 -9.647 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.465 -11.083 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.428 -10.321 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.413 -12.721 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.032 -12.235 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.621 -12.977 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.970 -13.400 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.288 -15.364 0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.886 -14.991 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.444 -14.655 1.336 1.00 0.00 H new ATOM 1422 N SER A 88 -7.375 -11.123 0.999 1.00 0.00 N ATOM 1423 CA SER A 88 -8.302 -12.036 1.661 1.00 0.00 C ATOM 1424 C SER A 88 -7.773 -13.465 1.631 1.00 0.00 C ATOM 1425 O SER A 88 -6.849 -13.781 0.882 1.00 0.00 O ATOM 1426 CB SER A 88 -9.674 -11.981 0.998 1.00 0.00 C ATOM 1427 OG SER A 88 -9.603 -12.364 -0.364 1.00 0.00 O ATOM 0 H SER A 88 -7.503 -11.047 -0.010 1.00 0.00 H new ATOM 0 HA SER A 88 -8.396 -11.720 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.363 -12.639 1.528 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.077 -10.971 1.073 1.00 0.00 H new ATOM 0 HG SER A 88 -10.497 -12.321 -0.763 1.00 0.00 H new ATOM 1433 N GLY A 89 -8.366 -14.328 2.451 1.00 0.00 N ATOM 1434 CA GLY A 89 -7.942 -15.714 2.502 1.00 0.00 C ATOM 1435 C GLY A 89 -6.732 -15.919 3.393 1.00 0.00 C ATOM 1436 O GLY A 89 -5.933 -14.970 3.537 1.00 0.00 O ATOM 1437 OXT GLY A 89 -6.584 -17.028 3.947 1.00 0.00 O ATOM 0 H GLY A 89 -9.133 -14.091 3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.765 -16.329 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.709 -16.057 1.494 1.00 0.00 H new