USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot 123:sc= 1.22 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.794 USER MOD Set 2.1: A 60 TYR OH : rot -1:sc= 0.516 USER MOD Set 2.2: A 81 TYR OH : rot 156:sc= -1.38! USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 15 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.5) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0447 F(o=-0.61,f=-0.045) USER MOD Single : A 23 SER OG : rot 180:sc=0.000212 USER MOD Single : A 25 GLN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 26 MET CE :methyl 136:sc= -3.3 (180deg=-4.82!) USER MOD Single : A 27 SER OG : rot 51:sc= 0.197 USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.275 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -109:sc= -0.573 (180deg=-1.95!) USER MOD Single : A 38 THR OG1 : rot 71:sc= -4.7! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= -0.0665 (180deg=-1.13!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.9) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc=-0.00572 (180deg=-0.155) USER MOD Single : A 72 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.033) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 78 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.83) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 7.577 4.541 -11.480 1.00 0.00 N ATOM 74 CA ASN A 5 7.812 4.867 -10.077 1.00 0.00 C ATOM 75 C ASN A 5 6.985 3.972 -9.181 1.00 0.00 C ATOM 76 O ASN A 5 6.311 4.413 -8.239 1.00 0.00 O ATOM 77 CB ASN A 5 7.479 6.366 -9.825 1.00 0.00 C ATOM 78 CG ASN A 5 7.518 7.302 -11.039 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.590 7.382 -11.831 1.00 0.00 O ATOM 80 ND2 ASN A 5 8.575 8.045 -11.227 1.00 0.00 N ATOM 0 HA ASN A 5 8.863 4.698 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.483 6.422 -9.386 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.178 6.748 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.617 8.679 -12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.359 7.991 -10.576 1.00 0.00 H new ATOM 87 N ALA A 6 7.010 2.686 -9.481 1.00 0.00 N ATOM 88 CA ALA A 6 6.159 1.699 -8.825 1.00 0.00 C ATOM 89 C ALA A 6 6.709 1.275 -7.480 1.00 0.00 C ATOM 90 O ALA A 6 7.787 1.679 -7.026 1.00 0.00 O ATOM 91 CB ALA A 6 6.002 0.512 -9.795 1.00 0.00 C ATOM 0 H ALA A 6 7.625 2.290 -10.192 1.00 0.00 H new ATOM 0 HA ALA A 6 5.183 2.131 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.370 -0.250 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.543 0.857 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.982 0.088 -10.012 1.00 0.00 H new ATOM 97 N LEU A 7 5.954 0.411 -6.819 1.00 0.00 N ATOM 98 CA LEU A 7 6.358 -0.213 -5.564 1.00 0.00 C ATOM 99 C LEU A 7 6.222 -1.716 -5.648 1.00 0.00 C ATOM 100 O LEU A 7 5.155 -2.262 -5.962 1.00 0.00 O ATOM 101 CB LEU A 7 5.526 0.349 -4.376 1.00 0.00 C ATOM 102 CG LEU A 7 5.377 -0.526 -3.101 1.00 0.00 C ATOM 103 CD1 LEU A 7 6.727 -0.638 -2.377 1.00 0.00 C ATOM 104 CD2 LEU A 7 4.314 -0.001 -2.122 1.00 0.00 C ATOM 0 H LEU A 7 5.032 0.118 -7.141 1.00 0.00 H new ATOM 0 HA LEU A 7 7.407 0.026 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.972 1.298 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.525 0.570 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 7 5.043 -1.507 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.611 -1.253 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.459 -1.096 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.070 0.356 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.262 -0.659 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.582 1.005 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.343 0.023 -2.617 1.00 0.00 H new ATOM 116 N GLU A 8 7.318 -2.409 -5.398 1.00 0.00 N ATOM 117 CA GLU A 8 7.303 -3.867 -5.308 1.00 0.00 C ATOM 118 C GLU A 8 6.514 -4.326 -4.104 1.00 0.00 C ATOM 119 O GLU A 8 7.037 -4.448 -2.986 1.00 0.00 O ATOM 120 CB GLU A 8 8.771 -4.374 -5.246 1.00 0.00 C ATOM 121 CG GLU A 8 9.825 -3.449 -4.553 1.00 0.00 C ATOM 122 CD GLU A 8 10.017 -3.572 -3.039 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.568 -4.529 -2.513 1.00 0.00 O ATOM 124 OE2 GLU A 8 9.519 -2.516 -2.337 1.00 0.00 O ATOM 0 H GLU A 8 8.236 -1.988 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 8 6.812 -4.284 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.774 -5.334 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.106 -4.560 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.790 -3.632 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.554 -2.416 -4.771 1.00 0.00 H new ATOM 131 N THR A 9 5.243 -4.612 -4.315 1.00 0.00 N ATOM 132 CA THR A 9 4.341 -4.997 -3.232 1.00 0.00 C ATOM 133 C THR A 9 4.130 -6.493 -3.215 1.00 0.00 C ATOM 134 O THR A 9 3.333 -7.050 -3.983 1.00 0.00 O ATOM 135 CB THR A 9 2.977 -4.238 -3.361 1.00 0.00 C ATOM 136 OG1 THR A 9 3.193 -2.900 -3.795 1.00 0.00 O ATOM 137 CG2 THR A 9 2.147 -4.096 -2.067 1.00 0.00 C ATOM 0 H THR A 9 4.803 -4.586 -5.235 1.00 0.00 H new ATOM 0 HA THR A 9 4.800 -4.715 -2.284 1.00 0.00 H new ATOM 0 HB THR A 9 2.424 -4.862 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.332 -2.438 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.226 -3.554 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.903 -5.086 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.725 -3.548 -1.322 1.00 0.00 H new ATOM 145 N TRP A 10 4.827 -7.166 -2.319 1.00 0.00 N ATOM 146 CA TRP A 10 4.842 -8.626 -2.273 1.00 0.00 C ATOM 147 C TRP A 10 3.881 -9.159 -1.237 1.00 0.00 C ATOM 148 O TRP A 10 3.521 -8.481 -0.264 1.00 0.00 O ATOM 149 CB TRP A 10 6.285 -9.106 -1.944 1.00 0.00 C ATOM 150 CG TRP A 10 7.297 -8.882 -3.072 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.153 -7.769 -3.198 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.491 -9.640 -4.207 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.880 -7.808 -4.404 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.452 -8.977 -5.012 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.915 -10.865 -4.632 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.826 -9.525 -6.258 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.232 -11.335 -5.908 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.175 -10.676 -6.710 1.00 0.00 C ATOM 0 H TRP A 10 5.400 -6.722 -1.601 1.00 0.00 H new ATOM 0 HA TRP A 10 4.527 -9.005 -3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.633 -8.587 -1.051 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.256 -10.169 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.241 -6.984 -2.461 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.562 -7.133 -4.749 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.250 -11.419 -3.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.601 -9.063 -6.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.743 -12.221 -6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.402 -11.064 -7.692 1.00 0.00 H new ATOM 169 N GLY A 11 3.468 -10.400 -1.420 1.00 0.00 N ATOM 170 CA GLY A 11 2.643 -11.104 -0.443 1.00 0.00 C ATOM 171 C GLY A 11 2.776 -12.601 -0.604 1.00 0.00 C ATOM 172 O GLY A 11 3.842 -13.130 -0.951 1.00 0.00 O ATOM 0 H GLY A 11 3.692 -10.952 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.940 -10.815 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.600 -10.812 -0.564 1.00 0.00 H new ATOM 176 N ALA A 12 1.686 -13.310 -0.374 1.00 0.00 N ATOM 177 CA ALA A 12 1.633 -14.749 -0.615 1.00 0.00 C ATOM 178 C ALA A 12 0.311 -15.145 -1.230 1.00 0.00 C ATOM 179 O ALA A 12 -0.666 -14.383 -1.228 1.00 0.00 O ATOM 180 CB ALA A 12 1.907 -15.458 0.723 1.00 0.00 C ATOM 0 H ALA A 12 0.817 -12.913 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 12 2.392 -15.051 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.874 -16.538 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.892 -15.172 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.149 -15.168 1.451 1.00 0.00 H new ATOM 186 N LEU A 13 0.252 -16.358 -1.746 1.00 0.00 N ATOM 187 CA LEU A 13 -0.907 -16.840 -2.500 1.00 0.00 C ATOM 188 C LEU A 13 -1.869 -17.563 -1.591 1.00 0.00 C ATOM 189 O LEU A 13 -1.565 -18.594 -0.975 1.00 0.00 O ATOM 190 CB LEU A 13 -0.412 -17.711 -3.697 1.00 0.00 C ATOM 191 CG LEU A 13 -1.359 -18.298 -4.776 1.00 0.00 C ATOM 192 CD1 LEU A 13 -0.556 -18.581 -6.065 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.057 -19.589 -4.323 1.00 0.00 C ATOM 0 H LEU A 13 1.003 -17.043 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.465 -16.001 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.326 -17.111 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.120 -18.557 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.137 -17.556 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.220 -18.994 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.118 -17.653 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.238 -19.297 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.706 -19.951 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.308 -20.346 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.654 -19.387 -3.433 1.00 0.00 H new ATOM 205 N GLY A 14 -3.067 -17.007 -1.473 1.00 0.00 N ATOM 206 CA GLY A 14 -4.043 -17.440 -0.479 1.00 0.00 C ATOM 207 C GLY A 14 -3.696 -16.786 0.856 1.00 0.00 C ATOM 208 O GLY A 14 -3.680 -17.391 1.934 1.00 0.00 O ATOM 0 H GLY A 14 -3.391 -16.242 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.050 -17.159 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.031 -18.526 -0.384 1.00 0.00 H new ATOM 212 N GLN A 15 -3.385 -15.503 0.761 1.00 0.00 N ATOM 213 CA GLN A 15 -2.819 -14.733 1.860 1.00 0.00 C ATOM 214 C GLN A 15 -3.590 -13.463 2.146 1.00 0.00 C ATOM 215 O GLN A 15 -4.711 -13.209 1.690 1.00 0.00 O ATOM 216 CB GLN A 15 -1.346 -14.399 1.506 1.00 0.00 C ATOM 217 CG GLN A 15 -0.268 -14.863 2.538 1.00 0.00 C ATOM 218 CD GLN A 15 0.059 -13.963 3.736 1.00 0.00 C ATOM 219 OE1 GLN A 15 -0.518 -14.099 4.803 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.977 -13.037 3.628 1.00 0.00 N ATOM 0 H GLN A 15 -3.520 -14.959 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.878 -15.334 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.114 -14.851 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.259 -13.320 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.585 -15.829 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.660 -15.030 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.470 -12.908 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.200 -12.444 4.427 1.00 0.00 H new ATOM 229 N ASP A 16 -2.995 -12.639 3.004 1.00 0.00 N ATOM 230 CA ASP A 16 -3.509 -11.295 3.243 1.00 0.00 C ATOM 231 C ASP A 16 -2.374 -10.309 3.405 1.00 0.00 C ATOM 232 O ASP A 16 -1.469 -10.461 4.238 1.00 0.00 O ATOM 233 CB ASP A 16 -4.491 -11.299 4.442 1.00 0.00 C ATOM 234 CG ASP A 16 -4.400 -10.123 5.425 1.00 0.00 C ATOM 235 OD1 ASP A 16 -3.475 -9.984 6.213 1.00 0.00 O ATOM 236 OD2 ASP A 16 -5.468 -9.275 5.340 1.00 0.00 O ATOM 0 H ASP A 16 -2.162 -12.877 3.542 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.078 -10.965 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.506 -11.332 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.337 -12.221 5.002 1.00 0.00 H new ATOM 241 N ILE A 17 -2.421 -9.251 2.609 1.00 0.00 N ATOM 242 CA ILE A 17 -1.330 -8.287 2.512 1.00 0.00 C ATOM 243 C ILE A 17 -1.853 -6.876 2.369 1.00 0.00 C ATOM 244 O ILE A 17 -3.058 -6.620 2.244 1.00 0.00 O ATOM 245 CB ILE A 17 -0.336 -8.668 1.338 1.00 0.00 C ATOM 246 CG1 ILE A 17 -0.203 -7.589 0.216 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.693 -10.028 0.659 1.00 0.00 C ATOM 248 CD1 ILE A 17 0.542 -8.038 -1.058 1.00 0.00 C ATOM 0 H ILE A 17 -3.218 -9.035 2.010 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.765 -8.326 3.443 1.00 0.00 H new ATOM 0 HB ILE A 17 0.623 -8.743 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.203 -7.260 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.312 -6.722 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.022 -10.236 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.653 -10.826 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.697 -9.972 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.576 -7.213 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.558 -8.336 -0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.019 -8.882 -1.507 1.00 0.00 H new ATOM 260 N ASN A 18 -0.928 -5.925 2.409 1.00 0.00 N ATOM 261 CA ASN A 18 -1.278 -4.508 2.432 1.00 0.00 C ATOM 262 C ASN A 18 -0.724 -3.745 1.244 1.00 0.00 C ATOM 263 O ASN A 18 0.063 -4.231 0.420 1.00 0.00 O ATOM 264 CB ASN A 18 -0.761 -3.879 3.762 1.00 0.00 C ATOM 265 CG ASN A 18 -1.636 -4.075 5.004 1.00 0.00 C ATOM 266 OD1 ASN A 18 -2.638 -3.262 5.202 1.00 0.00 O flip ATOM 267 ND2 ASN A 18 -1.428 -4.965 5.815 1.00 0.00 N flip ATOM 0 H ASN A 18 0.075 -6.109 2.426 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.364 -4.433 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.225 -4.292 3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.631 -2.808 3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.650 -5.610 5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.033 -5.063 6.630 1.00 0.00 H new ATOM 274 N LEU A 19 -1.125 -2.489 1.152 1.00 0.00 N ATOM 275 CA LEU A 19 -0.656 -1.526 0.159 1.00 0.00 C ATOM 276 C LEU A 19 -0.171 -0.272 0.851 1.00 0.00 C ATOM 277 O LEU A 19 -0.940 0.362 1.613 1.00 0.00 O ATOM 278 CB LEU A 19 -1.783 -1.205 -0.864 1.00 0.00 C ATOM 279 CG LEU A 19 -1.877 -2.078 -2.144 1.00 0.00 C ATOM 280 CD1 LEU A 19 -2.997 -1.620 -3.094 1.00 0.00 C ATOM 281 CD2 LEU A 19 -0.534 -2.072 -2.887 1.00 0.00 C ATOM 0 H LEU A 19 -1.814 -2.092 1.791 1.00 0.00 H new ATOM 0 HA LEU A 19 0.178 -1.959 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.737 -1.274 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.665 -0.167 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.120 -3.090 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.016 -2.266 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.956 -1.677 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.813 -0.592 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.611 -2.688 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.279 -1.051 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.243 -2.474 -2.237 1.00 0.00 H new ATOM 293 N ASP A 20 1.056 0.149 0.624 1.00 0.00 N ATOM 294 CA ASP A 20 1.644 1.246 1.394 1.00 0.00 C ATOM 295 C ASP A 20 1.463 2.574 0.696 1.00 0.00 C ATOM 296 O ASP A 20 0.671 2.741 -0.240 1.00 0.00 O ATOM 297 CB ASP A 20 3.132 0.929 1.700 1.00 0.00 C ATOM 298 CG ASP A 20 3.481 -0.537 1.999 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.485 -1.192 2.668 1.00 0.00 O ATOM 300 OD2 ASP A 20 4.548 -1.045 1.688 1.00 0.00 O ATOM 0 H ASP A 20 1.672 -0.246 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 20 1.118 1.336 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.730 1.254 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.439 1.532 2.554 1.00 0.00 H new ATOM 305 N ILE A 21 2.235 3.554 1.139 1.00 0.00 N ATOM 306 CA ILE A 21 2.081 4.940 0.707 1.00 0.00 C ATOM 307 C ILE A 21 3.303 5.749 1.074 1.00 0.00 C ATOM 308 O ILE A 21 4.073 5.381 1.979 1.00 0.00 O ATOM 309 CB ILE A 21 0.736 5.553 1.287 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.083 6.690 0.434 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.905 6.086 2.744 1.00 0.00 C ATOM 312 CD1 ILE A 21 0.274 8.124 0.969 1.00 0.00 C ATOM 0 H ILE A 21 2.990 3.413 1.811 1.00 0.00 H new ATOM 0 HA ILE A 21 2.000 4.973 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 21 0.061 4.697 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.492 6.642 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.986 6.491 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.043 6.495 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.211 5.269 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.665 6.867 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.219 8.830 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.162 8.202 1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.338 8.355 1.020 1.00 0.00 H new ATOM 324 N PRO A 22 3.517 6.850 0.380 1.00 0.00 N ATOM 325 CA PRO A 22 4.698 7.808 0.533 1.00 0.00 C ATOM 326 C PRO A 22 5.085 8.130 1.957 1.00 0.00 C ATOM 327 O PRO A 22 4.368 7.842 2.927 1.00 0.00 O ATOM 328 CB PRO A 22 4.272 9.102 -0.152 1.00 0.00 C ATOM 329 CG PRO A 22 3.448 8.545 -1.324 1.00 0.00 C ATOM 330 CD PRO A 22 2.659 7.388 -0.703 1.00 0.00 C ATOM 0 HA PRO A 22 5.575 7.328 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.680 9.742 0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.124 9.692 -0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.784 9.302 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.089 8.201 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.703 7.733 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.440 6.621 -1.446 1.00 0.00 H new ATOM 338 N SER A 23 6.228 8.777 2.112 1.00 0.00 N ATOM 339 CA SER A 23 6.800 9.036 3.430 1.00 0.00 C ATOM 340 C SER A 23 6.324 10.351 4.002 1.00 0.00 C ATOM 341 O SER A 23 7.046 11.024 4.764 1.00 0.00 O ATOM 342 CB SER A 23 8.348 8.975 3.376 1.00 0.00 C ATOM 343 OG SER A 23 8.838 8.362 2.179 1.00 0.00 O ATOM 0 H SER A 23 6.785 9.137 1.337 1.00 0.00 H new ATOM 0 HA SER A 23 6.450 8.252 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.750 9.985 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.715 8.420 4.239 1.00 0.00 H new ATOM 0 HG SER A 23 9.818 8.351 2.195 1.00 0.00 H new ATOM 349 N PHE A 24 5.108 10.748 3.682 1.00 0.00 N ATOM 350 CA PHE A 24 4.484 11.924 4.285 1.00 0.00 C ATOM 351 C PHE A 24 3.710 11.545 5.525 1.00 0.00 C ATOM 352 O PHE A 24 3.454 10.360 5.801 1.00 0.00 O ATOM 353 CB PHE A 24 3.513 12.589 3.264 1.00 0.00 C ATOM 354 CG PHE A 24 3.312 14.107 3.384 1.00 0.00 C ATOM 355 CD1 PHE A 24 4.156 14.996 2.713 1.00 0.00 C ATOM 356 CD2 PHE A 24 2.232 14.606 4.122 1.00 0.00 C ATOM 357 CE1 PHE A 24 3.921 16.367 2.779 1.00 0.00 C ATOM 358 CE2 PHE A 24 1.996 15.975 4.183 1.00 0.00 C ATOM 359 CZ PHE A 24 2.842 16.856 3.513 1.00 0.00 C ATOM 0 H PHE A 24 4.520 10.270 2.999 1.00 0.00 H new ATOM 0 HA PHE A 24 5.273 12.624 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.877 12.373 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.539 12.109 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.992 14.619 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.579 13.924 4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.576 17.052 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.158 16.355 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.661 17.920 3.562 1.00 0.00 H new ATOM 369 N GLN A 25 3.298 12.536 6.293 1.00 0.00 N ATOM 370 CA GLN A 25 2.440 12.316 7.457 1.00 0.00 C ATOM 371 C GLN A 25 1.202 13.183 7.391 1.00 0.00 C ATOM 372 O GLN A 25 0.987 14.095 8.202 1.00 0.00 O ATOM 373 CB GLN A 25 3.246 12.604 8.741 1.00 0.00 C ATOM 374 CG GLN A 25 4.170 13.866 8.706 1.00 0.00 C ATOM 375 CD GLN A 25 4.611 14.505 10.029 1.00 0.00 C ATOM 376 OE1 GLN A 25 5.030 15.650 10.069 1.00 0.00 O ATOM 377 NE2 GLN A 25 4.543 13.816 11.140 1.00 0.00 N ATOM 0 H GLN A 25 3.543 13.513 6.135 1.00 0.00 H new ATOM 0 HA GLN A 25 2.108 11.278 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.545 12.715 9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.863 11.733 8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.071 13.598 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.657 14.633 8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.195 12.857 11.125 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.838 14.238 12.021 1.00 0.00 H new ATOM 386 N MET A 26 0.363 12.899 6.412 1.00 0.00 N ATOM 387 CA MET A 26 -0.865 13.633 6.174 1.00 0.00 C ATOM 388 C MET A 26 -1.740 13.655 7.399 1.00 0.00 C ATOM 389 O MET A 26 -2.015 12.606 8.015 1.00 0.00 O ATOM 390 CB MET A 26 -1.697 13.059 5.022 1.00 0.00 C ATOM 391 CG MET A 26 -1.950 11.519 5.093 1.00 0.00 C ATOM 392 SD MET A 26 -2.287 10.851 3.459 1.00 0.00 S ATOM 393 CE MET A 26 -3.854 10.041 3.821 1.00 0.00 C ATOM 0 H MET A 26 0.519 12.139 5.749 1.00 0.00 H new ATOM 0 HA MET A 26 -0.542 14.640 5.911 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.660 13.569 5.000 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.194 13.286 4.082 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.079 11.022 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.791 11.314 5.755 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.564 10.247 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.698 8.965 3.899 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.250 10.420 4.763 1.00 0.00 H new ATOM 403 N SER A 27 -2.229 14.820 7.777 1.00 0.00 N ATOM 404 CA SER A 27 -3.003 14.966 9.010 1.00 0.00 C ATOM 405 C SER A 27 -4.354 15.579 8.710 1.00 0.00 C ATOM 406 O SER A 27 -5.139 15.002 7.921 1.00 0.00 O ATOM 407 CB SER A 27 -2.185 15.754 10.066 1.00 0.00 C ATOM 408 OG SER A 27 -0.957 15.102 10.409 1.00 0.00 O ATOM 0 H SER A 27 -2.108 15.686 7.251 1.00 0.00 H new ATOM 0 HA SER A 27 -3.201 13.986 9.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.968 16.751 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.787 15.883 10.965 1.00 0.00 H new ATOM 0 HG SER A 27 -0.463 14.883 9.591 1.00 0.00 H new ATOM 414 N ASP A 28 -4.687 16.721 9.276 1.00 0.00 N ATOM 415 CA ASP A 28 -6.024 17.301 9.126 1.00 0.00 C ATOM 416 C ASP A 28 -6.184 18.060 7.828 1.00 0.00 C ATOM 417 O ASP A 28 -7.192 18.786 7.645 1.00 0.00 O ATOM 418 CB ASP A 28 -6.342 18.200 10.351 1.00 0.00 C ATOM 419 CG ASP A 28 -5.366 19.353 10.627 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.364 19.228 11.315 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.727 20.514 10.002 1.00 0.00 O ATOM 0 H ASP A 28 -4.052 17.276 9.850 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.743 16.483 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.338 18.621 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.382 17.567 11.237 1.00 0.00 H new ATOM 426 N ASP A 29 -5.264 17.935 6.891 1.00 0.00 N ATOM 427 CA ASP A 29 -5.378 18.621 5.598 1.00 0.00 C ATOM 428 C ASP A 29 -6.039 17.768 4.536 1.00 0.00 C ATOM 429 O ASP A 29 -6.689 18.266 3.607 1.00 0.00 O ATOM 430 CB ASP A 29 -3.980 19.115 5.143 1.00 0.00 C ATOM 431 CG ASP A 29 -3.284 20.143 6.046 1.00 0.00 C ATOM 432 OD1 ASP A 29 -4.165 20.951 6.708 1.00 0.00 O ATOM 433 OD2 ASP A 29 -2.068 20.219 6.155 1.00 0.00 O ATOM 0 H ASP A 29 -4.424 17.366 6.992 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.033 19.481 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.327 18.248 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.080 19.549 4.148 1.00 0.00 H new ATOM 438 N ILE A 30 -5.895 16.464 4.676 1.00 0.00 N ATOM 439 CA ILE A 30 -6.363 15.520 3.666 1.00 0.00 C ATOM 440 C ILE A 30 -7.789 15.097 3.934 1.00 0.00 C ATOM 441 O ILE A 30 -8.232 14.990 5.087 1.00 0.00 O ATOM 442 CB ILE A 30 -5.394 14.274 3.549 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.104 14.528 2.705 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.103 13.007 2.980 1.00 0.00 C ATOM 445 CD1 ILE A 30 -4.241 14.310 1.184 1.00 0.00 C ATOM 0 H ILE A 30 -5.454 16.026 5.485 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.350 16.029 2.702 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.094 14.103 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.776 15.553 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.315 13.874 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.389 12.185 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.928 12.726 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.489 13.223 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.286 14.515 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.533 13.278 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.001 14.983 0.787 1.00 0.00 H new ATOM 457 N ASP A 31 -8.536 14.870 2.867 1.00 0.00 N ATOM 458 CA ASP A 31 -9.943 14.493 2.980 1.00 0.00 C ATOM 459 C ASP A 31 -10.272 13.262 2.166 1.00 0.00 C ATOM 460 O ASP A 31 -11.059 12.399 2.613 1.00 0.00 O ATOM 461 CB ASP A 31 -10.847 15.693 2.590 1.00 0.00 C ATOM 462 CG ASP A 31 -12.033 15.988 3.520 1.00 0.00 C ATOM 463 OD1 ASP A 31 -13.091 15.147 3.314 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.014 16.870 4.367 1.00 0.00 O ATOM 0 H ASP A 31 -8.195 14.939 1.908 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.139 14.233 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.224 16.586 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.236 15.516 1.587 1.00 0.00 H new ATOM 469 N ASP A 32 -9.694 13.115 0.990 1.00 0.00 N ATOM 470 CA ASP A 32 -10.063 12.041 0.068 1.00 0.00 C ATOM 471 C ASP A 32 -8.911 11.091 -0.172 1.00 0.00 C ATOM 472 O ASP A 32 -7.726 11.427 -0.039 1.00 0.00 O ATOM 473 CB ASP A 32 -10.600 12.642 -1.258 1.00 0.00 C ATOM 474 CG ASP A 32 -11.439 13.924 -1.140 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.154 13.983 0.024 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.461 14.789 -2.003 1.00 0.00 O ATOM 0 H ASP A 32 -8.958 13.729 0.641 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.859 11.453 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.750 12.850 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.204 11.884 -1.756 1.00 0.00 H new ATOM 481 N ILE A 33 -9.252 9.873 -0.558 1.00 0.00 N ATOM 482 CA ILE A 33 -8.285 8.800 -0.762 1.00 0.00 C ATOM 483 C ILE A 33 -8.768 7.848 -1.834 1.00 0.00 C ATOM 484 O ILE A 33 -9.943 7.424 -1.817 1.00 0.00 O ATOM 485 CB ILE A 33 -7.970 8.041 0.591 1.00 0.00 C ATOM 486 CG1 ILE A 33 -8.146 8.906 1.882 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.542 7.415 0.618 1.00 0.00 C ATOM 488 CD1 ILE A 33 -6.877 9.606 2.407 1.00 0.00 C ATOM 0 H ILE A 33 -10.216 9.595 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.350 9.245 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.724 7.254 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.901 9.667 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.537 8.266 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.385 6.909 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.444 6.696 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.797 8.202 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.120 10.176 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.121 8.858 2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.491 10.280 1.643 1.00 0.00 H new ATOM 500 N LYS A 34 -7.926 7.501 -2.788 1.00 0.00 N ATOM 501 CA LYS A 34 -8.342 6.638 -3.895 1.00 0.00 C ATOM 502 C LYS A 34 -7.267 5.642 -4.276 1.00 0.00 C ATOM 503 O LYS A 34 -6.069 5.941 -4.367 1.00 0.00 O ATOM 504 CB LYS A 34 -8.735 7.513 -5.117 1.00 0.00 C ATOM 505 CG LYS A 34 -10.038 8.324 -4.905 1.00 0.00 C ATOM 506 CD LYS A 34 -9.912 9.829 -5.157 1.00 0.00 C ATOM 507 CE LYS A 34 -11.280 10.493 -4.949 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.177 11.933 -5.242 1.00 0.00 N ATOM 0 H LYS A 34 -6.951 7.798 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.206 6.061 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.920 8.202 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.854 6.871 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.808 7.924 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.382 8.170 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.177 10.263 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.557 10.011 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.023 10.031 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.617 10.343 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.399 12.478 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.210 12.156 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.850 12.183 -5.995 1.00 0.00 H new ATOM 522 N TRP A 35 -7.692 4.408 -4.484 1.00 0.00 N ATOM 523 CA TRP A 35 -6.851 3.339 -5.015 1.00 0.00 C ATOM 524 C TRP A 35 -7.567 2.634 -6.149 1.00 0.00 C ATOM 525 O TRP A 35 -8.712 2.177 -5.996 1.00 0.00 O ATOM 526 CB TRP A 35 -6.517 2.307 -3.905 1.00 0.00 C ATOM 527 CG TRP A 35 -5.370 2.660 -2.955 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.478 3.408 -1.765 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.055 2.247 -3.028 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.251 3.455 -1.071 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.389 2.722 -1.870 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.350 1.514 -4.020 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.037 2.380 -1.644 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.017 1.185 -3.769 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.356 1.653 -2.623 1.00 0.00 C ATOM 0 H TRP A 35 -8.648 4.111 -4.286 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.925 3.781 -5.382 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.415 2.148 -3.308 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.280 1.357 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.386 3.885 -1.427 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.046 3.920 -0.187 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.831 1.220 -4.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.540 2.675 -0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.485 0.559 -4.470 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.303 1.448 -2.496 1.00 0.00 H new ATOM 546 N GLU A 36 -6.934 2.552 -7.303 1.00 0.00 N ATOM 547 CA GLU A 36 -7.560 1.954 -8.481 1.00 0.00 C ATOM 548 C GLU A 36 -6.751 0.783 -8.983 1.00 0.00 C ATOM 549 O GLU A 36 -5.543 0.660 -8.703 1.00 0.00 O ATOM 550 CB GLU A 36 -7.702 3.052 -9.572 1.00 0.00 C ATOM 551 CG GLU A 36 -9.076 3.155 -10.311 1.00 0.00 C ATOM 552 CD GLU A 36 -9.735 4.532 -10.429 1.00 0.00 C ATOM 553 OE1 GLU A 36 -9.505 5.449 -9.652 1.00 0.00 O ATOM 554 OE2 GLU A 36 -10.598 4.639 -11.478 1.00 0.00 O ATOM 0 H GLU A 36 -5.984 2.891 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.547 1.570 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.495 4.017 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.928 2.885 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.941 2.763 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.777 2.493 -9.803 1.00 0.00 H new ATOM 561 N LYS A 37 -7.385 -0.083 -9.750 1.00 0.00 N ATOM 562 CA LYS A 37 -6.675 -1.174 -10.416 1.00 0.00 C ATOM 563 C LYS A 37 -6.083 -0.671 -11.713 1.00 0.00 C ATOM 564 O LYS A 37 -6.772 -0.570 -12.736 1.00 0.00 O ATOM 565 CB LYS A 37 -7.632 -2.372 -10.660 1.00 0.00 C ATOM 566 CG LYS A 37 -7.006 -3.485 -11.538 1.00 0.00 C ATOM 567 CD LYS A 37 -7.723 -4.837 -11.482 1.00 0.00 C ATOM 568 CE LYS A 37 -9.215 -4.630 -11.778 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.807 -5.905 -12.220 1.00 0.00 N ATOM 0 H LYS A 37 -8.388 -0.058 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.864 -1.525 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.924 -2.797 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.542 -2.010 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.989 -3.143 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.970 -3.628 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.288 -5.523 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.594 -5.290 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.727 -4.268 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.342 -3.870 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.026 -5.852 -13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.132 -6.678 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.681 -6.086 -11.686 1.00 0.00 H new ATOM 583 N THR A 38 -4.814 -0.319 -11.666 1.00 0.00 N ATOM 584 CA THR A 38 -4.116 0.363 -12.753 1.00 0.00 C ATOM 585 C THR A 38 -4.567 -0.079 -14.129 1.00 0.00 C ATOM 586 O THR A 38 -4.769 0.734 -15.043 1.00 0.00 O ATOM 587 CB THR A 38 -2.567 0.153 -12.613 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.281 -1.220 -12.387 1.00 0.00 O ATOM 589 CG2 THR A 38 -1.874 0.894 -11.449 1.00 0.00 C ATOM 0 H THR A 38 -4.221 -0.500 -10.856 1.00 0.00 H new ATOM 0 HA THR A 38 -4.366 1.420 -12.664 1.00 0.00 H new ATOM 0 HB THR A 38 -2.183 0.555 -13.551 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.450 -1.729 -13.207 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.807 0.669 -11.458 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.020 1.968 -11.564 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.305 0.568 -10.502 1.00 0.00 H new ATOM 597 N SER A 39 -4.754 -1.376 -14.292 1.00 0.00 N ATOM 598 CA SER A 39 -5.046 -1.970 -15.594 1.00 0.00 C ATOM 599 C SER A 39 -6.368 -1.499 -16.153 1.00 0.00 C ATOM 600 O SER A 39 -6.424 -0.739 -17.138 1.00 0.00 O ATOM 601 CB SER A 39 -4.993 -3.519 -15.512 1.00 0.00 C ATOM 602 OG SER A 39 -4.801 -4.136 -16.789 1.00 0.00 O ATOM 0 H SER A 39 -4.709 -2.051 -13.529 1.00 0.00 H new ATOM 0 HA SER A 39 -4.274 -1.633 -16.286 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.183 -3.815 -14.845 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.920 -3.887 -15.072 1.00 0.00 H new ATOM 0 HG SER A 39 -4.773 -5.110 -16.681 1.00 0.00 H new ATOM 608 N ASP A 40 -7.463 -1.945 -15.567 1.00 0.00 N ATOM 609 CA ASP A 40 -8.793 -1.695 -16.123 1.00 0.00 C ATOM 610 C ASP A 40 -9.511 -0.549 -15.448 1.00 0.00 C ATOM 611 O ASP A 40 -10.755 -0.432 -15.562 1.00 0.00 O ATOM 612 CB ASP A 40 -9.635 -3.001 -16.063 1.00 0.00 C ATOM 613 CG ASP A 40 -10.032 -3.633 -17.404 1.00 0.00 C ATOM 614 OD1 ASP A 40 -10.372 -2.976 -18.377 1.00 0.00 O ATOM 615 OD2 ASP A 40 -9.988 -5.000 -17.379 1.00 0.00 O ATOM 0 H ASP A 40 -7.464 -2.485 -14.702 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.664 -1.392 -17.162 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.074 -3.741 -15.492 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.547 -2.792 -15.503 1.00 0.00 H new ATOM 620 N LYS A 41 -8.807 0.330 -14.764 1.00 0.00 N ATOM 621 CA LYS A 41 -9.422 1.520 -14.171 1.00 0.00 C ATOM 622 C LYS A 41 -10.578 1.129 -13.281 1.00 0.00 C ATOM 623 O LYS A 41 -11.739 1.501 -13.503 1.00 0.00 O ATOM 624 CB LYS A 41 -9.883 2.479 -15.302 1.00 0.00 C ATOM 625 CG LYS A 41 -9.756 3.978 -14.928 1.00 0.00 C ATOM 626 CD LYS A 41 -8.931 4.817 -15.907 1.00 0.00 C ATOM 627 CE LYS A 41 -9.834 5.873 -16.558 1.00 0.00 C ATOM 628 NZ LYS A 41 -9.481 7.207 -16.039 1.00 0.00 N ATOM 0 H LYS A 41 -7.804 0.250 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.690 2.037 -13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.292 2.284 -16.197 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.921 2.261 -15.552 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.756 4.406 -14.858 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.306 4.054 -13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.106 5.300 -15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.492 4.177 -16.672 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.717 5.850 -17.641 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.880 5.653 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.092 7.924 -16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.614 7.225 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.487 7.415 -16.263 1.00 0.00 H new ATOM 642 N LYS A 42 -10.270 0.365 -12.244 1.00 0.00 N ATOM 643 CA LYS A 42 -11.297 -0.223 -11.388 1.00 0.00 C ATOM 644 C LYS A 42 -11.183 0.236 -9.952 1.00 0.00 C ATOM 645 O LYS A 42 -10.470 -0.343 -9.121 1.00 0.00 O ATOM 646 CB LYS A 42 -11.210 -1.774 -11.478 1.00 0.00 C ATOM 647 CG LYS A 42 -12.304 -2.394 -12.382 1.00 0.00 C ATOM 648 CD LYS A 42 -12.302 -3.925 -12.441 1.00 0.00 C ATOM 649 CE LYS A 42 -13.617 -4.407 -13.067 1.00 0.00 C ATOM 650 NZ LYS A 42 -13.588 -4.160 -14.519 1.00 0.00 N ATOM 0 H LYS A 42 -9.314 0.135 -11.972 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.270 0.116 -11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.229 -2.055 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.294 -2.195 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.279 -2.060 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.182 -2.006 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.455 -4.277 -13.029 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.189 -4.339 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.758 -5.470 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.460 -3.885 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.479 -4.486 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.473 -3.142 -14.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.792 -4.677 -14.943 1.00 0.00 H new ATOM 664 N LYS A 43 -11.935 1.275 -9.628 1.00 0.00 N ATOM 665 CA LYS A 43 -12.066 1.773 -8.262 1.00 0.00 C ATOM 666 C LYS A 43 -12.268 0.642 -7.278 1.00 0.00 C ATOM 667 O LYS A 43 -13.369 0.096 -7.121 1.00 0.00 O ATOM 668 CB LYS A 43 -13.250 2.778 -8.191 1.00 0.00 C ATOM 669 CG LYS A 43 -13.019 4.075 -9.006 1.00 0.00 C ATOM 670 CD LYS A 43 -14.182 5.071 -8.976 1.00 0.00 C ATOM 671 CE LYS A 43 -15.066 4.859 -10.212 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.354 4.272 -9.800 1.00 0.00 N ATOM 0 H LYS A 43 -12.478 1.804 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.142 2.281 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.153 2.288 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.428 3.042 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.125 4.571 -8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.818 3.805 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.769 4.934 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.801 6.092 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.233 5.809 -10.720 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.565 4.201 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.954 4.128 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.186 3.358 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.833 4.915 -9.138 1.00 0.00 H new ATOM 686 N ILE A 44 -11.192 0.260 -6.614 1.00 0.00 N ATOM 687 CA ILE A 44 -11.212 -0.828 -5.641 1.00 0.00 C ATOM 688 C ILE A 44 -11.468 -0.303 -4.248 1.00 0.00 C ATOM 689 O ILE A 44 -12.275 -0.843 -3.478 1.00 0.00 O ATOM 690 CB ILE A 44 -9.884 -1.686 -5.716 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.566 -0.859 -5.566 1.00 0.00 C ATOM 692 CG2 ILE A 44 -9.781 -2.528 -7.025 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.284 -1.677 -5.303 1.00 0.00 C ATOM 0 H ILE A 44 -10.276 0.693 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.038 -1.494 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.971 -2.345 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.421 -0.275 -6.475 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.696 -0.150 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.850 -3.095 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.625 -3.216 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.796 -1.862 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.433 -1.002 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.396 -2.241 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.117 -2.367 -6.130 1.00 0.00 H new ATOM 705 N ALA A 45 -10.778 0.767 -3.900 1.00 0.00 N ATOM 706 CA ALA A 45 -10.999 1.478 -2.644 1.00 0.00 C ATOM 707 C ALA A 45 -11.062 2.969 -2.883 1.00 0.00 C ATOM 708 O ALA A 45 -10.331 3.509 -3.740 1.00 0.00 O ATOM 709 CB ALA A 45 -9.876 1.075 -1.673 1.00 0.00 C ATOM 0 H ALA A 45 -10.044 1.173 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.958 1.207 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.014 1.591 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.906 -0.002 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.911 1.350 -2.099 1.00 0.00 H new ATOM 715 N GLN A 46 -11.929 3.666 -2.170 1.00 0.00 N ATOM 716 CA GLN A 46 -12.063 5.114 -2.351 1.00 0.00 C ATOM 717 C GLN A 46 -12.729 5.784 -1.169 1.00 0.00 C ATOM 718 O GLN A 46 -13.532 5.203 -0.426 1.00 0.00 O ATOM 719 CB GLN A 46 -12.865 5.370 -3.645 1.00 0.00 C ATOM 720 CG GLN A 46 -13.676 6.707 -3.701 1.00 0.00 C ATOM 721 CD GLN A 46 -14.703 6.913 -4.821 1.00 0.00 C ATOM 722 OE1 GLN A 46 -15.877 6.619 -4.663 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.324 7.403 -5.974 1.00 0.00 N ATOM 0 H GLN A 46 -12.548 3.265 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.067 5.549 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.172 5.354 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.559 4.542 -3.788 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.201 6.812 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.957 7.524 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.347 7.655 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.006 7.533 -6.722 1.00 0.00 H new ATOM 732 N PHE A 47 -12.416 7.059 -0.997 1.00 0.00 N ATOM 733 CA PHE A 47 -12.985 7.890 0.059 1.00 0.00 C ATOM 734 C PHE A 47 -13.332 9.264 -0.469 1.00 0.00 C ATOM 735 O PHE A 47 -12.531 10.209 -0.395 1.00 0.00 O ATOM 736 CB PHE A 47 -11.965 8.051 1.226 1.00 0.00 C ATOM 737 CG PHE A 47 -12.122 7.088 2.413 1.00 0.00 C ATOM 738 CD1 PHE A 47 -12.461 5.748 2.210 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.862 7.545 3.710 1.00 0.00 C ATOM 740 CE1 PHE A 47 -12.530 4.874 3.292 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.928 6.670 4.789 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.261 5.334 4.580 1.00 0.00 C ATOM 0 H PHE A 47 -11.752 7.554 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.889 7.399 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.961 7.931 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.036 9.071 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.670 5.390 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.609 8.582 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.792 3.838 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.721 7.026 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.311 4.653 5.417 1.00 0.00 H new ATOM 752 N ARG A 48 -14.517 9.389 -1.034 1.00 0.00 N ATOM 753 CA ARG A 48 -14.982 10.648 -1.612 1.00 0.00 C ATOM 754 C ARG A 48 -16.004 11.313 -0.721 1.00 0.00 C ATOM 755 O ARG A 48 -17.223 11.218 -0.953 1.00 0.00 O ATOM 756 CB ARG A 48 -15.567 10.368 -3.025 1.00 0.00 C ATOM 757 CG ARG A 48 -14.606 10.672 -4.205 1.00 0.00 C ATOM 758 CD ARG A 48 -15.345 10.817 -5.542 1.00 0.00 C ATOM 759 NE ARG A 48 -15.944 12.174 -5.601 1.00 0.00 N ATOM 760 CZ ARG A 48 -15.413 13.223 -6.215 1.00 0.00 C ATOM 761 NH1 ARG A 48 -14.274 13.208 -6.842 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.074 14.326 -6.185 1.00 0.00 N ATOM 0 H ARG A 48 -15.189 8.625 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.141 11.336 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.863 9.320 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.472 10.962 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.057 11.590 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.870 9.872 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.656 10.670 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.120 10.056 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.838 12.311 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.726 12.349 -6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.928 14.056 -7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.971 14.370 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.701 15.157 -6.645 1.00 0.00 H new ATOM 776 N LYS A 49 -15.545 11.976 0.323 1.00 0.00 N ATOM 777 CA LYS A 49 -16.441 12.550 1.326 1.00 0.00 C ATOM 778 C LYS A 49 -17.106 11.450 2.121 1.00 0.00 C ATOM 779 O LYS A 49 -17.290 10.315 1.658 1.00 0.00 O ATOM 780 CB LYS A 49 -17.493 13.466 0.642 1.00 0.00 C ATOM 781 CG LYS A 49 -16.975 14.208 -0.615 1.00 0.00 C ATOM 782 CD LYS A 49 -16.938 15.734 -0.494 1.00 0.00 C ATOM 783 CE LYS A 49 -18.370 16.283 -0.544 1.00 0.00 C ATOM 784 NZ LYS A 49 -18.342 17.743 -0.349 1.00 0.00 N ATOM 0 H LYS A 49 -14.554 12.134 0.505 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.860 13.161 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.356 12.862 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.841 14.203 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.970 13.852 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.606 13.941 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.458 16.024 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.345 16.160 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.830 16.042 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.978 15.813 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.312 18.116 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.919 17.962 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.775 18.183 -1.102 1.00 0.00 H new ATOM 798 N GLU A 50 -17.501 11.788 3.339 1.00 0.00 N ATOM 799 CA GLU A 50 -18.259 10.873 4.188 1.00 0.00 C ATOM 800 C GLU A 50 -19.749 10.962 3.941 1.00 0.00 C ATOM 801 O GLU A 50 -20.560 10.893 4.889 1.00 0.00 O ATOM 802 CB GLU A 50 -17.924 11.195 5.672 1.00 0.00 C ATOM 803 CG GLU A 50 -18.273 10.103 6.737 1.00 0.00 C ATOM 804 CD GLU A 50 -17.929 8.645 6.422 1.00 0.00 C ATOM 805 OE1 GLU A 50 -16.785 8.496 5.699 1.00 0.00 O ATOM 806 OE2 GLU A 50 -18.621 7.703 6.787 1.00 0.00 O ATOM 0 H GLU A 50 -17.309 12.694 3.766 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.972 9.849 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.856 11.404 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.446 12.112 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.768 10.371 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.344 10.157 6.930 1.00 0.00 H new ATOM 813 N LYS A 51 -20.165 11.092 2.698 1.00 0.00 N ATOM 814 CA LYS A 51 -21.586 11.030 2.310 1.00 0.00 C ATOM 815 C LYS A 51 -21.920 9.878 1.363 1.00 0.00 C ATOM 816 O LYS A 51 -23.079 9.587 1.051 1.00 0.00 O ATOM 817 CB LYS A 51 -21.957 12.372 1.623 1.00 0.00 C ATOM 818 CG LYS A 51 -23.332 12.943 2.043 1.00 0.00 C ATOM 819 CD LYS A 51 -23.372 14.464 2.220 1.00 0.00 C ATOM 820 CE LYS A 51 -24.022 14.801 3.568 1.00 0.00 C ATOM 821 NZ LYS A 51 -23.445 16.052 4.091 1.00 0.00 N ATOM 0 H LYS A 51 -19.533 11.245 1.912 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.162 10.856 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.186 13.108 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.951 12.227 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.071 12.660 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.633 12.475 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.363 14.873 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.936 14.921 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.100 14.907 3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.859 13.989 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.885 16.282 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.420 15.934 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.623 16.824 3.418 1.00 0.00 H new ATOM 835 N GLU A 52 -20.866 9.212 0.930 1.00 0.00 N ATOM 836 CA GLU A 52 -20.961 8.120 -0.031 1.00 0.00 C ATOM 837 C GLU A 52 -19.608 7.484 -0.258 1.00 0.00 C ATOM 838 O GLU A 52 -18.955 7.690 -1.292 1.00 0.00 O ATOM 839 CB GLU A 52 -21.553 8.679 -1.356 1.00 0.00 C ATOM 840 CG GLU A 52 -21.681 7.691 -2.562 1.00 0.00 C ATOM 841 CD GLU A 52 -20.774 7.906 -3.776 1.00 0.00 C ATOM 842 OE1 GLU A 52 -20.483 9.214 -4.018 1.00 0.00 O ATOM 843 OE2 GLU A 52 -20.353 6.985 -4.464 1.00 0.00 O ATOM 0 H GLU A 52 -19.913 9.412 1.234 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.617 7.341 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.545 9.077 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.935 9.519 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.501 6.684 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -22.714 7.722 -2.909 1.00 0.00 H new ATOM 850 N THR A 53 -19.163 6.697 0.704 1.00 0.00 N ATOM 851 CA THR A 53 -17.820 6.122 0.690 1.00 0.00 C ATOM 852 C THR A 53 -17.796 4.804 -0.047 1.00 0.00 C ATOM 853 O THR A 53 -18.838 4.244 -0.422 1.00 0.00 O ATOM 854 CB THR A 53 -17.288 5.944 2.153 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.932 6.859 3.031 1.00 0.00 O ATOM 856 CG2 THR A 53 -15.780 6.197 2.369 1.00 0.00 C ATOM 0 H THR A 53 -19.718 6.435 1.519 1.00 0.00 H new ATOM 0 HA THR A 53 -17.164 6.812 0.160 1.00 0.00 H new ATOM 0 HB THR A 53 -17.498 4.894 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.590 6.735 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.532 6.043 3.419 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.203 5.505 1.755 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.539 7.221 2.086 1.00 0.00 H new ATOM 864 N PHE A 54 -16.605 4.278 -0.272 1.00 0.00 N ATOM 865 CA PHE A 54 -16.449 3.003 -0.969 1.00 0.00 C ATOM 866 C PHE A 54 -15.493 2.091 -0.236 1.00 0.00 C ATOM 867 O PHE A 54 -14.263 2.222 -0.331 1.00 0.00 O ATOM 868 CB PHE A 54 -15.903 3.250 -2.408 1.00 0.00 C ATOM 869 CG PHE A 54 -15.852 2.033 -3.345 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.898 0.742 -2.808 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.697 2.200 -4.724 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.805 -0.368 -3.640 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.604 1.087 -5.556 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.663 -0.196 -5.015 1.00 0.00 C ATOM 0 H PHE A 54 -15.728 4.711 0.016 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.428 2.526 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.519 4.016 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.896 3.658 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.006 0.607 -1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.649 3.193 -5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.843 -1.363 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.486 1.218 -6.621 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.599 -1.058 -5.663 1.00 0.00 H new ATOM 884 N LYS A 55 -16.040 1.136 0.493 1.00 0.00 N ATOM 885 CA LYS A 55 -15.245 0.104 1.155 1.00 0.00 C ATOM 886 C LYS A 55 -16.119 -1.029 1.639 1.00 0.00 C ATOM 887 O LYS A 55 -16.078 -1.433 2.811 1.00 0.00 O ATOM 888 CB LYS A 55 -14.455 0.737 2.333 1.00 0.00 C ATOM 889 CG LYS A 55 -15.203 1.897 3.036 1.00 0.00 C ATOM 890 CD LYS A 55 -16.578 1.532 3.604 1.00 0.00 C ATOM 891 CE LYS A 55 -16.918 2.479 4.763 1.00 0.00 C ATOM 892 NZ LYS A 55 -16.578 1.829 6.041 1.00 0.00 N ATOM 0 H LYS A 55 -17.045 1.049 0.646 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.540 -0.314 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.233 -0.038 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.499 1.106 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.579 2.272 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.326 2.714 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.337 1.606 2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.578 0.499 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.365 3.413 4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.978 2.732 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.808 2.469 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.124 0.950 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.562 1.609 6.059 1.00 0.00 H new ATOM 906 N GLU A 56 -16.908 -1.585 0.739 1.00 0.00 N ATOM 907 CA GLU A 56 -17.912 -2.585 1.089 1.00 0.00 C ATOM 908 C GLU A 56 -17.309 -3.950 1.339 1.00 0.00 C ATOM 909 O GLU A 56 -18.055 -4.905 1.668 1.00 0.00 O ATOM 910 CB GLU A 56 -18.957 -2.645 -0.063 1.00 0.00 C ATOM 911 CG GLU A 56 -18.408 -2.770 -1.522 1.00 0.00 C ATOM 912 CD GLU A 56 -17.552 -3.988 -1.876 1.00 0.00 C ATOM 913 OE1 GLU A 56 -18.274 -5.056 -2.317 1.00 0.00 O ATOM 914 OE2 GLU A 56 -16.333 -3.999 -1.771 1.00 0.00 O ATOM 0 H GLU A 56 -16.875 -1.360 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.388 -2.292 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.616 -3.493 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.571 -1.746 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.261 -2.756 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.819 -1.878 -1.732 1.00 0.00 H new ATOM 921 N LYS A 57 -16.009 -4.125 1.200 1.00 0.00 N ATOM 922 CA LYS A 57 -15.374 -5.420 1.463 1.00 0.00 C ATOM 923 C LYS A 57 -13.918 -5.253 1.829 1.00 0.00 C ATOM 924 O LYS A 57 -13.228 -4.330 1.372 1.00 0.00 O ATOM 925 CB LYS A 57 -15.533 -6.334 0.218 1.00 0.00 C ATOM 926 CG LYS A 57 -15.839 -7.811 0.573 1.00 0.00 C ATOM 927 CD LYS A 57 -16.617 -8.583 -0.496 1.00 0.00 C ATOM 928 CE LYS A 57 -17.198 -9.860 0.125 1.00 0.00 C ATOM 929 NZ LYS A 57 -16.166 -10.911 0.142 1.00 0.00 N ATOM 0 H LYS A 57 -15.364 -3.391 0.907 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.868 -5.887 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.336 -5.945 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.618 -6.292 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.897 -8.327 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.406 -7.836 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.418 -7.963 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.961 -8.836 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.544 -9.659 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.063 -10.194 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.559 -11.777 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.856 -11.109 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.353 -10.590 0.706 1.00 0.00 H new ATOM 943 N ASP A 58 -13.415 -6.162 2.646 1.00 0.00 N ATOM 944 CA ASP A 58 -12.018 -6.112 3.080 1.00 0.00 C ATOM 945 C ASP A 58 -11.052 -6.533 1.994 1.00 0.00 C ATOM 946 O ASP A 58 -9.838 -6.269 2.077 1.00 0.00 O ATOM 947 CB ASP A 58 -11.828 -6.970 4.360 1.00 0.00 C ATOM 948 CG ASP A 58 -12.822 -6.744 5.506 1.00 0.00 C ATOM 949 OD1 ASP A 58 -12.851 -5.718 6.172 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.667 -7.802 5.695 1.00 0.00 O ATOM 0 H ASP A 58 -13.947 -6.945 3.025 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.785 -5.072 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.875 -8.021 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.824 -6.789 4.743 1.00 0.00 H new ATOM 955 N THR A 59 -11.546 -7.208 0.974 1.00 0.00 N ATOM 956 CA THR A 59 -10.709 -7.604 -0.157 1.00 0.00 C ATOM 957 C THR A 59 -9.960 -6.416 -0.709 1.00 0.00 C ATOM 958 O THR A 59 -8.911 -6.547 -1.356 1.00 0.00 O ATOM 959 CB THR A 59 -11.561 -8.276 -1.289 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.721 -8.679 -2.364 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.647 -7.399 -1.949 1.00 0.00 C ATOM 0 H THR A 59 -12.521 -7.497 0.899 1.00 0.00 H new ATOM 0 HA THR A 59 -9.989 -8.336 0.208 1.00 0.00 H new ATOM 0 HB THR A 59 -12.054 -9.092 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.264 -9.098 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.166 -7.977 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.362 -7.074 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.181 -6.526 -2.407 1.00 0.00 H new ATOM 969 N TYR A 60 -10.522 -5.237 -0.522 1.00 0.00 N ATOM 970 CA TYR A 60 -9.829 -3.990 -0.841 1.00 0.00 C ATOM 971 C TYR A 60 -10.303 -2.872 0.060 1.00 0.00 C ATOM 972 O TYR A 60 -11.342 -2.235 -0.194 1.00 0.00 O ATOM 973 CB TYR A 60 -10.085 -3.571 -2.318 1.00 0.00 C ATOM 974 CG TYR A 60 -9.280 -4.338 -3.379 1.00 0.00 C ATOM 975 CD1 TYR A 60 -7.944 -4.004 -3.616 1.00 0.00 C ATOM 976 CD2 TYR A 60 -9.872 -5.379 -4.100 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.203 -4.711 -4.561 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.127 -6.087 -5.040 1.00 0.00 C ATOM 979 CZ TYR A 60 -7.795 -5.753 -5.268 1.00 0.00 C ATOM 980 OH TYR A 60 -7.074 -6.449 -6.197 1.00 0.00 O ATOM 0 H TYR A 60 -11.463 -5.110 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.764 -4.164 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.146 -3.697 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.863 -2.509 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.485 -3.196 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.907 -5.634 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.171 -4.451 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.583 -6.895 -5.592 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.170 -6.075 -6.257 1.00 0.00 H new ATOM 990 N LYS A 61 -9.581 -2.614 1.134 1.00 0.00 N ATOM 991 CA LYS A 61 -10.006 -1.670 2.169 1.00 0.00 C ATOM 992 C LYS A 61 -9.076 -0.483 2.258 1.00 0.00 C ATOM 993 O LYS A 61 -7.857 -0.618 2.442 1.00 0.00 O ATOM 994 CB LYS A 61 -10.091 -2.421 3.528 1.00 0.00 C ATOM 995 CG LYS A 61 -9.727 -1.597 4.787 1.00 0.00 C ATOM 996 CD LYS A 61 -10.882 -0.790 5.388 1.00 0.00 C ATOM 997 CE LYS A 61 -10.772 -0.814 6.918 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.430 0.533 7.409 1.00 0.00 N ATOM 0 H LYS A 61 -8.679 -3.051 1.321 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.988 -1.275 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.106 -2.799 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.431 -3.287 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.343 -2.276 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.918 -0.912 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.851 0.237 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.837 -1.210 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.714 -1.143 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.010 -1.529 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.679 0.461 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.097 1.117 6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.272 0.972 7.833 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.631 0.712 2.162 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.852 1.944 2.263 1.00 0.00 C ATOM 1014 C LEU A 62 -8.699 2.377 3.702 1.00 0.00 C ATOM 1015 O LEU A 62 -9.632 2.278 4.516 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.507 3.069 1.412 1.00 0.00 C ATOM 1017 CG LEU A 62 -8.652 4.313 1.049 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -7.162 3.944 1.036 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.045 4.928 -0.305 1.00 0.00 C ATOM 0 H LEU A 62 -10.629 0.861 2.013 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.854 1.749 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.854 2.621 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.391 3.418 1.947 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.844 5.064 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.572 4.824 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.868 3.584 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.987 3.162 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.415 5.794 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.909 4.188 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.089 5.238 -0.274 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.530 2.886 4.047 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.262 3.373 5.399 1.00 0.00 C ATOM 1033 C PHE A 63 -7.074 4.872 5.414 1.00 0.00 C ATOM 1034 O PHE A 63 -7.044 5.541 4.370 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.973 2.703 5.964 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.007 1.175 6.118 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -7.194 0.515 6.445 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.823 0.441 5.988 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -7.201 -0.867 6.613 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.832 -0.940 6.149 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.024 -1.596 6.451 1.00 0.00 C ATOM 0 H PHE A 63 -6.741 2.976 3.407 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.122 3.116 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.140 2.962 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.761 3.140 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.108 1.078 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.898 0.950 5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.119 -1.375 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.917 -1.503 6.040 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.036 -2.670 6.560 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.955 5.432 6.605 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.811 6.878 6.762 1.00 0.00 C ATOM 1053 C LYS A 64 -5.406 7.324 6.437 1.00 0.00 C ATOM 1054 O LYS A 64 -5.182 8.370 5.806 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.203 7.287 8.209 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.305 6.656 9.302 1.00 0.00 C ATOM 1057 CD LYS A 64 -6.872 6.726 10.723 1.00 0.00 C ATOM 1058 CE LYS A 64 -7.116 8.193 11.102 1.00 0.00 C ATOM 1059 NZ LYS A 64 -8.043 8.257 12.246 1.00 0.00 N ATOM 0 H LYS A 64 -6.955 4.911 7.482 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.480 7.375 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.156 8.373 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.238 6.998 8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.129 5.611 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.336 7.155 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.804 6.164 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.177 6.268 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.173 8.676 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.532 8.735 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.209 9.251 12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.946 7.811 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.629 7.754 13.057 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.426 6.543 6.856 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.026 6.847 6.573 1.00 0.00 C ATOM 1075 C ASN A 65 -2.693 6.655 5.110 1.00 0.00 C ATOM 1076 O ASN A 65 -1.555 6.955 4.680 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.113 5.954 7.463 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.312 4.437 7.379 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -3.192 3.931 6.698 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.472 3.633 8.066 1.00 0.00 N ATOM 0 H ASN A 65 -4.570 5.690 7.396 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.850 7.897 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.076 6.172 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.256 6.255 8.501 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.577 2.620 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.732 4.039 8.639 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.611 6.159 4.304 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.405 6.075 2.857 1.00 0.00 C ATOM 1088 C GLY A 66 -2.924 4.712 2.421 1.00 0.00 C ATOM 1089 O GLY A 66 -2.377 4.556 1.306 1.00 0.00 O ATOM 0 H GLY A 66 -4.513 5.805 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.339 6.308 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.678 6.828 2.552 1.00 0.00 H new ATOM 1093 N THR A 67 -3.073 3.696 3.250 1.00 0.00 N ATOM 1094 CA THR A 67 -2.762 2.323 2.852 1.00 0.00 C ATOM 1095 C THR A 67 -3.974 1.645 2.260 1.00 0.00 C ATOM 1096 O THR A 67 -5.111 2.134 2.363 1.00 0.00 O ATOM 1097 CB THR A 67 -2.212 1.511 4.073 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.816 1.732 4.228 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.354 -0.024 3.998 1.00 0.00 C ATOM 0 H THR A 67 -3.409 3.790 4.209 1.00 0.00 H new ATOM 0 HA THR A 67 -1.989 2.357 2.084 1.00 0.00 H new ATOM 0 HB THR A 67 -2.827 1.877 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.487 1.219 4.996 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.937 -0.472 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.408 -0.288 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.817 -0.397 3.126 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.767 0.495 1.645 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.870 -0.319 1.139 1.00 0.00 C ATOM 1109 C LEU A 68 -4.675 -1.775 1.491 1.00 0.00 C ATOM 1110 O LEU A 68 -3.614 -2.369 1.245 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.024 -0.139 -0.398 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.086 -1.004 -1.130 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.490 -0.438 -0.880 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.830 -1.107 -2.643 1.00 0.00 C ATOM 0 H LEU A 68 -2.842 0.097 1.481 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.788 0.022 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.256 0.908 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.056 -0.340 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.010 -2.011 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.227 -1.052 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.700 -0.444 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.542 0.584 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.603 -1.723 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.851 -0.111 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.854 -1.560 -2.817 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.698 -2.397 2.048 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.584 -3.762 2.556 1.00 0.00 C ATOM 1128 C LYS A 69 -6.323 -4.732 1.665 1.00 0.00 C ATOM 1129 O LYS A 69 -7.522 -4.578 1.387 1.00 0.00 O ATOM 1130 CB LYS A 69 -6.124 -3.819 4.011 1.00 0.00 C ATOM 1131 CG LYS A 69 -5.431 -4.895 4.884 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.341 -6.038 5.340 1.00 0.00 C ATOM 1133 CE LYS A 69 -6.857 -5.741 6.754 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.847 -6.161 7.742 1.00 0.00 N ATOM 0 H LYS A 69 -6.622 -1.981 2.163 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.534 -4.055 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.992 -2.843 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.195 -4.018 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.597 -5.316 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.010 -4.411 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.178 -6.149 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.793 -6.980 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.066 -4.676 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.795 -6.269 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.195 -5.960 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.669 -7.181 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.963 -5.638 7.578 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.624 -5.759 1.221 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.170 -6.710 0.252 1.00 0.00 C ATOM 1150 C ILE A 70 -6.143 -8.109 0.825 1.00 0.00 C ATOM 1151 O ILE A 70 -5.090 -8.711 1.073 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.429 -6.603 -1.144 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -6.291 -6.963 -2.402 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -4.127 -7.463 -1.202 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -5.484 -7.279 -3.685 1.00 0.00 C ATOM 0 H ILE A 70 -4.669 -5.963 1.514 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.212 -6.458 0.058 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.198 -5.539 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.913 -7.825 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.965 -6.132 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.661 -7.352 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.435 -7.127 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.376 -8.511 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.171 -7.516 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.882 -6.412 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.830 -8.132 -3.503 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.328 -8.646 1.074 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.471 -9.919 1.773 1.00 0.00 C ATOM 1169 C LYS A 71 -7.644 -11.076 0.814 1.00 0.00 C ATOM 1170 O LYS A 71 -8.216 -10.957 -0.277 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.676 -9.832 2.752 1.00 0.00 C ATOM 1172 CG LYS A 71 -9.876 -10.719 2.338 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.837 -11.073 3.476 1.00 0.00 C ATOM 1174 CE LYS A 71 -11.849 -12.114 2.978 1.00 0.00 C ATOM 1175 NZ LYS A 71 -12.764 -11.483 2.010 1.00 0.00 N ATOM 0 H LYS A 71 -8.212 -8.218 0.801 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.555 -10.108 2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.346 -10.124 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.006 -8.795 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.435 -10.206 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.494 -11.643 1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.282 -11.467 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.357 -10.179 3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.328 -12.950 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.413 -12.519 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.567 -12.118 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.116 -10.585 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.256 -11.300 1.121 1.00 0.00 H new ATOM 1189 N HIS A 72 -7.161 -12.234 1.235 1.00 0.00 N ATOM 1190 CA HIS A 72 -7.293 -13.473 0.476 1.00 0.00 C ATOM 1191 C HIS A 72 -6.864 -13.282 -0.959 1.00 0.00 C ATOM 1192 O HIS A 72 -7.712 -13.100 -1.861 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.782 -13.860 0.540 1.00 0.00 C ATOM 1194 CG HIS A 72 -9.066 -15.158 -0.157 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -9.910 -15.328 -1.251 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -8.497 -16.361 0.237 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -9.783 -16.655 -1.436 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.963 -17.344 -0.597 1.00 0.00 N ATOM 0 H HIS A 72 -6.663 -12.344 2.118 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.656 -14.252 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.090 -13.936 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.380 -13.069 0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.808 -16.499 1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.317 -17.159 -2.228 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -8.749 -18.341 -0.590 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.575 -13.317 -1.234 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.059 -13.003 -2.569 1.00 0.00 C ATOM 1209 C LEU A 73 -4.048 -14.014 -3.068 1.00 0.00 C ATOM 1210 O LEU A 73 -2.864 -14.040 -2.709 1.00 0.00 O ATOM 1211 CB LEU A 73 -4.430 -11.580 -2.575 1.00 0.00 C ATOM 1212 CG LEU A 73 -3.097 -11.335 -1.820 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -2.917 -12.229 -0.582 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -1.892 -11.506 -2.762 1.00 0.00 C ATOM 0 H LEU A 73 -4.856 -13.560 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.909 -13.042 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.274 -11.295 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.170 -10.893 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.146 -10.306 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.963 -12.002 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.728 -12.043 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.932 -13.276 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.970 -11.329 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.885 -12.519 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.966 -10.791 -3.581 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.529 -14.899 -3.932 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.694 -15.846 -4.659 1.00 0.00 C ATOM 1228 C LYS A 74 -3.292 -15.293 -6.012 1.00 0.00 C ATOM 1229 O LYS A 74 -3.280 -14.065 -6.217 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.442 -17.207 -4.780 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.833 -17.249 -4.089 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.530 -18.612 -4.152 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.161 -19.435 -2.911 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.044 -20.856 -3.285 1.00 0.00 N ATOM 0 H LYS A 74 -5.522 -14.980 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.769 -16.012 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.569 -17.443 -5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.815 -17.989 -4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.715 -16.963 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.478 -16.503 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.610 -18.477 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.231 -19.143 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.220 -19.079 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.921 -19.312 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.794 -21.416 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.952 -21.190 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.304 -20.965 -4.007 1.00 0.00 H new ATOM 1248 N THR A 75 -2.911 -16.160 -6.930 1.00 0.00 N ATOM 1249 CA THR A 75 -2.468 -15.711 -8.256 1.00 0.00 C ATOM 1250 C THR A 75 -3.447 -14.742 -8.882 1.00 0.00 C ATOM 1251 O THR A 75 -3.093 -13.852 -9.667 1.00 0.00 O ATOM 1252 CB THR A 75 -2.245 -16.936 -9.207 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.136 -17.712 -8.771 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.931 -16.609 -10.683 1.00 0.00 C ATOM 0 H THR A 75 -2.895 -17.171 -6.795 1.00 0.00 H new ATOM 0 HA THR A 75 -1.522 -15.187 -8.118 1.00 0.00 H new ATOM 0 HB THR A 75 -3.206 -17.448 -9.159 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.012 -18.474 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.797 -17.536 -11.241 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.757 -16.042 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.017 -16.017 -10.738 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.710 -14.901 -8.513 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.787 -14.135 -9.136 1.00 0.00 C ATOM 1264 C ASP A 76 -5.922 -12.751 -8.542 1.00 0.00 C ATOM 1265 O ASP A 76 -6.312 -11.791 -9.239 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.118 -14.929 -9.057 1.00 0.00 C ATOM 1267 CG ASP A 76 -8.021 -14.674 -7.843 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -7.344 -14.713 -6.656 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -9.226 -14.480 -7.938 1.00 0.00 O ATOM 0 H ASP A 76 -5.016 -15.550 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.534 -13.989 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.694 -14.712 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.878 -15.992 -9.081 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.636 -12.596 -7.263 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.686 -11.285 -6.617 1.00 0.00 C ATOM 1276 C ASP A 77 -4.519 -10.413 -7.016 1.00 0.00 C ATOM 1277 O ASP A 77 -4.589 -9.167 -6.883 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.783 -11.447 -5.077 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.205 -11.573 -4.504 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -7.951 -12.502 -4.779 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.525 -10.559 -3.646 1.00 0.00 O ATOM 0 H ASP A 77 -5.365 -13.360 -6.644 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.584 -10.774 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.216 -12.331 -4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.298 -10.590 -4.609 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.443 -10.985 -7.522 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.238 -10.208 -7.825 1.00 0.00 C ATOM 1288 C GLN A 78 -2.474 -9.279 -8.994 1.00 0.00 C ATOM 1289 O GLN A 78 -2.487 -9.683 -10.165 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.076 -11.183 -8.114 1.00 0.00 C ATOM 1291 CG GLN A 78 0.246 -10.541 -8.653 1.00 0.00 C ATOM 1292 CD GLN A 78 0.918 -11.144 -9.893 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.498 -10.438 -10.702 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.887 -12.437 -10.089 1.00 0.00 N ATOM 0 H GLN A 78 -3.370 -11.980 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.981 -9.586 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.845 -11.723 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.420 -11.920 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.038 -9.493 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.975 -10.560 -7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.407 -13.042 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.343 -12.840 -10.908 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.651 -8.006 -8.687 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.931 -6.986 -9.693 1.00 0.00 C ATOM 1305 C ASP A 79 -2.074 -5.762 -9.473 1.00 0.00 C ATOM 1306 O ASP A 79 -1.510 -5.546 -8.387 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.443 -6.639 -9.699 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.382 -7.662 -10.353 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.181 -7.782 -11.700 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.231 -8.283 -9.729 1.00 0.00 O ATOM 0 H ASP A 79 -2.605 -7.646 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.676 -7.383 -10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.763 -6.494 -8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.571 -5.684 -10.209 1.00 0.00 H new ATOM 1315 N ILE A 80 -1.968 -4.925 -10.488 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.240 -3.664 -10.372 1.00 0.00 C ATOM 1317 C ILE A 80 -2.161 -2.561 -9.899 1.00 0.00 C ATOM 1318 O ILE A 80 -3.366 -2.546 -10.192 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.488 -3.308 -11.720 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.538 -4.381 -12.212 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.257 -1.937 -11.650 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.400 -5.802 -11.629 1.00 0.00 C ATOM 0 H ILE A 80 -2.377 -5.092 -11.408 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.464 -3.775 -9.614 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.305 -3.267 -12.441 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.460 -4.451 -13.297 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.541 -4.019 -11.987 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.754 -1.744 -12.601 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.461 -1.142 -11.449 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.999 -1.966 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.171 -6.446 -12.053 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.514 -5.763 -10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.583 -6.203 -11.876 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.620 -1.626 -9.139 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.399 -0.597 -8.457 1.00 0.00 C ATOM 1336 C TYR A 81 -1.729 0.754 -8.544 1.00 0.00 C ATOM 1337 O TYR A 81 -0.560 0.885 -8.934 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.566 -0.963 -6.947 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.092 -2.380 -6.683 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.148 -2.899 -7.438 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.500 -3.161 -5.689 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -4.591 -4.201 -7.211 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -2.950 -4.458 -5.459 1.00 0.00 C ATOM 1344 CZ TYR A 81 -3.988 -4.978 -6.226 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.417 -6.257 -6.013 1.00 0.00 O ATOM 0 H TYR A 81 -0.616 -1.555 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.370 -0.547 -8.950 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.602 -0.850 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.246 -0.246 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.620 -2.292 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.691 -2.758 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.401 -4.607 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.494 -5.060 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.697 -6.779 -5.601 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.483 1.785 -8.205 1.00 0.00 N ATOM 1356 CA LYS A 82 -1.942 3.137 -8.103 1.00 0.00 C ATOM 1357 C LYS A 82 -2.761 3.971 -7.148 1.00 0.00 C ATOM 1358 O LYS A 82 -3.998 4.047 -7.244 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.905 3.782 -9.516 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.358 5.231 -9.524 1.00 0.00 C ATOM 1361 CD LYS A 82 -1.776 6.066 -10.738 1.00 0.00 C ATOM 1362 CE LYS A 82 -1.879 5.153 -11.967 1.00 0.00 C ATOM 1363 NZ LYS A 82 -1.995 5.978 -13.183 1.00 0.00 N ATOM 0 H LYS A 82 -3.478 1.715 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.927 3.090 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.288 3.166 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.912 3.781 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.694 5.737 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.269 5.194 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.734 6.551 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.048 6.857 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.000 4.512 -12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.745 4.498 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.065 5.360 -14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.847 6.572 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.155 6.585 -13.272 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.097 4.613 -6.202 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.795 5.333 -5.139 1.00 0.00 C ATOM 1379 C VAL A 83 -2.802 6.822 -5.397 1.00 0.00 C ATOM 1380 O VAL A 83 -1.763 7.487 -5.506 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.137 5.013 -3.737 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.643 5.404 -3.566 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.869 5.667 -2.540 1.00 0.00 C ATOM 0 H VAL A 83 -1.079 4.653 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.831 4.995 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.227 3.927 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.309 5.134 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.041 4.874 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.529 6.479 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.360 5.402 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.865 6.750 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.898 5.309 -2.503 1.00 0.00 H new ATOM 1393 N SER A 84 -3.997 7.380 -5.478 1.00 0.00 N ATOM 1394 CA SER A 84 -4.208 8.820 -5.583 1.00 0.00 C ATOM 1395 C SER A 84 -4.972 9.331 -4.383 1.00 0.00 C ATOM 1396 O SER A 84 -6.146 8.996 -4.170 1.00 0.00 O ATOM 1397 CB SER A 84 -4.919 9.178 -6.912 1.00 0.00 C ATOM 1398 OG SER A 84 -6.273 8.714 -6.962 1.00 0.00 O ATOM 0 H SER A 84 -4.863 6.841 -5.473 1.00 0.00 H new ATOM 0 HA SER A 84 -3.237 9.315 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.906 10.260 -7.045 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.362 8.747 -7.744 1.00 0.00 H new ATOM 0 HG SER A 84 -6.872 9.471 -7.129 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.313 10.131 -3.566 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.895 10.575 -2.296 1.00 0.00 C ATOM 1406 C ILE A 85 -4.957 12.086 -2.258 1.00 0.00 C ATOM 1407 O ILE A 85 -3.924 12.779 -2.341 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.132 9.933 -1.067 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.499 8.526 -1.355 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.028 9.828 0.208 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.056 8.531 -1.898 1.00 0.00 C ATOM 0 H ILE A 85 -3.376 10.490 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.922 10.219 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.315 10.632 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.517 7.946 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.134 8.004 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.455 9.381 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.359 10.824 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.897 9.206 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.724 7.505 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.024 9.075 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.398 9.016 -1.177 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.145 12.643 -2.138 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.395 14.065 -2.353 1.00 0.00 C ATOM 1425 C TYR A 86 -6.841 14.773 -1.094 1.00 0.00 C ATOM 1426 O TYR A 86 -7.297 14.170 -0.113 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.512 14.246 -3.429 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.461 13.356 -4.680 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.686 12.193 -4.710 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.213 13.706 -5.811 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.667 11.386 -5.842 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.197 12.893 -6.942 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.428 11.734 -6.955 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.415 10.939 -8.066 1.00 0.00 O ATOM 0 H TYR A 86 -6.981 12.117 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.452 14.503 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.474 14.083 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.493 15.285 -3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.097 11.919 -3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.806 14.608 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.063 10.491 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.782 13.163 -7.809 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.001 11.324 -8.751 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.696 16.091 -1.100 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.108 16.939 0.014 1.00 0.00 C ATOM 1446 C ASP A 87 -8.536 17.409 -0.150 1.00 0.00 C ATOM 1447 O ASP A 87 -9.262 17.024 -1.077 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.128 18.133 0.171 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.865 18.980 -1.083 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.506 18.858 -2.117 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.848 19.878 -0.913 1.00 0.00 O ATOM 0 H ASP A 87 -6.288 16.606 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.071 16.347 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.514 18.790 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.173 17.745 0.526 1.00 0.00 H new ATOM 1456 N THR A 88 -8.965 18.246 0.781 1.00 0.00 N ATOM 1457 CA THR A 88 -10.342 18.724 0.830 1.00 0.00 C ATOM 1458 C THR A 88 -10.729 19.460 -0.432 1.00 0.00 C ATOM 1459 O THR A 88 -11.914 19.482 -0.824 1.00 0.00 O ATOM 1460 CB THR A 88 -10.563 19.643 2.081 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.475 21.013 1.710 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.554 19.494 3.242 1.00 0.00 C ATOM 0 H THR A 88 -8.371 18.614 1.524 1.00 0.00 H new ATOM 0 HA THR A 88 -10.985 17.848 0.913 1.00 0.00 H new ATOM 0 HB THR A 88 -11.543 19.321 2.433 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.617 21.576 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.818 20.184 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.582 18.472 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.550 19.721 2.883 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.778 20.093 -1.093 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.081 20.957 -2.235 1.00 0.00 C ATOM 1472 C LYS A 89 -9.980 20.228 -3.555 1.00 0.00 C ATOM 1473 O LYS A 89 -9.731 20.847 -4.612 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.126 22.184 -2.209 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.365 23.120 -0.997 1.00 0.00 C ATOM 1476 CD LYS A 89 -9.187 24.613 -1.287 1.00 0.00 C ATOM 1477 CE LYS A 89 -9.447 25.412 -0.002 1.00 0.00 C ATOM 1478 NZ LYS A 89 -10.861 25.826 0.040 1.00 0.00 N ATOM 0 H LYS A 89 -8.786 20.030 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.116 21.288 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.094 21.833 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.252 22.754 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.376 22.956 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.680 22.836 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.178 24.807 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.876 24.928 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.208 24.805 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.799 26.288 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.039 26.367 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.074 26.420 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.470 24.983 0.026 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.168 18.922 -3.562 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.244 18.153 -4.799 1.00 0.00 C ATOM 1494 C GLY A 90 -8.921 18.046 -5.518 1.00 0.00 C ATOM 1495 O GLY A 90 -8.868 17.619 -6.692 1.00 0.00 O ATOM 0 H GLY A 90 -10.273 18.362 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.609 17.151 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.974 18.617 -5.463 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.832 18.435 -4.885 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.521 18.435 -5.530 1.00 0.00 C ATOM 1501 C LYS A 91 -5.799 17.126 -5.319 1.00 0.00 C ATOM 1502 O LYS A 91 -5.725 16.617 -4.181 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.672 19.610 -4.961 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.561 20.820 -5.919 1.00 0.00 C ATOM 1505 CD LYS A 91 -4.130 21.266 -6.236 1.00 0.00 C ATOM 1506 CE LYS A 91 -3.758 22.451 -5.335 1.00 0.00 C ATOM 1507 NZ LYS A 91 -2.719 22.031 -4.378 1.00 0.00 N ATOM 0 H LYS A 91 -7.823 18.758 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.664 18.563 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.112 19.942 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.670 19.245 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.063 20.571 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.099 21.661 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.436 20.441 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.050 21.552 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.396 23.282 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.639 22.806 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.466 22.833 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.081 21.251 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.876 21.712 -4.898 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.229 16.559 -6.365 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.367 15.381 -6.213 1.00 0.00 C ATOM 1523 C ASN A 92 -3.040 15.801 -5.610 1.00 0.00 C ATOM 1524 O ASN A 92 -2.053 16.141 -6.276 1.00 0.00 O ATOM 1525 CB ASN A 92 -4.211 14.661 -7.584 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.073 15.044 -8.533 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.009 14.439 -8.553 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -3.251 16.032 -9.366 1.00 0.00 N ATOM 0 H ASN A 92 -5.340 16.884 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.819 14.662 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.115 13.595 -7.379 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.145 14.798 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.510 16.288 -10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.131 16.548 -9.364 1.00 0.00 H new ATOM 1535 N VAL A 93 -3.010 15.813 -4.283 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.869 16.338 -3.533 1.00 0.00 C ATOM 1537 C VAL A 93 -0.662 15.425 -3.609 1.00 0.00 C ATOM 1538 O VAL A 93 0.498 15.859 -3.596 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.290 16.572 -2.028 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.515 17.498 -1.792 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.608 15.268 -1.257 1.00 0.00 C ATOM 0 H VAL A 93 -3.768 15.463 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.578 17.285 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.390 17.060 -1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.707 17.582 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.308 18.486 -2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.390 17.076 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.889 15.511 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.432 14.748 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.727 14.626 -1.250 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.941 14.137 -3.710 1.00 0.00 N ATOM 1552 CA LEU A 94 0.104 13.124 -3.801 1.00 0.00 C ATOM 1553 C LEU A 94 -0.387 11.912 -4.557 1.00 0.00 C ATOM 1554 O LEU A 94 -1.590 11.623 -4.633 1.00 0.00 O ATOM 1555 CB LEU A 94 0.617 12.742 -2.382 1.00 0.00 C ATOM 1556 CG LEU A 94 1.699 11.634 -2.255 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.055 12.168 -2.738 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.836 11.103 -0.818 1.00 0.00 C ATOM 0 H LEU A 94 -1.890 13.763 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 94 0.943 13.540 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.013 13.646 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.245 12.432 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 94 1.378 10.801 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.808 11.385 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.975 12.473 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.346 13.025 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.605 10.331 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.115 11.920 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.885 10.680 -0.494 1.00 0.00 H new ATOM 1570 N GLU A 95 0.555 11.169 -5.113 1.00 0.00 N ATOM 1571 CA GLU A 95 0.239 10.054 -6.000 1.00 0.00 C ATOM 1572 C GLU A 95 1.407 9.102 -6.108 1.00 0.00 C ATOM 1573 O GLU A 95 2.580 9.491 -5.996 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.146 10.630 -7.392 1.00 0.00 C ATOM 1575 CG GLU A 95 -1.016 9.731 -8.332 1.00 0.00 C ATOM 1576 CD GLU A 95 -0.594 9.591 -9.797 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.754 9.503 -9.972 1.00 0.00 O ATOM 1578 OE2 GLU A 95 -1.396 9.560 -10.721 1.00 0.00 O ATOM 0 H GLU A 95 1.553 11.317 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.598 9.485 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.681 11.566 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.775 10.876 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.049 8.731 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.034 10.120 -8.315 1.00 0.00 H new ATOM 1585 N LYS A 96 1.112 7.839 -6.354 1.00 0.00 N ATOM 1586 CA LYS A 96 2.129 6.791 -6.361 1.00 0.00 C ATOM 1587 C LYS A 96 1.673 5.604 -7.177 1.00 0.00 C ATOM 1588 O LYS A 96 0.475 5.400 -7.422 1.00 0.00 O ATOM 1589 CB LYS A 96 2.454 6.367 -4.902 1.00 0.00 C ATOM 1590 CG LYS A 96 3.406 7.339 -4.162 1.00 0.00 C ATOM 1591 CD LYS A 96 4.749 7.582 -4.855 1.00 0.00 C ATOM 1592 CE LYS A 96 5.854 7.683 -3.794 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.844 8.691 -4.211 1.00 0.00 N ATOM 0 H LYS A 96 0.169 7.507 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 96 3.035 7.182 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.523 6.289 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.903 5.374 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.899 8.296 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.596 6.948 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.967 6.769 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.708 8.499 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.424 7.957 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.338 6.715 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.593 8.760 -3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.262 8.411 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.377 9.615 -4.314 1.00 0.00 H new ATOM 1607 N ILE A 97 2.623 4.789 -7.592 1.00 0.00 N ATOM 1608 CA ILE A 97 2.338 3.589 -8.376 1.00 0.00 C ATOM 1609 C ILE A 97 2.694 2.344 -7.600 1.00 0.00 C ATOM 1610 O ILE A 97 3.700 2.296 -6.871 1.00 0.00 O ATOM 1611 CB ILE A 97 3.059 3.644 -9.785 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.877 4.991 -10.556 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.629 2.481 -10.732 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.550 5.072 -11.941 1.00 0.00 C ATOM 0 H ILE A 97 3.614 4.934 -7.399 1.00 0.00 H new ATOM 0 HA ILE A 97 1.266 3.551 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 97 4.112 3.542 -9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.810 5.174 -10.681 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.268 5.798 -9.936 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.156 2.572 -11.682 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.876 1.525 -10.270 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.554 2.533 -10.907 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.357 6.050 -12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.625 4.928 -11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.144 4.295 -12.589 1.00 0.00 H new ATOM 1626 N PHE A 98 1.876 1.315 -7.717 1.00 0.00 N ATOM 1627 CA PHE A 98 2.036 0.108 -6.909 1.00 0.00 C ATOM 1628 C PHE A 98 1.720 -1.135 -7.706 1.00 0.00 C ATOM 1629 O PHE A 98 1.340 -1.079 -8.885 1.00 0.00 O ATOM 1630 CB PHE A 98 1.082 0.170 -5.677 1.00 0.00 C ATOM 1631 CG PHE A 98 1.395 1.251 -4.631 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.270 2.607 -4.946 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.849 0.877 -3.361 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.589 3.576 -3.999 1.00 0.00 C ATOM 1635 CE2 PHE A 98 2.164 1.847 -2.415 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.045 3.197 -2.738 1.00 0.00 C ATOM 0 H PHE A 98 1.089 1.286 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 98 3.075 0.060 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.066 0.327 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.098 -0.801 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.925 2.903 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.955 -0.169 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.483 4.623 -4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.500 1.554 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.307 3.951 -2.010 1.00 0.00 H new ATOM 1646 N ASP A 99 1.870 -2.288 -7.075 1.00 0.00 N ATOM 1647 CA ASP A 99 1.522 -3.555 -7.717 1.00 0.00 C ATOM 1648 C ASP A 99 1.712 -4.729 -6.787 1.00 0.00 C ATOM 1649 O ASP A 99 2.836 -5.037 -6.350 1.00 0.00 O ATOM 1650 CB ASP A 99 2.340 -3.728 -9.025 1.00 0.00 C ATOM 1651 CG ASP A 99 3.759 -3.142 -9.033 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.695 -4.013 -8.548 1.00 0.00 O ATOM 1653 OD2 ASP A 99 4.016 -2.023 -9.450 1.00 0.00 O ATOM 0 H ASP A 99 2.228 -2.378 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 99 0.462 -3.528 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.411 -4.793 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.779 -3.272 -9.840 1.00 0.00 H new ATOM 1658 N LEU A 100 0.636 -5.426 -6.475 1.00 0.00 N ATOM 1659 CA LEU A 100 0.720 -6.673 -5.715 1.00 0.00 C ATOM 1660 C LEU A 100 1.617 -7.666 -6.414 1.00 0.00 C ATOM 1661 O LEU A 100 1.917 -7.533 -7.616 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.700 -7.264 -5.493 1.00 0.00 C ATOM 1663 CG LEU A 100 -1.015 -8.014 -4.171 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -1.497 -7.021 -3.104 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.069 -9.119 -4.361 1.00 0.00 C ATOM 0 H LEU A 100 -0.312 -5.154 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 100 1.158 -6.458 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.413 -6.444 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.900 -7.951 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.091 -8.492 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.715 -7.557 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.719 -6.280 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.399 -6.520 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.254 -9.613 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.996 -8.678 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.704 -9.849 -5.083 1.00 0.00 H new ATOM 1677 N LYS A 101 2.063 -8.686 -5.704 1.00 0.00 N ATOM 1678 CA LYS A 101 2.824 -9.773 -6.315 1.00 0.00 C ATOM 1679 C LYS A 101 2.632 -11.078 -5.574 1.00 0.00 C ATOM 1680 O LYS A 101 2.168 -11.133 -4.426 1.00 0.00 O ATOM 1681 CB LYS A 101 4.339 -9.412 -6.354 1.00 0.00 C ATOM 1682 CG LYS A 101 4.673 -8.168 -7.212 1.00 0.00 C ATOM 1683 CD LYS A 101 5.633 -8.428 -8.377 1.00 0.00 C ATOM 1684 CE LYS A 101 5.060 -7.801 -9.654 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.943 -8.113 -10.792 1.00 0.00 N ATOM 0 H LYS A 101 1.913 -8.789 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 101 2.451 -9.903 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.686 -9.241 -5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.895 -10.266 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.744 -7.759 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.107 -7.405 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.613 -8.004 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.773 -9.500 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.057 -8.184 -9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.971 -6.721 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.556 -7.688 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.892 -7.727 -10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.006 -9.144 -10.910 1.00 0.00 H new ATOM 1699 N ILE A 102 2.984 -12.162 -6.241 1.00 0.00 N ATOM 1700 CA ILE A 102 3.059 -13.480 -5.619 1.00 0.00 C ATOM 1701 C ILE A 102 4.482 -13.993 -5.678 1.00 0.00 C ATOM 1702 O ILE A 102 5.196 -13.835 -6.678 1.00 0.00 O ATOM 1703 CB ILE A 102 2.047 -14.524 -6.243 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.581 -14.003 -6.392 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.004 -15.868 -5.451 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.170 -13.726 -5.072 1.00 0.00 C ATOM 0 H ILE A 102 3.227 -12.158 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 102 2.757 -13.364 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 102 2.451 -14.687 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.600 -13.084 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.012 -14.735 -6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.293 -16.546 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.995 -16.322 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.694 -15.675 -4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.176 -13.369 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.231 -14.645 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.366 -12.968 -4.501 1.00 0.00 H new ATOM 1718 N GLN A 103 4.892 -14.652 -4.611 1.00 0.00 N ATOM 1719 CA GLN A 103 6.280 -15.065 -4.438 1.00 0.00 C ATOM 1720 C GLN A 103 6.366 -16.545 -4.148 1.00 0.00 C ATOM 1721 O GLN A 103 5.370 -17.195 -3.782 1.00 0.00 O ATOM 1722 CB GLN A 103 6.914 -14.226 -3.304 1.00 0.00 C ATOM 1723 CG GLN A 103 8.213 -14.810 -2.659 1.00 0.00 C ATOM 1724 CD GLN A 103 9.425 -13.893 -2.449 1.00 0.00 C ATOM 1725 OE1 GLN A 103 9.996 -13.377 -3.397 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.878 -13.673 -1.242 1.00 0.00 N ATOM 0 H GLN A 103 4.279 -14.917 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 103 6.834 -14.889 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.142 -13.235 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.170 -14.094 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.940 -15.220 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.538 -15.646 -3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.414 -14.096 -0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.695 -13.079 -1.105 1.00 0.00 H new