USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 75 MET CE :methyl -173:sc= -4.15! (180deg=-3.24) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -0.885 F(o=-8.9,f=-5) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -3.01! C(o=-1.9!,f=-19!) USER MOD Set 2.2: A 60 SER OG : rot -81:sc= 0.771 USER MOD Set 2.3: A 90 THR OG1 : rot 111:sc= -2.08! USER MOD Set 2.4: A 92 SER OG : rot -152:sc= 0.95! USER MOD Set 2.5: A 105 THR OG1 : rot 158:sc= 1.51 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -138:sc= -3.01! USER MOD Single : A 17 ASN : amide:sc= -4.49 K(o=-4.5,f=-17!) USER MOD Single : A 23 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.113 F(o=-0.62,f=0.11) USER MOD Single : A 29 CYS SG : rot 72:sc= -3.01 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.904 USER MOD Single : A 35 TYR OH : rot 112:sc= -0.0466 USER MOD Single : A 36 GLN : amide:sc=-0.000145 K(o=-0.00014,f=-0.88) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 43 LYS NZ :NH3+ -105:sc= -0.208 (180deg=-1.43) USER MOD Single : A 44 ASN : amide:sc= -3.83! C(o=-3.8!,f=-7.1!) USER MOD Single : A 49 CYS SG : rot -55:sc= -2.62! USER MOD Single : A 50 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6!) USER MOD Single : A 54 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4!) USER MOD Single : A 55 GLN : amide:sc= 0.0674 X(o=0.067,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0786 F(o=-1.3,f=-0.079) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.115 F(o=-1.2,f=-0.11) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 53:sc= -4.05! USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0272 (180deg=-0.227) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0698 F(o=-2.6!,f=-0.07) USER MOD Single : A 88 MET CE :methyl 143:sc= -8.77! (180deg=-11.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.6 F(o=-4!,f=-1.6) USER MOD Single : A 94 THR OG1 : rot 15:sc= 0.153 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 CYS SG : rot 37:sc= 1.13 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -13.895 -7.122 6.163 1.00 0.00 N ATOM 91 CA GLN A 8 -13.536 -5.708 6.156 1.00 0.00 C ATOM 92 C GLN A 8 -12.023 -5.529 6.272 1.00 0.00 C ATOM 93 O GLN A 8 -11.329 -6.389 6.815 1.00 0.00 O ATOM 94 CB GLN A 8 -14.238 -4.975 7.294 1.00 0.00 C ATOM 95 CG GLN A 8 -15.753 -5.095 7.252 1.00 0.00 C ATOM 96 CD GLN A 8 -16.420 -4.520 8.486 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.631 -5.221 9.475 1.00 0.00 O ATOM 98 NE2 GLN A 8 -16.756 -3.236 8.433 1.00 0.00 N ATOM 0 HA GLN A 8 -13.862 -5.282 5.207 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.877 -5.367 8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.964 -3.920 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.130 -4.581 6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.028 -6.145 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.562 -2.692 7.592 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.208 -2.794 9.233 1.00 0.00 H new ATOM 107 N PRO A 9 -11.492 -4.402 5.761 1.00 0.00 N ATOM 108 CA PRO A 9 -10.061 -4.111 5.792 1.00 0.00 C ATOM 109 C PRO A 9 -9.603 -3.383 7.050 1.00 0.00 C ATOM 110 O PRO A 9 -10.294 -3.358 8.068 1.00 0.00 O ATOM 111 CB PRO A 9 -9.901 -3.191 4.597 1.00 0.00 C ATOM 112 CG PRO A 9 -11.152 -2.390 4.610 1.00 0.00 C ATOM 113 CD PRO A 9 -12.239 -3.323 5.089 1.00 0.00 C ATOM 0 HA PRO A 9 -9.468 -5.026 5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.018 -2.559 4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.793 -3.753 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.057 -1.529 5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.379 -2.004 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.925 -2.823 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.836 -3.703 4.260 1.00 0.00 H new ATOM 121 N THR A 10 -8.422 -2.783 6.935 1.00 0.00 N ATOM 122 CA THR A 10 -7.783 -2.030 8.008 1.00 0.00 C ATOM 123 C THR A 10 -6.363 -1.690 7.576 1.00 0.00 C ATOM 124 O THR A 10 -5.889 -0.567 7.741 1.00 0.00 O ATOM 125 CB THR A 10 -7.739 -2.828 9.327 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.913 -2.156 10.285 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.213 -4.233 9.092 1.00 0.00 C ATOM 0 H THR A 10 -7.872 -2.807 6.076 1.00 0.00 H new ATOM 0 HA THR A 10 -8.366 -1.127 8.191 1.00 0.00 H new ATOM 0 HB THR A 10 -8.755 -2.898 9.715 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.894 -2.671 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.191 -4.776 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.865 -4.753 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.205 -4.180 8.681 1.00 0.00 H new ATOM 135 N GLU A 11 -5.704 -2.698 7.020 1.00 0.00 N ATOM 136 CA GLU A 11 -4.347 -2.586 6.506 1.00 0.00 C ATOM 137 C GLU A 11 -4.024 -3.830 5.707 1.00 0.00 C ATOM 138 O GLU A 11 -4.349 -4.942 6.123 1.00 0.00 O ATOM 139 CB GLU A 11 -3.331 -2.413 7.627 1.00 0.00 C ATOM 140 CG GLU A 11 -3.356 -3.536 8.644 1.00 0.00 C ATOM 141 CD GLU A 11 -2.258 -3.410 9.682 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.400 -2.570 10.596 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.257 -4.149 9.580 1.00 0.00 O ATOM 0 H GLU A 11 -6.104 -3.630 6.912 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.289 -1.701 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.333 -2.347 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.521 -1.468 8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.324 -3.546 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.254 -4.491 8.128 1.00 0.00 H new ATOM 150 N PHE A 12 -3.394 -3.651 4.564 1.00 0.00 N ATOM 151 CA PHE A 12 -3.045 -4.790 3.735 1.00 0.00 C ATOM 152 C PHE A 12 -1.555 -4.804 3.466 1.00 0.00 C ATOM 153 O PHE A 12 -0.970 -3.807 3.042 1.00 0.00 O ATOM 154 CB PHE A 12 -3.866 -4.817 2.436 1.00 0.00 C ATOM 155 CG PHE A 12 -3.437 -3.843 1.374 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.450 -4.185 0.464 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.047 -2.603 1.261 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.078 -3.309 -0.536 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.674 -1.720 0.266 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.687 -2.077 -0.636 1.00 0.00 C ATOM 0 H PHE A 12 -3.116 -2.743 4.191 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.297 -5.701 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.821 -5.823 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.909 -4.621 2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.966 -5.148 0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.823 -2.324 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.309 -3.590 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.151 -0.754 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.394 -1.391 -1.417 1.00 0.00 H new ATOM 170 N ILE A 13 -0.947 -5.946 3.733 1.00 0.00 N ATOM 171 CA ILE A 13 0.481 -6.108 3.558 1.00 0.00 C ATOM 172 C ILE A 13 0.849 -6.366 2.110 1.00 0.00 C ATOM 173 O ILE A 13 0.610 -7.449 1.582 1.00 0.00 O ATOM 174 CB ILE A 13 1.011 -7.271 4.408 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.522 -7.148 5.850 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.527 -7.301 4.350 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.417 -8.478 6.562 1.00 0.00 C ATOM 0 H ILE A 13 -1.426 -6.779 4.074 1.00 0.00 H new ATOM 0 HA ILE A 13 0.938 -5.172 3.880 1.00 0.00 H new ATOM 0 HB ILE A 13 0.629 -8.209 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.202 -6.501 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.454 -6.663 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.898 -8.128 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.849 -7.434 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.925 -6.362 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.064 -8.318 7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.286 -9.120 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.397 -8.955 6.588 1.00 0.00 H new ATOM 189 N SER A 14 1.431 -5.368 1.469 1.00 0.00 N ATOM 190 CA SER A 14 1.859 -5.511 0.092 1.00 0.00 C ATOM 191 C SER A 14 3.354 -5.294 0.001 1.00 0.00 C ATOM 192 O SER A 14 3.877 -4.272 0.446 1.00 0.00 O ATOM 193 CB SER A 14 1.131 -4.512 -0.806 1.00 0.00 C ATOM 194 OG SER A 14 0.942 -5.039 -2.105 1.00 0.00 O ATOM 0 H SER A 14 1.617 -4.453 1.880 1.00 0.00 H new ATOM 0 HA SER A 14 1.616 -6.518 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.165 -4.261 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.704 -3.587 -0.865 1.00 0.00 H new ATOM 0 HG SER A 14 1.120 -4.342 -2.770 1.00 0.00 H new ATOM 200 N ARG A 15 4.032 -6.262 -0.581 1.00 0.00 N ATOM 201 CA ARG A 15 5.460 -6.184 -0.760 1.00 0.00 C ATOM 202 C ARG A 15 5.737 -5.626 -2.135 1.00 0.00 C ATOM 203 O ARG A 15 4.863 -5.659 -2.998 1.00 0.00 O ATOM 204 CB ARG A 15 6.100 -7.557 -0.586 1.00 0.00 C ATOM 205 CG ARG A 15 6.252 -7.966 0.868 1.00 0.00 C ATOM 206 CD ARG A 15 6.847 -9.356 1.004 1.00 0.00 C ATOM 207 NE ARG A 15 5.908 -10.397 0.595 1.00 0.00 N ATOM 208 CZ ARG A 15 5.506 -11.381 1.394 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.956 -11.456 2.640 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.654 -12.293 0.947 1.00 0.00 N ATOM 0 H ARG A 15 3.609 -7.118 -0.940 1.00 0.00 H new ATOM 0 HA ARG A 15 5.895 -5.528 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.495 -8.301 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.081 -7.556 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.888 -7.246 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.278 -7.938 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.750 -9.424 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.145 -9.523 2.039 1.00 0.00 H new ATOM 0 HE ARG A 15 5.540 -10.368 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.613 -10.757 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.645 -12.212 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.306 -12.240 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.346 -13.047 1.561 1.00 0.00 H new ATOM 224 N HIS A 16 6.929 -5.102 -2.341 1.00 0.00 N ATOM 225 CA HIS A 16 7.266 -4.522 -3.627 1.00 0.00 C ATOM 226 C HIS A 16 8.745 -4.180 -3.705 1.00 0.00 C ATOM 227 O HIS A 16 9.478 -4.330 -2.732 1.00 0.00 O ATOM 228 CB HIS A 16 6.447 -3.251 -3.824 1.00 0.00 C ATOM 229 CG HIS A 16 6.669 -2.253 -2.737 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.907 -1.716 -2.469 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.821 -1.713 -1.828 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.817 -0.892 -1.449 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.562 -0.870 -1.041 1.00 0.00 N ATOM 0 H HIS A 16 7.673 -5.065 -1.644 1.00 0.00 H new ATOM 0 HA HIS A 16 7.041 -5.250 -4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.705 -2.802 -4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.389 -3.508 -3.866 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.763 -1.925 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.763 -1.910 -1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.631 -0.329 -1.018 1.00 0.00 H new ATOM 242 N ASN A 17 9.177 -3.720 -4.870 1.00 0.00 N ATOM 243 CA ASN A 17 10.562 -3.319 -5.051 1.00 0.00 C ATOM 244 C ASN A 17 10.704 -1.855 -4.660 1.00 0.00 C ATOM 245 O ASN A 17 9.713 -1.208 -4.331 1.00 0.00 O ATOM 246 CB ASN A 17 11.013 -3.531 -6.498 1.00 0.00 C ATOM 247 CG ASN A 17 10.094 -2.864 -7.501 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.368 -1.928 -7.171 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.132 -3.337 -8.739 1.00 0.00 N ATOM 0 H ASN A 17 8.592 -3.616 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 17 11.198 -3.935 -4.416 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.023 -3.140 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.058 -4.600 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.544 -2.922 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.750 -4.116 -8.969 1.00 0.00 H new ATOM 256 N ILE A 18 11.917 -1.327 -4.692 1.00 0.00 N ATOM 257 CA ILE A 18 12.125 0.067 -4.323 1.00 0.00 C ATOM 258 C ILE A 18 11.182 0.986 -5.098 1.00 0.00 C ATOM 259 O ILE A 18 10.671 1.968 -4.558 1.00 0.00 O ATOM 260 CB ILE A 18 13.569 0.518 -4.574 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.758 1.953 -4.078 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.901 0.400 -6.053 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.511 2.121 -2.597 1.00 0.00 C ATOM 0 H ILE A 18 12.761 -1.831 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 18 11.915 0.138 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 18 14.252 -0.127 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.773 2.276 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.083 2.610 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.928 0.722 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.789 -0.637 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.224 1.030 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.664 3.164 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.487 1.829 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.204 1.491 -2.039 1.00 0.00 H new ATOM 275 N GLU A 19 10.957 0.655 -6.367 1.00 0.00 N ATOM 276 CA GLU A 19 10.069 1.444 -7.223 1.00 0.00 C ATOM 277 C GLU A 19 8.683 1.496 -6.618 1.00 0.00 C ATOM 278 O GLU A 19 7.968 2.492 -6.730 1.00 0.00 O ATOM 279 CB GLU A 19 9.944 0.815 -8.613 1.00 0.00 C ATOM 280 CG GLU A 19 11.144 1.009 -9.514 1.00 0.00 C ATOM 281 CD GLU A 19 11.552 2.463 -9.647 1.00 0.00 C ATOM 282 OE1 GLU A 19 11.010 3.152 -10.537 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.412 2.913 -8.861 1.00 0.00 O ATOM 0 H GLU A 19 11.376 -0.153 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 19 10.496 2.443 -7.306 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.765 -0.254 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.067 1.233 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.984 0.436 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.919 0.608 -10.502 1.00 0.00 H new ATOM 290 N GLY A 20 8.324 0.405 -5.969 1.00 0.00 N ATOM 291 CA GLY A 20 7.019 0.291 -5.369 1.00 0.00 C ATOM 292 C GLY A 20 6.207 -0.801 -6.031 1.00 0.00 C ATOM 293 O GLY A 20 5.121 -1.147 -5.567 1.00 0.00 O ATOM 0 H GLY A 20 8.922 -0.412 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.122 0.077 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.492 1.242 -5.453 1.00 0.00 H new ATOM 297 N ILE A 21 6.740 -1.343 -7.129 1.00 0.00 N ATOM 298 CA ILE A 21 6.079 -2.408 -7.855 1.00 0.00 C ATOM 299 C ILE A 21 5.794 -3.575 -6.933 1.00 0.00 C ATOM 300 O ILE A 21 6.709 -4.247 -6.460 1.00 0.00 O ATOM 301 CB ILE A 21 6.931 -2.905 -9.016 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.527 -1.712 -9.781 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.082 -3.802 -9.902 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.538 -0.945 -10.629 1.00 0.00 C ATOM 0 H ILE A 21 7.633 -1.054 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 21 5.147 -2.001 -8.247 1.00 0.00 H new ATOM 0 HB ILE A 21 7.771 -3.494 -8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.977 -1.026 -9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.330 -2.074 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.683 -4.163 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.721 -4.651 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.232 -3.236 -10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.049 -0.123 -11.130 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.105 -1.611 -11.375 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.746 -0.547 -9.994 1.00 0.00 H new ATOM 316 N PHE A 22 4.520 -3.836 -6.730 1.00 0.00 N ATOM 317 CA PHE A 22 4.078 -4.880 -5.828 1.00 0.00 C ATOM 318 C PHE A 22 4.571 -6.268 -6.209 1.00 0.00 C ATOM 319 O PHE A 22 4.145 -6.845 -7.206 1.00 0.00 O ATOM 320 CB PHE A 22 2.561 -4.873 -5.770 1.00 0.00 C ATOM 321 CG PHE A 22 1.992 -3.729 -4.973 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.588 -3.305 -3.793 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.853 -3.079 -5.406 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.049 -2.253 -3.071 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.313 -2.036 -4.691 1.00 0.00 C ATOM 326 CZ PHE A 22 0.909 -1.622 -3.525 1.00 0.00 C ATOM 0 H PHE A 22 3.760 -3.330 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 22 4.511 -4.661 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.167 -4.828 -6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.218 -5.812 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.479 -3.799 -3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.378 -3.396 -6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.520 -1.927 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.580 -1.542 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.485 -0.803 -2.963 1.00 0.00 H new ATOM 336 N THR A 23 5.472 -6.795 -5.397 1.00 0.00 N ATOM 337 CA THR A 23 5.988 -8.134 -5.595 1.00 0.00 C ATOM 338 C THR A 23 5.088 -9.108 -4.842 1.00 0.00 C ATOM 339 O THR A 23 5.247 -10.327 -4.916 1.00 0.00 O ATOM 340 CB THR A 23 7.437 -8.256 -5.097 1.00 0.00 C ATOM 341 OG1 THR A 23 7.499 -8.001 -3.688 1.00 0.00 O ATOM 342 CG2 THR A 23 8.328 -7.270 -5.838 1.00 0.00 C ATOM 0 H THR A 23 5.862 -6.310 -4.589 1.00 0.00 H new ATOM 0 HA THR A 23 5.992 -8.364 -6.660 1.00 0.00 H new ATOM 0 HB THR A 23 7.788 -9.270 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.236 -8.513 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.353 -7.364 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.298 -7.484 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.973 -6.255 -5.661 1.00 0.00 H new ATOM 350 N PHE A 24 4.134 -8.523 -4.114 1.00 0.00 N ATOM 351 CA PHE A 24 3.153 -9.262 -3.330 1.00 0.00 C ATOM 352 C PHE A 24 2.105 -8.301 -2.781 1.00 0.00 C ATOM 353 O PHE A 24 2.397 -7.141 -2.513 1.00 0.00 O ATOM 354 CB PHE A 24 3.814 -10.014 -2.171 1.00 0.00 C ATOM 355 CG PHE A 24 2.827 -10.503 -1.139 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.221 -11.742 -1.270 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.491 -9.711 -0.048 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.303 -12.183 -0.334 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.572 -10.146 0.887 1.00 0.00 C ATOM 360 CZ PHE A 24 0.977 -11.382 0.745 1.00 0.00 C ATOM 0 H PHE A 24 4.023 -7.511 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 24 2.681 -9.994 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.367 -10.866 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.540 -9.359 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.468 -12.371 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.954 -8.743 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.841 -13.153 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.320 -9.518 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.258 -11.724 1.475 1.00 0.00 H new ATOM 370 N VAL A 25 0.875 -8.777 -2.660 1.00 0.00 N ATOM 371 CA VAL A 25 -0.214 -7.982 -2.111 1.00 0.00 C ATOM 372 C VAL A 25 -1.143 -8.877 -1.320 1.00 0.00 C ATOM 373 O VAL A 25 -1.617 -9.900 -1.810 1.00 0.00 O ATOM 374 CB VAL A 25 -1.023 -7.243 -3.200 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.799 -6.086 -2.599 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.124 -6.751 -4.317 1.00 0.00 C ATOM 0 H VAL A 25 0.604 -9.720 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 25 0.234 -7.224 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.730 -7.955 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.362 -5.579 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.488 -6.464 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.105 -5.383 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.724 -6.236 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.618 -6.064 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.382 -7.600 -4.778 1.00 0.00 H new ATOM 386 N ASP A 26 -1.369 -8.497 -0.081 1.00 0.00 N ATOM 387 CA ASP A 26 -2.235 -9.246 0.804 1.00 0.00 C ATOM 388 C ASP A 26 -3.698 -9.056 0.385 1.00 0.00 C ATOM 389 O ASP A 26 -4.132 -7.941 0.107 1.00 0.00 O ATOM 390 CB ASP A 26 -1.967 -8.796 2.234 1.00 0.00 C ATOM 391 CG ASP A 26 -3.039 -9.234 3.210 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.152 -10.452 3.458 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.756 -8.360 3.736 1.00 0.00 O ATOM 0 H ASP A 26 -0.959 -7.663 0.340 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.030 -10.315 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.005 -9.194 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.887 -7.709 2.257 1.00 0.00 H new ATOM 398 N HIS A 27 -4.438 -10.164 0.335 1.00 0.00 N ATOM 399 CA HIS A 27 -5.841 -10.173 -0.107 1.00 0.00 C ATOM 400 C HIS A 27 -6.731 -9.126 0.568 1.00 0.00 C ATOM 401 O HIS A 27 -7.852 -8.900 0.117 1.00 0.00 O ATOM 402 CB HIS A 27 -6.436 -11.570 0.068 1.00 0.00 C ATOM 403 CG HIS A 27 -6.628 -11.978 1.497 1.00 0.00 C ATOM 404 ND1 HIS A 27 -5.787 -11.921 2.557 1.00 0.00 N flip ATOM 405 CD2 HIS A 27 -7.797 -12.538 1.970 1.00 0.00 C flip ATOM 406 CE1 HIS A 27 -6.456 -12.440 3.637 1.00 0.00 C flip ATOM 407 NE2 HIS A 27 -7.666 -12.805 3.257 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.085 -11.084 0.599 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.820 -9.897 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.398 -11.610 -0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.785 -12.295 -0.421 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -4.833 -11.559 2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.681 -12.728 1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.057 -12.534 4.636 1.00 0.00 H new ATOM 416 N ARG A 28 -6.269 -8.496 1.640 1.00 0.00 N ATOM 417 CA ARG A 28 -7.080 -7.471 2.297 1.00 0.00 C ATOM 418 C ARG A 28 -7.222 -6.261 1.384 1.00 0.00 C ATOM 419 O ARG A 28 -8.179 -5.494 1.483 1.00 0.00 O ATOM 420 CB ARG A 28 -6.469 -7.040 3.630 1.00 0.00 C ATOM 421 CG ARG A 28 -6.899 -7.900 4.806 1.00 0.00 C ATOM 422 CD ARG A 28 -7.047 -7.070 6.071 1.00 0.00 C ATOM 423 NE ARG A 28 -7.571 -7.855 7.186 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.056 -7.834 8.412 1.00 0.00 C ATOM 425 NH1 ARG A 28 -5.996 -7.083 8.677 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.600 -8.568 9.374 1.00 0.00 N ATOM 0 H ARG A 28 -5.359 -8.668 2.068 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.062 -7.900 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.383 -7.070 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.746 -6.005 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.846 -8.388 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.165 -8.689 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.078 -6.653 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.712 -6.229 5.876 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.379 -8.454 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.573 -6.519 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.603 -7.069 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.414 -9.149 9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.204 -8.551 10.314 1.00 0.00 H new ATOM 440 N CYS A 29 -6.245 -6.108 0.501 1.00 0.00 N ATOM 441 CA CYS A 29 -6.189 -5.007 -0.442 1.00 0.00 C ATOM 442 C CYS A 29 -7.495 -4.798 -1.209 1.00 0.00 C ATOM 443 O CYS A 29 -7.773 -3.690 -1.650 1.00 0.00 O ATOM 444 CB CYS A 29 -5.055 -5.259 -1.424 1.00 0.00 C ATOM 445 SG CYS A 29 -5.269 -6.747 -2.420 1.00 0.00 S ATOM 0 H CYS A 29 -5.460 -6.755 0.421 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.019 -4.097 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.964 -4.399 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.119 -5.335 -0.871 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.207 -6.550 -3.299 1.00 0.00 H new ATOM 451 N VAL A 30 -8.290 -5.844 -1.400 1.00 0.00 N ATOM 452 CA VAL A 30 -9.543 -5.681 -2.132 1.00 0.00 C ATOM 453 C VAL A 30 -10.598 -5.017 -1.247 1.00 0.00 C ATOM 454 O VAL A 30 -11.468 -4.302 -1.730 1.00 0.00 O ATOM 455 CB VAL A 30 -10.075 -7.015 -2.709 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.068 -8.135 -2.523 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.403 -7.386 -2.088 1.00 0.00 C ATOM 0 H VAL A 30 -8.099 -6.790 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.332 -5.033 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.227 -6.872 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.471 -9.059 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.141 -7.880 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.868 -8.272 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.753 -8.327 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.283 -7.496 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.132 -6.602 -2.293 1.00 0.00 H new ATOM 467 N ALA A 31 -10.542 -5.284 0.049 1.00 0.00 N ATOM 468 CA ALA A 31 -11.473 -4.667 0.981 1.00 0.00 C ATOM 469 C ALA A 31 -10.997 -3.266 1.322 1.00 0.00 C ATOM 470 O ALA A 31 -11.787 -2.376 1.633 1.00 0.00 O ATOM 471 CB ALA A 31 -11.594 -5.498 2.244 1.00 0.00 C ATOM 0 H ALA A 31 -9.868 -5.919 0.477 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.456 -4.611 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.295 -5.020 2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.957 -6.494 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.618 -5.578 2.722 1.00 0.00 H new ATOM 477 N THR A 32 -9.685 -3.089 1.229 1.00 0.00 N ATOM 478 CA THR A 32 -9.033 -1.827 1.550 1.00 0.00 C ATOM 479 C THR A 32 -9.075 -0.831 0.398 1.00 0.00 C ATOM 480 O THR A 32 -9.615 0.267 0.533 1.00 0.00 O ATOM 481 CB THR A 32 -7.562 -2.090 1.891 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.454 -3.155 2.842 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.899 -0.850 2.442 1.00 0.00 C ATOM 0 H THR A 32 -9.041 -3.820 0.927 1.00 0.00 H new ATOM 0 HA THR A 32 -9.574 -1.397 2.393 1.00 0.00 H new ATOM 0 HB THR A 32 -7.053 -2.374 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.731 -3.997 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.857 -1.068 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.947 -0.052 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.415 -0.534 3.349 1.00 0.00 H new ATOM 491 N VAL A 33 -8.506 -1.224 -0.734 1.00 0.00 N ATOM 492 CA VAL A 33 -8.454 -0.364 -1.902 1.00 0.00 C ATOM 493 C VAL A 33 -9.250 -0.941 -3.061 1.00 0.00 C ATOM 494 O VAL A 33 -9.134 -0.481 -4.191 1.00 0.00 O ATOM 495 CB VAL A 33 -7.001 -0.119 -2.335 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.254 0.601 -1.228 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.317 -1.427 -2.670 1.00 0.00 C ATOM 0 H VAL A 33 -8.073 -2.138 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.906 0.587 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.999 0.503 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.223 0.774 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.737 1.557 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.264 -0.010 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.289 -1.232 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.319 -2.074 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.850 -1.918 -3.484 1.00 0.00 H new ATOM 507 N GLY A 34 -10.038 -1.969 -2.776 1.00 0.00 N ATOM 508 CA GLY A 34 -10.868 -2.577 -3.813 1.00 0.00 C ATOM 509 C GLY A 34 -10.079 -3.422 -4.792 1.00 0.00 C ATOM 510 O GLY A 34 -10.600 -4.386 -5.353 1.00 0.00 O ATOM 0 H GLY A 34 -10.122 -2.395 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.631 -3.196 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.389 -1.791 -4.360 1.00 0.00 H new ATOM 514 N TYR A 35 -8.824 -3.059 -4.995 1.00 0.00 N ATOM 515 CA TYR A 35 -7.956 -3.768 -5.917 1.00 0.00 C ATOM 516 C TYR A 35 -7.515 -5.113 -5.367 1.00 0.00 C ATOM 517 O TYR A 35 -6.879 -5.183 -4.316 1.00 0.00 O ATOM 518 CB TYR A 35 -6.735 -2.918 -6.209 1.00 0.00 C ATOM 519 CG TYR A 35 -7.082 -1.645 -6.913 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.772 -1.665 -8.114 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.731 -0.425 -6.374 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.101 -0.503 -8.760 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.052 0.749 -7.013 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.739 0.709 -8.210 1.00 0.00 C ATOM 525 OH TYR A 35 -8.064 1.880 -8.855 1.00 0.00 O ATOM 0 H TYR A 35 -8.381 -2.268 -4.527 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.521 -3.954 -6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.225 -2.686 -5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.036 -3.489 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.055 -2.613 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.196 -0.392 -5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.641 -0.536 -9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.768 1.697 -6.581 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.728 2.371 -8.327 1.00 0.00 H new ATOM 535 N GLN A 36 -7.859 -6.180 -6.077 1.00 0.00 N ATOM 536 CA GLN A 36 -7.458 -7.512 -5.676 1.00 0.00 C ATOM 537 C GLN A 36 -5.936 -7.563 -5.598 1.00 0.00 C ATOM 538 O GLN A 36 -5.266 -6.727 -6.202 1.00 0.00 O ATOM 539 CB GLN A 36 -7.960 -8.538 -6.692 1.00 0.00 C ATOM 540 CG GLN A 36 -9.464 -8.508 -6.900 1.00 0.00 C ATOM 541 CD GLN A 36 -9.948 -9.618 -7.813 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.354 -10.695 -7.868 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.032 -9.361 -8.535 1.00 0.00 N ATOM 0 H GLN A 36 -8.414 -6.144 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.887 -7.748 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.467 -8.361 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.668 -9.535 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.963 -8.593 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.750 -7.545 -7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.493 -8.454 -8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.404 -10.070 -9.167 1.00 0.00 H new ATOM 552 N PRO A 37 -5.354 -8.508 -4.849 1.00 0.00 N ATOM 553 CA PRO A 37 -3.911 -8.607 -4.751 1.00 0.00 C ATOM 554 C PRO A 37 -3.255 -8.594 -6.120 1.00 0.00 C ATOM 555 O PRO A 37 -2.206 -7.987 -6.302 1.00 0.00 O ATOM 556 CB PRO A 37 -3.664 -9.933 -4.055 1.00 0.00 C ATOM 557 CG PRO A 37 -4.953 -10.367 -3.462 1.00 0.00 C ATOM 558 CD PRO A 37 -6.046 -9.513 -4.037 1.00 0.00 C ATOM 0 HA PRO A 37 -3.486 -7.762 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.297 -10.676 -4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.902 -9.826 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.137 -11.419 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.925 -10.268 -2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.732 -10.105 -4.642 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.637 -9.045 -3.250 1.00 0.00 H new ATOM 566 N GLN A 38 -3.878 -9.268 -7.081 1.00 0.00 N ATOM 567 CA GLN A 38 -3.354 -9.308 -8.439 1.00 0.00 C ATOM 568 C GLN A 38 -3.582 -7.965 -9.120 1.00 0.00 C ATOM 569 O GLN A 38 -2.835 -7.568 -10.014 1.00 0.00 O ATOM 570 CB GLN A 38 -4.013 -10.425 -9.236 1.00 0.00 C ATOM 571 CG GLN A 38 -5.517 -10.306 -9.266 1.00 0.00 C ATOM 572 CD GLN A 38 -6.143 -11.003 -10.458 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.616 -11.996 -10.959 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.275 -10.484 -10.920 1.00 0.00 N ATOM 0 H GLN A 38 -4.743 -9.792 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.283 -9.507 -8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.631 -10.413 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.737 -11.387 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.928 -10.728 -8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.792 -9.251 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.677 -9.660 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.742 -10.910 -11.721 1.00 0.00 H new ATOM 583 N GLU A 39 -4.629 -7.273 -8.678 1.00 0.00 N ATOM 584 CA GLU A 39 -4.974 -5.961 -9.206 1.00 0.00 C ATOM 585 C GLU A 39 -3.933 -4.936 -8.770 1.00 0.00 C ATOM 586 O GLU A 39 -3.944 -3.790 -9.217 1.00 0.00 O ATOM 587 CB GLU A 39 -6.356 -5.550 -8.695 1.00 0.00 C ATOM 588 CG GLU A 39 -7.357 -5.247 -9.794 1.00 0.00 C ATOM 589 CD GLU A 39 -8.776 -5.610 -9.404 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.317 -4.980 -8.475 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.345 -6.531 -10.028 1.00 0.00 O ATOM 0 H GLU A 39 -5.258 -7.606 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.992 -6.005 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.752 -6.349 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.250 -4.669 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.311 -4.186 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.080 -5.795 -10.695 1.00 0.00 H new ATOM 598 N LEU A 40 -3.038 -5.368 -7.886 1.00 0.00 N ATOM 599 CA LEU A 40 -1.980 -4.515 -7.369 1.00 0.00 C ATOM 600 C LEU A 40 -0.614 -5.069 -7.758 1.00 0.00 C ATOM 601 O LEU A 40 0.307 -4.324 -8.080 1.00 0.00 O ATOM 602 CB LEU A 40 -2.084 -4.438 -5.846 1.00 0.00 C ATOM 603 CG LEU A 40 -2.829 -3.240 -5.247 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.283 -2.243 -6.304 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.011 -3.743 -4.442 1.00 0.00 C ATOM 0 H LEU A 40 -3.028 -6.316 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.091 -3.518 -7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.573 -5.347 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.073 -4.443 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.136 -2.703 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.805 -1.415 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.415 -1.861 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.955 -2.737 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.546 -2.896 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.682 -4.304 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.656 -4.392 -3.641 1.00 0.00 H new ATOM 617 N LEU A 41 -0.504 -6.389 -7.726 1.00 0.00 N ATOM 618 CA LEU A 41 0.735 -7.079 -8.055 1.00 0.00 C ATOM 619 C LEU A 41 1.280 -6.636 -9.406 1.00 0.00 C ATOM 620 O LEU A 41 0.559 -6.603 -10.404 1.00 0.00 O ATOM 621 CB LEU A 41 0.499 -8.591 -8.048 1.00 0.00 C ATOM 622 CG LEU A 41 0.631 -9.263 -6.678 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.337 -10.433 -6.550 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.064 -9.725 -6.453 1.00 0.00 C ATOM 0 H LEU A 41 -1.271 -7.012 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 41 1.479 -6.823 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.499 -8.789 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.207 -9.057 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 41 0.377 -8.531 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.224 -10.893 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.359 -10.074 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.121 -11.170 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.144 -10.201 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.342 -10.439 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.734 -8.866 -6.494 1.00 0.00 H new ATOM 636 N GLY A 42 2.562 -6.295 -9.420 1.00 0.00 N ATOM 637 CA GLY A 42 3.208 -5.854 -10.638 1.00 0.00 C ATOM 638 C GLY A 42 2.976 -4.385 -10.909 1.00 0.00 C ATOM 639 O GLY A 42 3.496 -3.834 -11.879 1.00 0.00 O ATOM 0 H GLY A 42 3.170 -6.317 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.279 -6.044 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.834 -6.440 -11.478 1.00 0.00 H new ATOM 643 N LYS A 43 2.189 -3.750 -10.049 1.00 0.00 N ATOM 644 CA LYS A 43 1.885 -2.338 -10.194 1.00 0.00 C ATOM 645 C LYS A 43 2.665 -1.507 -9.202 1.00 0.00 C ATOM 646 O LYS A 43 2.884 -1.914 -8.062 1.00 0.00 O ATOM 647 CB LYS A 43 0.402 -2.078 -9.973 1.00 0.00 C ATOM 648 CG LYS A 43 -0.490 -3.045 -10.704 1.00 0.00 C ATOM 649 CD LYS A 43 -1.836 -2.432 -11.021 1.00 0.00 C ATOM 650 CE LYS A 43 -2.560 -3.206 -12.110 1.00 0.00 C ATOM 651 NZ LYS A 43 -2.608 -4.665 -11.815 1.00 0.00 N ATOM 0 H LYS A 43 1.750 -4.195 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 43 2.165 -2.055 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.186 -2.132 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.167 -1.064 -10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.006 -3.359 -11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.631 -3.940 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.449 -2.412 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.700 -1.398 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.575 -2.823 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.059 -3.045 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.927 -5.164 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.365 -4.825 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.566 -5.025 -12.000 1.00 0.00 H new ATOM 665 N ASN A 44 3.071 -0.336 -9.642 1.00 0.00 N ATOM 666 CA ASN A 44 3.801 0.574 -8.783 1.00 0.00 C ATOM 667 C ASN A 44 2.844 1.142 -7.748 1.00 0.00 C ATOM 668 O ASN A 44 1.878 1.821 -8.084 1.00 0.00 O ATOM 669 CB ASN A 44 4.430 1.700 -9.606 1.00 0.00 C ATOM 670 CG ASN A 44 5.513 2.439 -8.855 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.233 3.316 -8.041 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.757 2.101 -9.148 1.00 0.00 N ATOM 0 H ASN A 44 2.909 0.009 -10.588 1.00 0.00 H new ATOM 0 HA ASN A 44 4.606 0.037 -8.282 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.849 1.284 -10.522 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.653 2.405 -9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.536 2.575 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.938 1.366 -9.831 1.00 0.00 H new ATOM 679 N ILE A 45 3.103 0.825 -6.490 1.00 0.00 N ATOM 680 CA ILE A 45 2.274 1.283 -5.393 1.00 0.00 C ATOM 681 C ILE A 45 2.006 2.783 -5.477 1.00 0.00 C ATOM 682 O ILE A 45 0.885 3.236 -5.243 1.00 0.00 O ATOM 683 CB ILE A 45 2.953 0.962 -4.056 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.070 1.368 -2.884 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.289 1.659 -3.983 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.675 1.061 -1.531 1.00 0.00 C ATOM 0 H ILE A 45 3.892 0.245 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 45 1.319 0.762 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 45 3.110 -0.115 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.867 2.437 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.112 0.856 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.768 1.428 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.923 1.317 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.142 2.736 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.989 1.378 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.853 -0.011 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.619 1.595 -1.425 1.00 0.00 H new ATOM 698 N VAL A 46 3.034 3.549 -5.829 1.00 0.00 N ATOM 699 CA VAL A 46 2.897 4.993 -5.921 1.00 0.00 C ATOM 700 C VAL A 46 2.037 5.396 -7.116 1.00 0.00 C ATOM 701 O VAL A 46 1.424 6.461 -7.106 1.00 0.00 O ATOM 702 CB VAL A 46 4.256 5.730 -5.936 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.364 4.826 -5.430 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.579 6.300 -7.310 1.00 0.00 C ATOM 0 H VAL A 46 3.964 3.194 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 46 2.386 5.308 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 46 4.179 6.579 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.311 5.365 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.143 4.517 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.435 3.945 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.542 6.809 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.623 5.491 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.804 7.009 -7.601 1.00 0.00 H new ATOM 714 N GLU A 47 2.020 4.567 -8.164 1.00 0.00 N ATOM 715 CA GLU A 47 1.195 4.863 -9.333 1.00 0.00 C ATOM 716 C GLU A 47 -0.236 5.136 -8.891 1.00 0.00 C ATOM 717 O GLU A 47 -0.963 5.898 -9.528 1.00 0.00 O ATOM 718 CB GLU A 47 1.222 3.711 -10.338 1.00 0.00 C ATOM 719 CG GLU A 47 2.281 3.865 -11.417 1.00 0.00 C ATOM 720 CD GLU A 47 2.210 2.769 -12.462 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.729 1.664 -12.200 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.635 3.016 -13.544 1.00 0.00 O ATOM 0 H GLU A 47 2.558 3.702 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 47 1.602 5.746 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.395 2.778 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.243 3.630 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.162 4.834 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.269 3.859 -10.956 1.00 0.00 H new ATOM 729 N PHE A 48 -0.629 4.502 -7.790 1.00 0.00 N ATOM 730 CA PHE A 48 -1.957 4.699 -7.225 1.00 0.00 C ATOM 731 C PHE A 48 -1.906 5.880 -6.282 1.00 0.00 C ATOM 732 O PHE A 48 -2.854 6.654 -6.168 1.00 0.00 O ATOM 733 CB PHE A 48 -2.414 3.460 -6.459 1.00 0.00 C ATOM 734 CG PHE A 48 -2.544 2.240 -7.312 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.442 1.443 -7.575 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.771 1.886 -7.846 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.569 0.308 -8.363 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.901 0.761 -8.629 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.799 -0.027 -8.886 1.00 0.00 C ATOM 0 H PHE A 48 -0.044 3.846 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.665 4.881 -8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.704 3.258 -5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.375 3.668 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.478 1.707 -7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.637 2.500 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.707 -0.310 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.864 0.496 -9.041 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.900 -0.910 -9.499 1.00 0.00 H new ATOM 749 N CYS A 49 -0.773 5.994 -5.604 1.00 0.00 N ATOM 750 CA CYS A 49 -0.535 7.083 -4.663 1.00 0.00 C ATOM 751 C CYS A 49 -0.698 8.432 -5.349 1.00 0.00 C ATOM 752 O CYS A 49 -0.382 8.576 -6.530 1.00 0.00 O ATOM 753 CB CYS A 49 0.881 6.986 -4.095 1.00 0.00 C ATOM 754 SG CYS A 49 1.374 8.403 -3.085 1.00 0.00 S ATOM 0 H CYS A 49 0.004 5.339 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.265 6.998 -3.858 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.957 6.081 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.585 6.880 -4.920 1.00 0.00 H new ATOM 0 HG CYS A 49 1.227 9.497 -3.771 1.00 0.00 H new ATOM 760 N HIS A 50 -1.197 9.417 -4.610 1.00 0.00 N ATOM 761 CA HIS A 50 -1.363 10.754 -5.157 1.00 0.00 C ATOM 762 C HIS A 50 0.001 11.272 -5.606 1.00 0.00 C ATOM 763 O HIS A 50 0.976 11.132 -4.874 1.00 0.00 O ATOM 764 CB HIS A 50 -1.982 11.685 -4.111 1.00 0.00 C ATOM 765 CG HIS A 50 -2.430 13.007 -4.651 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.582 13.891 -5.284 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.650 13.598 -4.642 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.259 14.968 -5.642 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.515 14.814 -5.265 1.00 0.00 N ATOM 0 H HIS A 50 -1.491 9.314 -3.639 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.038 10.723 -6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.836 11.184 -3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.254 11.857 -3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.558 13.189 -4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.854 15.828 -6.155 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.265 15.490 -5.413 1.00 0.00 H new ATOM 778 N PRO A 51 0.096 11.854 -6.814 1.00 0.00 N ATOM 779 CA PRO A 51 1.363 12.355 -7.357 1.00 0.00 C ATOM 780 C PRO A 51 2.201 13.143 -6.351 1.00 0.00 C ATOM 781 O PRO A 51 3.340 12.774 -6.061 1.00 0.00 O ATOM 782 CB PRO A 51 0.906 13.248 -8.504 1.00 0.00 C ATOM 783 CG PRO A 51 -0.342 12.600 -8.983 1.00 0.00 C ATOM 784 CD PRO A 51 -1.021 12.089 -7.747 1.00 0.00 C ATOM 0 HA PRO A 51 2.023 11.540 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.723 14.269 -8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.657 13.302 -9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.975 13.310 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.123 11.788 -9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.730 12.815 -7.349 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.579 11.173 -7.945 1.00 0.00 H new ATOM 792 N GLU A 52 1.633 14.220 -5.822 1.00 0.00 N ATOM 793 CA GLU A 52 2.333 15.066 -4.861 1.00 0.00 C ATOM 794 C GLU A 52 2.778 14.280 -3.628 1.00 0.00 C ATOM 795 O GLU A 52 3.625 14.741 -2.862 1.00 0.00 O ATOM 796 CB GLU A 52 1.427 16.221 -4.439 1.00 0.00 C ATOM 797 CG GLU A 52 0.991 17.106 -5.595 1.00 0.00 C ATOM 798 CD GLU A 52 0.097 18.248 -5.150 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.122 18.023 -4.998 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.617 19.367 -4.954 1.00 0.00 O ATOM 0 H GLU A 52 0.686 14.530 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 52 3.229 15.453 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.542 15.817 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.950 16.831 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.873 17.512 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.462 16.501 -6.332 1.00 0.00 H new ATOM 807 N ASP A 53 2.206 13.096 -3.441 1.00 0.00 N ATOM 808 CA ASP A 53 2.535 12.256 -2.296 1.00 0.00 C ATOM 809 C ASP A 53 3.451 11.091 -2.671 1.00 0.00 C ATOM 810 O ASP A 53 4.064 10.482 -1.794 1.00 0.00 O ATOM 811 CB ASP A 53 1.255 11.714 -1.660 1.00 0.00 C ATOM 812 CG ASP A 53 0.367 12.816 -1.118 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.401 13.403 -1.909 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.438 13.093 0.098 1.00 0.00 O ATOM 0 H ASP A 53 1.510 12.695 -4.070 1.00 0.00 H new ATOM 0 HA ASP A 53 3.072 12.882 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.701 11.136 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.515 11.031 -0.852 1.00 0.00 H new ATOM 819 N GLN A 54 3.548 10.771 -3.963 1.00 0.00 N ATOM 820 CA GLN A 54 4.390 9.669 -4.397 1.00 0.00 C ATOM 821 C GLN A 54 5.838 9.902 -3.991 1.00 0.00 C ATOM 822 O GLN A 54 6.571 8.959 -3.706 1.00 0.00 O ATOM 823 CB GLN A 54 4.305 9.474 -5.905 1.00 0.00 C ATOM 824 CG GLN A 54 2.893 9.470 -6.448 1.00 0.00 C ATOM 825 CD GLN A 54 2.851 9.303 -7.954 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.775 9.706 -8.661 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.774 8.712 -8.453 1.00 0.00 N ATOM 0 H GLN A 54 3.058 11.256 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 54 4.025 8.766 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.869 10.267 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.786 8.532 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.330 8.663 -5.980 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.400 10.403 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.032 8.393 -7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.687 8.576 -9.460 1.00 0.00 H new ATOM 836 N GLN A 55 6.244 11.165 -3.975 1.00 0.00 N ATOM 837 CA GLN A 55 7.606 11.518 -3.598 1.00 0.00 C ATOM 838 C GLN A 55 7.884 11.116 -2.156 1.00 0.00 C ATOM 839 O GLN A 55 9.009 10.764 -1.799 1.00 0.00 O ATOM 840 CB GLN A 55 7.838 13.018 -3.778 1.00 0.00 C ATOM 841 CG GLN A 55 9.272 13.449 -3.514 1.00 0.00 C ATOM 842 CD GLN A 55 10.261 12.800 -4.461 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.547 13.326 -5.536 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.789 11.648 -4.064 1.00 0.00 N ATOM 0 H GLN A 55 5.652 11.959 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 55 8.292 10.976 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.564 13.300 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.174 13.563 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.344 14.533 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.540 13.198 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.523 11.248 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.461 11.163 -4.659 1.00 0.00 H new ATOM 853 N LEU A 56 6.843 11.168 -1.336 1.00 0.00 N ATOM 854 CA LEU A 56 6.937 10.813 0.065 1.00 0.00 C ATOM 855 C LEU A 56 6.901 9.304 0.221 1.00 0.00 C ATOM 856 O LEU A 56 7.589 8.735 1.068 1.00 0.00 O ATOM 857 CB LEU A 56 5.783 11.461 0.829 1.00 0.00 C ATOM 858 CG LEU A 56 5.446 10.835 2.180 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.875 11.743 3.321 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.957 10.537 2.252 1.00 0.00 C ATOM 0 H LEU A 56 5.910 11.459 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 56 7.880 11.177 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.022 12.513 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.892 11.427 0.202 1.00 0.00 H new ATOM 0 HG LEU A 56 5.996 9.899 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.624 11.275 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.951 11.907 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.358 12.699 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.722 10.090 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.394 11.463 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.686 9.844 1.456 1.00 0.00 H new ATOM 872 N LEU A 57 6.088 8.666 -0.607 1.00 0.00 N ATOM 873 CA LEU A 57 5.959 7.222 -0.582 1.00 0.00 C ATOM 874 C LEU A 57 7.282 6.585 -0.966 1.00 0.00 C ATOM 875 O LEU A 57 7.850 5.791 -0.216 1.00 0.00 O ATOM 876 CB LEU A 57 4.859 6.782 -1.547 1.00 0.00 C ATOM 877 CG LEU A 57 4.459 5.313 -1.444 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.101 4.968 -0.010 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.297 5.011 -2.379 1.00 0.00 C ATOM 0 H LEU A 57 5.507 9.130 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 57 5.690 6.900 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.976 7.396 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.189 6.982 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 57 5.306 4.696 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.817 3.917 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.962 5.150 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.267 5.589 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.025 3.959 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.442 5.631 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.591 5.227 -3.406 1.00 0.00 H new ATOM 891 N ARG A 58 7.761 6.945 -2.148 1.00 0.00 N ATOM 892 CA ARG A 58 9.032 6.449 -2.647 1.00 0.00 C ATOM 893 C ARG A 58 10.138 6.761 -1.650 1.00 0.00 C ATOM 894 O ARG A 58 11.035 5.949 -1.432 1.00 0.00 O ATOM 895 CB ARG A 58 9.354 7.083 -4.000 1.00 0.00 C ATOM 896 CG ARG A 58 8.307 6.803 -5.064 1.00 0.00 C ATOM 897 CD ARG A 58 8.540 7.644 -6.308 1.00 0.00 C ATOM 898 NE ARG A 58 9.849 7.393 -6.903 1.00 0.00 N ATOM 899 CZ ARG A 58 10.589 8.334 -7.481 1.00 0.00 C ATOM 900 NH1 ARG A 58 10.151 9.585 -7.538 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.769 8.026 -8.001 1.00 0.00 N ATOM 0 H ARG A 58 7.283 7.584 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 58 8.961 5.369 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.452 8.161 -3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.319 6.713 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.329 5.746 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.315 7.011 -4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.762 7.430 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.455 8.700 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 58 10.217 6.442 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.244 9.827 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.721 10.305 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.110 7.066 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.335 8.749 -8.444 1.00 0.00 H new ATOM 915 N ASP A 59 10.058 7.944 -1.040 1.00 0.00 N ATOM 916 CA ASP A 59 11.046 8.362 -0.050 1.00 0.00 C ATOM 917 C ASP A 59 11.154 7.321 1.038 1.00 0.00 C ATOM 918 O ASP A 59 12.251 6.906 1.409 1.00 0.00 O ATOM 919 CB ASP A 59 10.671 9.713 0.550 1.00 0.00 C ATOM 920 CG ASP A 59 11.705 10.216 1.539 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.712 10.807 1.095 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.507 10.022 2.757 1.00 0.00 O ATOM 0 H ASP A 59 9.321 8.627 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 59 12.012 8.464 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.554 10.443 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.706 9.630 1.049 1.00 0.00 H new ATOM 927 N SER A 60 10.007 6.905 1.548 1.00 0.00 N ATOM 928 CA SER A 60 9.973 5.889 2.578 1.00 0.00 C ATOM 929 C SER A 60 10.765 4.670 2.119 1.00 0.00 C ATOM 930 O SER A 60 11.713 4.254 2.777 1.00 0.00 O ATOM 931 CB SER A 60 8.527 5.508 2.897 1.00 0.00 C ATOM 932 OG SER A 60 8.068 4.464 2.056 1.00 0.00 O ATOM 0 H SER A 60 9.092 7.256 1.265 1.00 0.00 H new ATOM 0 HA SER A 60 10.428 6.281 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.453 5.197 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.885 6.381 2.779 1.00 0.00 H new ATOM 0 HG SER A 60 7.798 4.836 1.190 1.00 0.00 H new ATOM 938 N PHE A 61 10.392 4.129 0.964 1.00 0.00 N ATOM 939 CA PHE A 61 11.068 2.963 0.412 1.00 0.00 C ATOM 940 C PHE A 61 12.561 3.206 0.285 1.00 0.00 C ATOM 941 O PHE A 61 13.361 2.291 0.471 1.00 0.00 O ATOM 942 CB PHE A 61 10.480 2.609 -0.953 1.00 0.00 C ATOM 943 CG PHE A 61 8.982 2.485 -0.935 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.329 1.967 0.175 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.226 2.893 -2.020 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.954 1.858 0.201 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.849 2.787 -2.000 1.00 0.00 C ATOM 948 CZ PHE A 61 6.212 2.269 -0.888 1.00 0.00 C ATOM 0 H PHE A 61 9.624 4.481 0.392 1.00 0.00 H new ATOM 0 HA PHE A 61 10.914 2.129 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.767 3.374 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.912 1.669 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.905 1.645 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.718 3.299 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.459 1.452 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.270 3.109 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.135 2.186 -0.871 1.00 0.00 H new ATOM 958 N GLN A 62 12.935 4.444 -0.025 1.00 0.00 N ATOM 959 CA GLN A 62 14.339 4.786 -0.175 1.00 0.00 C ATOM 960 C GLN A 62 15.042 4.707 1.165 1.00 0.00 C ATOM 961 O GLN A 62 16.225 4.393 1.239 1.00 0.00 O ATOM 962 CB GLN A 62 14.492 6.192 -0.755 1.00 0.00 C ATOM 963 CG GLN A 62 13.845 6.362 -2.117 1.00 0.00 C ATOM 964 CD GLN A 62 14.861 6.560 -3.225 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.322 5.598 -3.839 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.216 7.813 -3.485 1.00 0.00 N ATOM 0 H GLN A 62 12.289 5.219 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 62 14.793 4.072 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.055 6.911 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.553 6.430 -0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.238 5.484 -2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.171 7.218 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.808 8.580 -2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.897 8.008 -4.219 1.00 0.00 H new ATOM 975 N GLN A 63 14.298 4.984 2.224 1.00 0.00 N ATOM 976 CA GLN A 63 14.844 4.962 3.565 1.00 0.00 C ATOM 977 C GLN A 63 14.930 3.542 4.131 1.00 0.00 C ATOM 978 O GLN A 63 15.926 3.180 4.754 1.00 0.00 O ATOM 979 CB GLN A 63 13.982 5.841 4.454 1.00 0.00 C ATOM 980 CG GLN A 63 13.968 7.301 4.021 1.00 0.00 C ATOM 981 CD GLN A 63 15.335 7.953 4.121 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.145 7.495 5.070 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.660 8.860 3.355 1.00 0.00 N flip ATOM 0 H GLN A 63 13.309 5.228 2.176 1.00 0.00 H new ATOM 0 HA GLN A 63 15.864 5.345 3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.961 5.458 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.345 5.776 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.612 7.368 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.260 7.853 4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.008 9.182 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.582 9.290 3.435 1.00 0.00 H new ATOM 992 N VAL A 64 13.886 2.742 3.917 1.00 0.00 N ATOM 993 CA VAL A 64 13.870 1.362 4.418 1.00 0.00 C ATOM 994 C VAL A 64 14.944 0.541 3.732 1.00 0.00 C ATOM 995 O VAL A 64 15.561 -0.336 4.334 1.00 0.00 O ATOM 996 CB VAL A 64 12.496 0.653 4.215 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.416 1.643 3.837 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.578 -0.455 3.168 1.00 0.00 C ATOM 0 H VAL A 64 13.047 3.018 3.406 1.00 0.00 H new ATOM 0 HA VAL A 64 14.058 1.427 5.490 1.00 0.00 H new ATOM 0 HB VAL A 64 12.234 0.199 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.471 1.117 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.309 2.385 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.689 2.142 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.600 -0.924 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.888 -0.031 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.305 -1.203 3.486 1.00 0.00 H new ATOM 1008 N VAL A 65 15.150 0.841 2.464 1.00 0.00 N ATOM 1009 CA VAL A 65 16.121 0.134 1.659 1.00 0.00 C ATOM 1010 C VAL A 65 17.535 0.609 1.968 1.00 0.00 C ATOM 1011 O VAL A 65 18.493 -0.160 1.890 1.00 0.00 O ATOM 1012 CB VAL A 65 15.811 0.313 0.167 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.152 1.722 -0.294 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.534 -0.733 -0.657 1.00 0.00 C ATOM 0 H VAL A 65 14.650 1.578 1.967 1.00 0.00 H new ATOM 0 HA VAL A 65 16.058 -0.926 1.905 1.00 0.00 H new ATOM 0 HB VAL A 65 14.740 0.172 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.923 1.823 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.564 2.443 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.213 1.911 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.302 -0.589 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.609 -0.636 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.212 -1.727 -0.347 1.00 0.00 H new ATOM 1024 N LYS A 66 17.653 1.884 2.318 1.00 0.00 N ATOM 1025 CA LYS A 66 18.940 2.468 2.666 1.00 0.00 C ATOM 1026 C LYS A 66 19.414 1.925 4.002 1.00 0.00 C ATOM 1027 O LYS A 66 20.583 1.581 4.181 1.00 0.00 O ATOM 1028 CB LYS A 66 18.816 3.986 2.762 1.00 0.00 C ATOM 1029 CG LYS A 66 19.024 4.703 1.439 1.00 0.00 C ATOM 1030 CD LYS A 66 18.767 6.199 1.560 1.00 0.00 C ATOM 1031 CE LYS A 66 19.727 6.858 2.539 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.515 8.329 2.622 1.00 0.00 N ATOM 0 H LYS A 66 16.869 2.535 2.368 1.00 0.00 H new ATOM 0 HA LYS A 66 19.660 2.208 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.828 4.237 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.545 4.356 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.044 4.536 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.358 4.279 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.869 6.666 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.741 6.367 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.597 6.417 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.753 6.656 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.189 8.739 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.664 8.755 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.544 8.522 2.940 1.00 0.00 H new ATOM 1046 N LEU A 67 18.478 1.857 4.935 1.00 0.00 N ATOM 1047 CA LEU A 67 18.748 1.377 6.277 1.00 0.00 C ATOM 1048 C LEU A 67 18.500 -0.123 6.364 1.00 0.00 C ATOM 1049 O LEU A 67 18.628 -0.732 7.427 1.00 0.00 O ATOM 1050 CB LEU A 67 17.859 2.144 7.248 1.00 0.00 C ATOM 1051 CG LEU A 67 17.889 3.663 7.053 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.928 4.348 8.010 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.303 4.191 7.240 1.00 0.00 C ATOM 0 H LEU A 67 17.509 2.134 4.781 1.00 0.00 H new ATOM 0 HA LEU A 67 19.793 1.546 6.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.832 1.794 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.168 1.913 8.267 1.00 0.00 H new ATOM 0 HG LEU A 67 17.568 3.887 6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.966 5.426 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.915 3.990 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.213 4.120 9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.309 5.272 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.650 3.955 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.965 3.726 6.510 1.00 0.00 H new ATOM 1065 N LYS A 68 18.156 -0.694 5.215 1.00 0.00 N ATOM 1066 CA LYS A 68 17.887 -2.124 5.073 1.00 0.00 C ATOM 1067 C LYS A 68 17.265 -2.742 6.320 1.00 0.00 C ATOM 1068 O LYS A 68 17.961 -3.294 7.174 1.00 0.00 O ATOM 1069 CB LYS A 68 19.167 -2.860 4.710 1.00 0.00 C ATOM 1070 CG LYS A 68 19.352 -3.044 3.219 1.00 0.00 C ATOM 1071 CD LYS A 68 18.352 -4.040 2.653 1.00 0.00 C ATOM 1072 CE LYS A 68 17.806 -3.578 1.313 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.862 -3.544 0.264 1.00 0.00 N ATOM 0 H LYS A 68 18.054 -0.172 4.344 1.00 0.00 H new ATOM 0 HA LYS A 68 17.155 -2.229 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.019 -2.310 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.164 -3.838 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.236 -2.084 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.366 -3.390 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.831 -5.012 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.530 -4.172 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.004 -4.245 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.370 -2.585 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.445 -3.240 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.608 -2.875 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.272 -4.493 0.153 1.00 0.00 H new ATOM 1087 N GLY A 69 15.950 -2.641 6.406 1.00 0.00 N ATOM 1088 CA GLY A 69 15.218 -3.206 7.525 1.00 0.00 C ATOM 1089 C GLY A 69 14.433 -2.166 8.292 1.00 0.00 C ATOM 1090 O GLY A 69 13.305 -2.421 8.717 1.00 0.00 O ATOM 0 H GLY A 69 15.367 -2.172 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.536 -3.973 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.918 -3.699 8.200 1.00 0.00 H new ATOM 1094 N GLN A 70 15.029 -0.995 8.473 1.00 0.00 N ATOM 1095 CA GLN A 70 14.374 0.092 9.188 1.00 0.00 C ATOM 1096 C GLN A 70 13.013 0.387 8.568 1.00 0.00 C ATOM 1097 O GLN A 70 12.904 0.575 7.357 1.00 0.00 O ATOM 1098 CB GLN A 70 15.249 1.339 9.149 1.00 0.00 C ATOM 1099 CG GLN A 70 14.746 2.472 10.025 1.00 0.00 C ATOM 1100 CD GLN A 70 14.721 2.111 11.498 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.655 1.265 11.920 1.00 0.00 O flip ATOM 1102 NE2 GLN A 70 13.874 2.592 12.251 1.00 0.00 N flip ATOM 0 H GLN A 70 15.965 -0.774 8.134 1.00 0.00 H new ATOM 0 HA GLN A 70 14.227 -0.207 10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.259 1.072 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.317 1.691 8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.381 3.346 9.881 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.742 2.752 9.707 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.175 3.238 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.872 2.344 13.240 1.00 0.00 H new ATOM 1111 N VAL A 71 11.979 0.430 9.401 1.00 0.00 N ATOM 1112 CA VAL A 71 10.634 0.683 8.920 1.00 0.00 C ATOM 1113 C VAL A 71 10.367 2.171 8.737 1.00 0.00 C ATOM 1114 O VAL A 71 10.881 3.012 9.474 1.00 0.00 O ATOM 1115 CB VAL A 71 9.580 0.100 9.869 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.222 0.045 9.180 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.001 -1.277 10.358 1.00 0.00 C ATOM 0 H VAL A 71 12.050 0.293 10.409 1.00 0.00 H new ATOM 0 HA VAL A 71 10.559 0.190 7.951 1.00 0.00 H new ATOM 0 HB VAL A 71 9.495 0.752 10.739 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.483 -0.371 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.921 1.051 8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.289 -0.585 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.240 -1.673 11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.116 -1.946 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.949 -1.200 10.890 1.00 0.00 H new ATOM 1127 N LEU A 72 9.548 2.470 7.740 1.00 0.00 N ATOM 1128 CA LEU A 72 9.176 3.827 7.398 1.00 0.00 C ATOM 1129 C LEU A 72 7.673 4.017 7.537 1.00 0.00 C ATOM 1130 O LEU A 72 6.901 3.074 7.359 1.00 0.00 O ATOM 1131 CB LEU A 72 9.588 4.110 5.956 1.00 0.00 C ATOM 1132 CG LEU A 72 11.014 4.615 5.753 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.098 6.084 6.097 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.008 3.811 6.580 1.00 0.00 C ATOM 0 H LEU A 72 9.120 1.765 7.140 1.00 0.00 H new ATOM 0 HA LEU A 72 9.682 4.515 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.462 3.195 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.900 4.847 5.541 1.00 0.00 H new ATOM 0 HG LEU A 72 11.276 4.483 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.119 6.435 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.424 6.648 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.812 6.231 7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.014 4.195 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.756 3.898 7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.966 2.763 6.282 1.00 0.00 H new ATOM 1146 N SER A 73 7.261 5.237 7.850 1.00 0.00 N ATOM 1147 CA SER A 73 5.847 5.542 7.993 1.00 0.00 C ATOM 1148 C SER A 73 5.498 6.795 7.216 1.00 0.00 C ATOM 1149 O SER A 73 5.967 7.888 7.533 1.00 0.00 O ATOM 1150 CB SER A 73 5.473 5.723 9.458 1.00 0.00 C ATOM 1151 OG SER A 73 4.082 5.536 9.657 1.00 0.00 O ATOM 0 H SER A 73 7.884 6.029 8.009 1.00 0.00 H new ATOM 0 HA SER A 73 5.280 4.702 7.592 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.030 5.012 10.069 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.760 6.721 9.789 1.00 0.00 H new ATOM 0 HG SER A 73 3.868 5.656 10.606 1.00 0.00 H new ATOM 1157 N VAL A 74 4.674 6.627 6.197 1.00 0.00 N ATOM 1158 CA VAL A 74 4.263 7.757 5.365 1.00 0.00 C ATOM 1159 C VAL A 74 2.788 7.678 5.006 1.00 0.00 C ATOM 1160 O VAL A 74 2.283 6.613 4.652 1.00 0.00 O ATOM 1161 CB VAL A 74 5.082 7.837 4.056 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.563 8.014 4.348 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.845 6.606 3.202 1.00 0.00 C ATOM 0 H VAL A 74 4.276 5.729 5.923 1.00 0.00 H new ATOM 0 HA VAL A 74 4.448 8.652 5.960 1.00 0.00 H new ATOM 0 HB VAL A 74 4.744 8.711 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.115 8.067 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.715 8.935 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.922 7.167 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.430 6.681 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.148 5.716 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.786 6.535 2.952 1.00 0.00 H new ATOM 1173 N MET A 75 2.092 8.805 5.099 1.00 0.00 N ATOM 1174 CA MET A 75 0.683 8.834 4.747 1.00 0.00 C ATOM 1175 C MET A 75 0.509 9.357 3.342 1.00 0.00 C ATOM 1176 O MET A 75 1.020 10.422 2.993 1.00 0.00 O ATOM 1177 CB MET A 75 -0.140 9.691 5.698 1.00 0.00 C ATOM 1178 CG MET A 75 -0.374 9.055 7.050 1.00 0.00 C ATOM 1179 SD MET A 75 -1.762 9.794 7.927 1.00 0.00 S ATOM 1180 CE MET A 75 -3.105 9.333 6.838 1.00 0.00 C ATOM 0 H MET A 75 2.476 9.697 5.411 1.00 0.00 H new ATOM 0 HA MET A 75 0.321 7.808 4.820 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.365 10.647 5.840 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.104 9.905 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.557 7.988 6.920 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.527 9.152 7.655 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.024 9.818 7.168 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.873 9.649 5.821 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.237 8.251 6.861 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.216 8.607 2.542 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.457 9.003 1.163 1.00 0.00 C ATOM 1192 C PHE A 76 -1.889 8.701 0.741 1.00 0.00 C ATOM 1193 O PHE A 76 -2.610 7.974 1.418 1.00 0.00 O ATOM 1194 CB PHE A 76 0.520 8.287 0.237 1.00 0.00 C ATOM 1195 CG PHE A 76 0.169 6.848 0.011 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.467 5.887 0.962 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.468 6.459 -1.151 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.136 4.569 0.752 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.799 5.138 -1.364 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.494 4.192 -0.407 1.00 0.00 C ATOM 0 H PHE A 76 -0.648 7.725 2.815 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.304 10.080 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.546 8.803 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.523 8.348 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.964 6.175 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.709 7.198 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.373 3.828 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.295 4.844 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.751 3.156 -0.570 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.285 9.266 -0.390 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.627 9.066 -0.923 1.00 0.00 C ATOM 1212 C ARG A 77 -3.632 7.961 -1.978 1.00 0.00 C ATOM 1213 O ARG A 77 -3.157 8.155 -3.096 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.141 10.378 -1.515 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.109 11.529 -0.524 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.128 12.884 -1.215 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.433 13.194 -1.788 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.112 14.306 -1.514 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.606 15.208 -0.683 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.297 14.518 -2.068 1.00 0.00 N ATOM 0 H ARG A 77 -1.693 9.870 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.288 8.756 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.539 10.638 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.163 10.236 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.965 11.453 0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.214 11.450 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.855 13.659 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.375 12.898 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.848 12.522 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.695 15.050 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.128 16.059 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.692 13.828 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.814 15.371 -1.855 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.169 6.800 -1.609 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.229 5.655 -2.514 1.00 0.00 C ATOM 1236 C PHE A 78 -5.506 5.666 -3.344 1.00 0.00 C ATOM 1237 O PHE A 78 -6.583 5.369 -2.827 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.177 4.339 -1.719 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.851 3.129 -2.564 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.778 2.607 -3.457 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.611 2.518 -2.471 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.469 1.501 -4.234 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.299 1.418 -3.245 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.227 0.910 -4.126 1.00 0.00 C ATOM 0 H PHE A 78 -4.570 6.627 -0.687 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.369 5.727 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.431 4.431 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.139 4.182 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.751 3.068 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.877 2.908 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.199 1.103 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.327 0.956 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.983 0.050 -4.732 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.398 6.003 -4.627 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.568 5.976 -5.489 1.00 0.00 C ATOM 1256 C ARG A 79 -7.005 4.531 -5.613 1.00 0.00 C ATOM 1257 O ARG A 79 -6.398 3.750 -6.344 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.269 6.567 -6.869 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.465 6.546 -7.811 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.596 5.206 -8.509 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.340 5.305 -9.761 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.073 4.570 -10.837 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.093 3.676 -10.808 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.786 4.728 -11.944 1.00 0.00 N ATOM 0 H ARG A 79 -4.531 6.291 -5.081 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.360 6.587 -5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.929 7.596 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.449 6.011 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.376 6.756 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.359 7.336 -8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.603 4.805 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.097 4.501 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.107 5.975 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.542 3.551 -9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.891 3.114 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.540 5.414 -11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.580 4.164 -12.768 1.00 0.00 H new ATOM 1278 N SER A 80 -8.041 4.175 -4.878 1.00 0.00 N ATOM 1279 CA SER A 80 -8.525 2.816 -4.868 1.00 0.00 C ATOM 1280 C SER A 80 -9.464 2.507 -6.025 1.00 0.00 C ATOM 1281 O SER A 80 -9.669 3.326 -6.918 1.00 0.00 O ATOM 1282 CB SER A 80 -9.203 2.548 -3.538 1.00 0.00 C ATOM 1283 OG SER A 80 -8.254 2.576 -2.491 1.00 0.00 O ATOM 0 H SER A 80 -8.563 4.814 -4.279 1.00 0.00 H new ATOM 0 HA SER A 80 -7.668 2.155 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.975 3.296 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.699 1.577 -3.563 1.00 0.00 H new ATOM 0 HG SER A 80 -7.746 3.413 -2.532 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.009 1.296 -5.999 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.921 0.826 -7.022 1.00 0.00 C ATOM 1291 C LYS A 81 -12.144 1.734 -7.114 1.00 0.00 C ATOM 1292 O LYS A 81 -12.808 1.799 -8.148 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.340 -0.609 -6.711 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.905 -1.319 -7.911 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.081 -2.537 -8.262 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.722 -3.317 -9.384 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.007 -3.942 -8.967 1.00 0.00 N ATOM 0 H LYS A 81 -9.827 0.614 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.414 0.849 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.478 -1.163 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.084 -0.602 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.934 -1.618 -7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.932 -0.637 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.077 -2.230 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.976 -3.175 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.900 -2.654 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.036 -4.092 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.276 -4.675 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.894 -4.373 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.750 -3.215 -8.928 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.428 2.440 -6.022 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.564 3.353 -5.972 1.00 0.00 C ATOM 1313 C ASN A 82 -13.208 4.690 -6.613 1.00 0.00 C ATOM 1314 O ASN A 82 -14.036 5.599 -6.684 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.006 3.574 -4.526 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.385 2.280 -3.833 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.540 1.857 -3.870 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -13.408 1.643 -3.196 1.00 0.00 N ATOM 0 H ASN A 82 -11.885 2.396 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.385 2.904 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.201 4.057 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.857 4.255 -4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.602 0.766 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.465 2.031 -3.191 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.963 4.794 -7.071 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.465 6.007 -7.717 1.00 0.00 C ATOM 1327 C GLN A 83 -11.484 7.177 -6.741 1.00 0.00 C ATOM 1328 O GLN A 83 -11.783 8.311 -7.116 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.296 6.339 -8.961 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.789 5.112 -9.714 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.631 5.242 -11.215 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -11.522 4.731 -11.737 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -13.499 5.784 -11.900 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.274 4.045 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.436 5.829 -8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.155 6.941 -8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.696 6.951 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.240 4.235 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.840 4.944 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.336 6.163 -11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.381 5.854 -12.911 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.157 6.888 -5.487 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.133 7.904 -4.443 1.00 0.00 C ATOM 1344 C GLU A 84 -9.789 7.905 -3.724 1.00 0.00 C ATOM 1345 O GLU A 84 -9.183 6.852 -3.524 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.256 7.657 -3.440 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.637 7.592 -4.072 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.731 7.346 -3.053 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.975 6.168 -2.717 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.345 8.331 -2.590 1.00 0.00 O ATOM 0 H GLU A 84 -10.904 5.953 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.280 8.878 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.062 6.722 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.245 8.451 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.837 8.526 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.655 6.797 -4.818 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.328 9.090 -3.338 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.058 9.220 -2.640 1.00 0.00 C ATOM 1359 C TRP A 85 -8.147 8.629 -1.236 1.00 0.00 C ATOM 1360 O TRP A 85 -8.488 9.321 -0.277 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.642 10.692 -2.577 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.171 11.237 -3.889 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.596 12.370 -4.514 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.180 10.664 -4.732 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.928 12.532 -5.705 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.050 11.491 -5.860 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.394 9.528 -4.633 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.154 11.208 -6.889 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.505 9.242 -5.649 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.390 10.079 -6.766 1.00 0.00 C ATOM 0 H TRP A 85 -9.815 9.972 -3.497 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.301 8.664 -3.193 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.487 11.285 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.848 10.805 -1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.348 13.043 -4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.063 13.299 -6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.475 8.877 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.066 11.854 -7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.888 8.358 -5.582 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.685 9.829 -7.545 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.836 7.339 -1.131 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.880 6.632 0.145 1.00 0.00 C ATOM 1383 C LEU A 86 -6.628 6.893 0.970 1.00 0.00 C ATOM 1384 O LEU A 86 -5.587 6.284 0.731 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.021 5.123 -0.089 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.370 4.640 -0.642 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.652 3.230 -0.157 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.497 5.578 -0.236 1.00 0.00 C ATOM 0 H LEU A 86 -7.549 6.760 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.744 7.005 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.237 4.810 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.837 4.612 0.856 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.315 4.638 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.610 2.894 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.863 2.562 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.686 3.220 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.440 5.211 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.562 5.620 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.298 6.576 -0.626 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.729 7.780 1.956 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.584 8.083 2.801 1.00 0.00 C ATOM 1402 C TRP A 87 -5.144 6.838 3.548 1.00 0.00 C ATOM 1403 O TRP A 87 -5.944 6.169 4.202 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.897 9.205 3.783 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.576 10.564 3.241 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.458 11.455 2.702 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.282 11.184 3.172 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.797 12.588 2.297 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.462 12.447 2.574 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.986 10.800 3.554 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.404 13.324 2.347 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.941 11.675 3.327 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.154 12.921 2.727 1.00 0.00 C ATOM 0 H TRP A 87 -7.580 8.294 2.186 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.772 8.421 2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.954 9.165 4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.333 9.044 4.702 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.522 11.292 2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.229 13.402 1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.810 9.840 4.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.565 14.288 1.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.940 11.392 3.618 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.313 13.578 2.561 1.00 0.00 H new ATOM 1424 N MET A 88 -3.864 6.541 3.439 1.00 0.00 N ATOM 1425 CA MET A 88 -3.287 5.368 4.072 1.00 0.00 C ATOM 1426 C MET A 88 -1.949 5.684 4.702 1.00 0.00 C ATOM 1427 O MET A 88 -1.321 6.691 4.391 1.00 0.00 O ATOM 1428 CB MET A 88 -3.078 4.263 3.039 1.00 0.00 C ATOM 1429 CG MET A 88 -4.318 3.919 2.253 1.00 0.00 C ATOM 1430 SD MET A 88 -5.198 2.496 2.901 1.00 0.00 S ATOM 1431 CE MET A 88 -6.491 2.370 1.675 1.00 0.00 C ATOM 0 H MET A 88 -3.196 7.103 2.912 1.00 0.00 H new ATOM 0 HA MET A 88 -3.982 5.042 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.294 4.570 2.346 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.721 3.367 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.987 4.780 2.248 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.041 3.725 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.707 1.319 1.481 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.391 2.863 2.043 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.165 2.850 0.752 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.532 4.805 5.590 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.253 4.927 6.257 1.00 0.00 C ATOM 1443 C ARG A 89 0.586 3.708 5.906 1.00 0.00 C ATOM 1444 O ARG A 89 0.172 2.577 6.157 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.441 5.004 7.770 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.502 5.995 8.202 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.036 6.812 9.390 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.989 6.026 10.619 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.928 6.562 11.835 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.911 7.881 11.981 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.887 5.781 12.905 1.00 0.00 N ATOM 0 H ARG A 89 -2.071 3.985 5.869 1.00 0.00 H new ATOM 0 HA ARG A 89 0.244 5.840 5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.706 4.015 8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.508 5.277 8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.743 6.659 7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.418 5.463 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.046 7.218 9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.706 7.661 9.530 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.004 5.009 10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.945 8.485 11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.864 8.290 12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.902 4.767 12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.840 6.194 13.836 1.00 0.00 H new ATOM 1465 N THR A 90 1.758 3.924 5.335 1.00 0.00 N ATOM 1466 CA THR A 90 2.598 2.806 4.929 1.00 0.00 C ATOM 1467 C THR A 90 3.641 2.436 5.965 1.00 0.00 C ATOM 1468 O THR A 90 4.279 3.307 6.564 1.00 0.00 O ATOM 1469 CB THR A 90 3.343 3.093 3.624 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.554 3.801 3.898 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.483 3.898 2.682 1.00 0.00 C ATOM 0 H THR A 90 2.147 4.847 5.143 1.00 0.00 H new ATOM 0 HA THR A 90 1.901 1.977 4.802 1.00 0.00 H new ATOM 0 HB THR A 90 3.580 2.141 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.321 3.221 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.033 4.090 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.575 3.341 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.218 4.846 3.151 1.00 0.00 H new ATOM 1479 N SER A 91 3.802 1.126 6.142 1.00 0.00 N ATOM 1480 CA SER A 91 4.795 0.562 7.043 1.00 0.00 C ATOM 1481 C SER A 91 5.827 -0.167 6.190 1.00 0.00 C ATOM 1482 O SER A 91 5.878 -1.397 6.159 1.00 0.00 O ATOM 1483 CB SER A 91 4.134 -0.400 8.034 1.00 0.00 C ATOM 1484 OG SER A 91 3.863 0.243 9.268 1.00 0.00 O ATOM 0 H SER A 91 3.241 0.424 5.659 1.00 0.00 H new ATOM 0 HA SER A 91 5.274 1.349 7.625 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.206 -0.784 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.786 -1.257 8.203 1.00 0.00 H new ATOM 0 HG SER A 91 3.440 -0.393 9.882 1.00 0.00 H new ATOM 1490 N SER A 92 6.641 0.619 5.490 1.00 0.00 N ATOM 1491 CA SER A 92 7.639 0.088 4.567 1.00 0.00 C ATOM 1492 C SER A 92 8.938 -0.316 5.257 1.00 0.00 C ATOM 1493 O SER A 92 9.577 0.478 5.933 1.00 0.00 O ATOM 1494 CB SER A 92 7.937 1.125 3.489 1.00 0.00 C ATOM 1495 OG SER A 92 6.803 1.938 3.239 1.00 0.00 O ATOM 0 H SER A 92 6.627 1.637 5.546 1.00 0.00 H new ATOM 0 HA SER A 92 7.217 -0.816 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.775 1.749 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.239 0.623 2.570 1.00 0.00 H new ATOM 0 HG SER A 92 6.829 2.261 2.314 1.00 0.00 H new ATOM 1501 N GLN A 93 9.320 -1.565 5.059 1.00 0.00 N ATOM 1502 CA GLN A 93 10.554 -2.106 5.612 1.00 0.00 C ATOM 1503 C GLN A 93 10.963 -3.330 4.813 1.00 0.00 C ATOM 1504 O GLN A 93 10.118 -4.148 4.463 1.00 0.00 O ATOM 1505 CB GLN A 93 10.389 -2.476 7.084 1.00 0.00 C ATOM 1506 CG GLN A 93 9.311 -3.517 7.336 1.00 0.00 C ATOM 1507 CD GLN A 93 9.450 -4.187 8.685 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.682 -4.298 9.154 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.464 -4.600 9.295 1.00 0.00 N flip ATOM 0 H GLN A 93 8.784 -2.236 4.509 1.00 0.00 H new ATOM 0 HA GLN A 93 11.328 -1.342 5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.339 -2.851 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.152 -1.576 7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.332 -3.043 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.353 -4.274 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.533 -4.492 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.578 -5.051 10.203 1.00 0.00 H new ATOM 1518 N THR A 94 12.255 -3.456 4.538 1.00 0.00 N ATOM 1519 CA THR A 94 12.765 -4.574 3.756 1.00 0.00 C ATOM 1520 C THR A 94 12.071 -5.873 4.132 1.00 0.00 C ATOM 1521 O THR A 94 12.108 -6.306 5.284 1.00 0.00 O ATOM 1522 CB THR A 94 14.279 -4.717 3.933 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.579 -5.239 5.233 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.944 -3.364 3.757 1.00 0.00 C ATOM 0 H THR A 94 12.970 -2.796 4.846 1.00 0.00 H new ATOM 0 HA THR A 94 12.553 -4.364 2.708 1.00 0.00 H new ATOM 0 HB THR A 94 14.659 -5.408 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.764 -5.608 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.022 -3.469 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.731 -2.981 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.557 -2.669 4.502 1.00 0.00 H new ATOM 1532 N ALA A 95 11.433 -6.479 3.138 1.00 0.00 N ATOM 1533 CA ALA A 95 10.691 -7.715 3.330 1.00 0.00 C ATOM 1534 C ALA A 95 11.529 -8.801 3.995 1.00 0.00 C ATOM 1535 O ALA A 95 12.736 -8.650 4.187 1.00 0.00 O ATOM 1536 CB ALA A 95 10.144 -8.199 2.003 1.00 0.00 C ATOM 0 H ALA A 95 11.416 -6.128 2.181 1.00 0.00 H new ATOM 0 HA ALA A 95 9.864 -7.500 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.589 -9.125 2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.480 -7.442 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.969 -8.378 1.313 1.00 0.00 H new ATOM 1542 N GLN A 96 10.869 -9.900 4.332 1.00 0.00 N ATOM 1543 CA GLN A 96 11.511 -11.023 4.995 1.00 0.00 C ATOM 1544 C GLN A 96 12.343 -11.858 4.036 1.00 0.00 C ATOM 1545 O GLN A 96 13.556 -11.677 3.927 1.00 0.00 O ATOM 1546 CB GLN A 96 10.447 -11.886 5.654 1.00 0.00 C ATOM 1547 CG GLN A 96 9.438 -11.076 6.445 1.00 0.00 C ATOM 1548 CD GLN A 96 9.985 -10.598 7.776 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.559 -9.513 7.871 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.808 -11.407 8.813 1.00 0.00 N ATOM 0 H GLN A 96 9.874 -10.037 4.153 1.00 0.00 H new ATOM 0 HA GLN A 96 12.194 -10.627 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.925 -12.459 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.928 -12.605 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.127 -10.214 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.548 -11.681 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.326 -12.298 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.154 -11.138 9.734 1.00 0.00 H new ATOM 1619 N ASP A 101 15.360 -8.435 -0.414 1.00 0.00 N ATOM 1620 CA ASP A 101 15.857 -7.280 -1.151 1.00 0.00 C ATOM 1621 C ASP A 101 14.710 -6.344 -1.519 1.00 0.00 C ATOM 1622 O ASP A 101 14.926 -5.264 -2.069 1.00 0.00 O ATOM 1623 CB ASP A 101 16.591 -7.734 -2.415 1.00 0.00 C ATOM 1624 CG ASP A 101 17.223 -6.578 -3.167 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.361 -6.196 -2.821 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.579 -6.054 -4.100 1.00 0.00 O ATOM 0 HA ASP A 101 16.555 -6.739 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.364 -8.453 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.891 -8.251 -3.072 1.00 0.00 H new ATOM 1631 N GLU A 102 13.487 -6.767 -1.206 1.00 0.00 N ATOM 1632 CA GLU A 102 12.306 -5.978 -1.500 1.00 0.00 C ATOM 1633 C GLU A 102 11.953 -5.063 -0.344 1.00 0.00 C ATOM 1634 O GLU A 102 12.804 -4.711 0.473 1.00 0.00 O ATOM 1635 CB GLU A 102 11.133 -6.890 -1.799 1.00 0.00 C ATOM 1636 CG GLU A 102 11.320 -7.713 -3.052 1.00 0.00 C ATOM 1637 CD GLU A 102 12.313 -7.110 -4.030 1.00 0.00 C ATOM 1638 OE1 GLU A 102 11.909 -6.230 -4.820 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.492 -7.519 -4.007 1.00 0.00 O ATOM 0 H GLU A 102 13.294 -7.657 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 102 12.525 -5.362 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.977 -7.559 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.230 -6.288 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.657 -8.712 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.357 -7.828 -3.549 1.00 0.00 H new ATOM 1646 N ILE A 103 10.683 -4.692 -0.282 1.00 0.00 N ATOM 1647 CA ILE A 103 10.192 -3.805 0.761 1.00 0.00 C ATOM 1648 C ILE A 103 8.746 -4.115 1.127 1.00 0.00 C ATOM 1649 O ILE A 103 7.823 -3.848 0.356 1.00 0.00 O ATOM 1650 CB ILE A 103 10.290 -2.323 0.328 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.744 -1.948 0.019 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.695 -1.402 1.393 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.921 -0.565 -0.574 1.00 0.00 C ATOM 0 H ILE A 103 9.970 -4.994 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 103 10.824 -3.972 1.633 1.00 0.00 H new ATOM 0 HB ILE A 103 9.707 -2.193 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.326 -2.013 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.157 -2.682 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.776 -0.366 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.645 -1.653 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.239 -1.529 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.979 -0.382 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.369 -0.498 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.542 0.181 0.124 1.00 0.00 H new ATOM 1665 N GLU A 104 8.566 -4.695 2.307 1.00 0.00 N ATOM 1666 CA GLU A 104 7.248 -5.019 2.817 1.00 0.00 C ATOM 1667 C GLU A 104 6.566 -3.752 3.310 1.00 0.00 C ATOM 1668 O GLU A 104 6.939 -3.197 4.343 1.00 0.00 O ATOM 1669 CB GLU A 104 7.366 -6.018 3.960 1.00 0.00 C ATOM 1670 CG GLU A 104 6.107 -6.834 4.183 1.00 0.00 C ATOM 1671 CD GLU A 104 6.262 -7.857 5.291 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.832 -8.937 5.027 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.816 -7.578 6.423 1.00 0.00 O ATOM 0 H GLU A 104 9.330 -4.952 2.933 1.00 0.00 H new ATOM 0 HA GLU A 104 6.653 -5.461 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.196 -6.694 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.609 -5.482 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.283 -6.164 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.841 -7.344 3.257 1.00 0.00 H new ATOM 1680 N THR A 105 5.569 -3.301 2.569 1.00 0.00 N ATOM 1681 CA THR A 105 4.853 -2.087 2.915 1.00 0.00 C ATOM 1682 C THR A 105 3.412 -2.376 3.314 1.00 0.00 C ATOM 1683 O THR A 105 2.596 -2.779 2.485 1.00 0.00 O ATOM 1684 CB THR A 105 4.889 -1.099 1.736 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.212 -0.579 1.602 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.908 0.047 1.925 1.00 0.00 C ATOM 0 H THR A 105 5.236 -3.760 1.721 1.00 0.00 H new ATOM 0 HA THR A 105 5.351 -1.642 3.776 1.00 0.00 H new ATOM 0 HB THR A 105 4.597 -1.638 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.343 -0.250 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.966 0.721 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.896 -0.350 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.157 0.593 2.835 1.00 0.00 H new ATOM 1694 N ILE A 106 3.108 -2.164 4.592 1.00 0.00 N ATOM 1695 CA ILE A 106 1.759 -2.394 5.099 1.00 0.00 C ATOM 1696 C ILE A 106 0.920 -1.134 4.976 1.00 0.00 C ATOM 1697 O ILE A 106 1.041 -0.211 5.783 1.00 0.00 O ATOM 1698 CB ILE A 106 1.748 -2.856 6.572 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.429 -4.219 6.712 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.312 -2.923 7.094 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.938 -4.159 6.614 1.00 0.00 C ATOM 0 H ILE A 106 3.774 -1.835 5.291 1.00 0.00 H new ATOM 0 HA ILE A 106 1.336 -3.192 4.489 1.00 0.00 H new ATOM 0 HB ILE A 106 2.303 -2.131 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.153 -4.656 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.050 -4.886 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.318 -3.250 8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.146 -1.936 7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.261 -3.631 6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.350 -5.162 6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.224 -3.752 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.329 -3.519 7.405 1.00 0.00 H new ATOM 1713 N ILE A 107 0.073 -1.099 3.960 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.789 0.046 3.733 1.00 0.00 C ATOM 1715 C ILE A 107 -2.037 -0.027 4.610 1.00 0.00 C ATOM 1716 O ILE A 107 -2.925 -0.844 4.373 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.195 0.135 2.261 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.057 0.285 1.400 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.143 1.303 2.054 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.208 0.137 -0.075 1.00 0.00 C ATOM 0 H ILE A 107 -0.035 -1.852 3.280 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.227 0.941 3.999 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.714 -0.777 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.501 1.263 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.791 -0.461 1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.427 1.359 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.035 1.160 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.648 2.229 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.725 0.255 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.623 -0.851 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.918 0.900 -0.395 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.103 0.840 5.616 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.231 0.857 6.545 1.00 0.00 C ATOM 1734 C CYS A 108 -4.169 2.034 6.287 1.00 0.00 C ATOM 1735 O CYS A 108 -3.733 3.177 6.166 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.714 0.919 7.983 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.003 1.165 9.227 1.00 0.00 S ATOM 0 H CYS A 108 -1.388 1.541 5.810 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.799 -0.060 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.182 -0.006 8.206 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.990 1.730 8.062 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.068 0.503 8.885 1.00 0.00 H new ATOM 1743 N THR A 109 -5.464 1.740 6.212 1.00 0.00 N ATOM 1744 CA THR A 109 -6.478 2.767 5.991 1.00 0.00 C ATOM 1745 C THR A 109 -6.535 3.729 7.174 1.00 0.00 C ATOM 1746 O THR A 109 -6.478 3.305 8.328 1.00 0.00 O ATOM 1747 CB THR A 109 -7.871 2.138 5.805 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.171 1.277 6.910 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.940 1.351 4.509 1.00 0.00 C ATOM 0 H THR A 109 -5.837 0.795 6.301 1.00 0.00 H new ATOM 0 HA THR A 109 -6.200 3.308 5.086 1.00 0.00 H new ATOM 0 HB THR A 109 -8.606 2.942 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.059 0.882 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.934 0.916 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.741 2.016 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.196 0.555 4.527 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.651 5.022 6.888 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.718 6.031 7.942 1.00 0.00 C ATOM 1759 C ASN A 110 -8.171 6.422 8.218 1.00 0.00 C ATOM 1760 O ASN A 110 -9.083 5.623 8.004 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.897 7.265 7.552 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.314 7.982 8.757 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -4.083 7.638 9.113 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -5.957 8.845 9.355 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.700 5.396 5.940 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.296 5.607 8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.088 6.963 6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.529 7.956 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.901 9.081 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.545 9.324 10.156 1.00 0.00 H new