USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 957 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 9 HIS :FLIP no HE2:sc= -10.2! C(o=-11!,f=-8.9!) USER MOD Set 1.2: A 65 TYR OH : rot 52:sc= 1.3 USER MOD Single : A 2 SER OG : rot -29:sc= 0.469 USER MOD Single : A 6 TYR OH : rot -56:sc= -1.06 USER MOD Single : A 10 THR OG1 : rot -90:sc= -0.673 USER MOD Single : A 14 GLN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0168) USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= -1.44! (180deg=-4.28!) USER MOD Single : A 21 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0863 X(o=-0.086,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 0 (180deg=-1.04) USER MOD Single : A 37 GLN : amide:sc=-0.00684 X(o=-0.0068,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.368) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -8.29! C(o=-8.3!,f=-9.7!) USER MOD Single : A 70 MET CE :methyl 165:sc= -0.117 (180deg=-0.693) USER MOD Single : A 79 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.9) USER MOD Single : A 88 THR OG1 : rot 57:sc= -0.691 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 99 MET CE :methyl -162:sc=-0.00643 (180deg=-0.14) USER MOD Single : A 105 SER OG : rot 180:sc= -0.59 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -160:sc= -3.23! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -2.933 9.195 -11.689 1.00 0.00 N ATOM 2 CA SER A 2 -1.863 8.165 -11.612 1.00 0.00 C ATOM 3 C SER A 2 -1.120 8.243 -10.281 1.00 0.00 C ATOM 4 O SER A 2 -0.588 9.291 -9.916 1.00 0.00 O ATOM 5 CB SER A 2 -0.891 8.384 -12.773 1.00 0.00 C ATOM 6 OG SER A 2 -0.692 9.764 -13.020 1.00 0.00 O ATOM 0 HA SER A 2 -2.313 7.174 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.064 7.911 -12.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.279 7.903 -13.671 1.00 0.00 H new ATOM 0 HG SER A 2 -1.495 10.262 -12.761 1.00 0.00 H new ATOM 14 N ILE A 3 -1.089 7.126 -9.562 1.00 0.00 N ATOM 15 CA ILE A 3 -0.412 7.065 -8.274 1.00 0.00 C ATOM 16 C ILE A 3 0.459 5.814 -8.176 1.00 0.00 C ATOM 17 O ILE A 3 0.747 5.174 -9.187 1.00 0.00 O ATOM 18 CB ILE A 3 -1.425 7.101 -7.110 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.249 5.813 -7.062 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.336 8.312 -7.248 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.197 5.649 -8.231 1.00 0.00 C ATOM 0 H ILE A 3 -1.526 6.250 -9.851 1.00 0.00 H new ATOM 0 HA ILE A 3 0.230 7.943 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.872 7.181 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.571 4.960 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.823 5.794 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.047 8.328 -6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.737 9.222 -7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.878 8.254 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.746 4.713 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.900 6.482 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.629 5.634 -9.161 1.00 0.00 H new ATOM 33 N GLU A 4 0.893 5.472 -6.963 1.00 0.00 N ATOM 34 CA GLU A 4 1.743 4.299 -6.774 1.00 0.00 C ATOM 35 C GLU A 4 1.393 3.531 -5.501 1.00 0.00 C ATOM 36 O GLU A 4 0.984 4.114 -4.492 1.00 0.00 O ATOM 37 CB GLU A 4 3.215 4.721 -6.732 1.00 0.00 C ATOM 38 CG GLU A 4 3.869 4.782 -8.102 1.00 0.00 C ATOM 39 CD GLU A 4 5.378 4.903 -8.022 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.876 5.491 -7.039 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.064 4.410 -8.943 1.00 0.00 O ATOM 0 H GLU A 4 0.673 5.983 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 4 1.570 3.634 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.290 5.700 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.767 4.021 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.609 3.885 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.469 5.632 -8.654 1.00 0.00 H new ATOM 48 N TRP A 5 1.575 2.213 -5.561 1.00 0.00 N ATOM 49 CA TRP A 5 1.303 1.341 -4.425 1.00 0.00 C ATOM 50 C TRP A 5 2.571 1.140 -3.600 1.00 0.00 C ATOM 51 O TRP A 5 3.372 0.252 -3.887 1.00 0.00 O ATOM 52 CB TRP A 5 0.790 -0.020 -4.906 1.00 0.00 C ATOM 53 CG TRP A 5 -0.641 -0.011 -5.353 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.106 0.235 -6.613 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.794 -0.268 -4.545 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.475 0.144 -6.638 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.923 -0.161 -5.379 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.981 -0.578 -3.196 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.219 -0.355 -4.908 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.268 -0.770 -2.730 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.372 -0.657 -3.584 1.00 0.00 C ATOM 0 H TRP A 5 1.912 1.725 -6.391 1.00 0.00 H new ATOM 0 HA TRP A 5 0.539 1.813 -3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.415 -0.361 -5.731 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.903 -0.745 -4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.486 0.468 -7.466 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.063 0.281 -7.460 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.136 -0.666 -2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.072 -0.270 -5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.425 -1.011 -1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.365 -0.812 -3.188 1.00 0.00 H new ATOM 72 N TYR A 6 2.751 1.972 -2.580 1.00 0.00 N ATOM 73 CA TYR A 6 3.930 1.879 -1.727 1.00 0.00 C ATOM 74 C TYR A 6 3.775 0.769 -0.698 1.00 0.00 C ATOM 75 O TYR A 6 2.939 0.850 0.201 1.00 0.00 O ATOM 76 CB TYR A 6 4.188 3.216 -1.034 1.00 0.00 C ATOM 77 CG TYR A 6 4.966 4.185 -1.894 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.317 5.003 -2.809 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.349 4.272 -1.798 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.024 5.884 -3.604 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.064 5.148 -2.592 1.00 0.00 C ATOM 82 CZ TYR A 6 6.397 5.952 -3.492 1.00 0.00 C ATOM 83 OH TYR A 6 7.106 6.824 -4.286 1.00 0.00 O ATOM 0 H TYR A 6 2.100 2.714 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 6 4.786 1.637 -2.356 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.234 3.667 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.736 3.040 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.242 4.950 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.873 3.645 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.505 6.516 -4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.139 5.203 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 6 6.902 6.648 -5.228 1.00 0.00 H new ATOM 93 N ALA A 7 4.588 -0.274 -0.840 1.00 0.00 N ATOM 94 CA ALA A 7 4.542 -1.408 0.072 1.00 0.00 C ATOM 95 C ALA A 7 5.715 -1.384 1.045 1.00 0.00 C ATOM 96 O ALA A 7 6.820 -0.970 0.693 1.00 0.00 O ATOM 97 CB ALA A 7 4.530 -2.713 -0.710 1.00 0.00 C ATOM 0 H ALA A 7 5.286 -0.355 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 7 3.623 -1.335 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.496 -3.553 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.654 -2.741 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.432 -2.781 -1.318 1.00 0.00 H new ATOM 103 N VAL A 8 5.466 -1.830 2.271 1.00 0.00 N ATOM 104 CA VAL A 8 6.500 -1.863 3.300 1.00 0.00 C ATOM 105 C VAL A 8 6.425 -3.150 4.112 1.00 0.00 C ATOM 106 O VAL A 8 5.552 -3.989 3.886 1.00 0.00 O ATOM 107 CB VAL A 8 6.387 -0.658 4.253 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.982 0.585 3.611 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.939 -0.422 4.653 1.00 0.00 C ATOM 0 H VAL A 8 4.556 -2.174 2.577 1.00 0.00 H new ATOM 0 HA VAL A 8 7.459 -1.817 2.785 1.00 0.00 H new ATOM 0 HB VAL A 8 6.954 -0.880 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.894 1.427 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.034 0.410 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.446 0.811 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.882 0.433 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.343 -0.223 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.552 -1.307 5.158 1.00 0.00 H new ATOM 119 N HIS A 9 7.346 -3.302 5.056 1.00 0.00 N ATOM 120 CA HIS A 9 7.387 -4.489 5.899 1.00 0.00 C ATOM 121 C HIS A 9 6.935 -4.168 7.320 1.00 0.00 C ATOM 122 O HIS A 9 7.217 -3.091 7.845 1.00 0.00 O ATOM 123 CB HIS A 9 8.801 -5.073 5.919 1.00 0.00 C ATOM 124 CG HIS A 9 9.303 -5.463 4.565 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.365 -4.762 3.407 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.817 -6.711 4.282 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.909 -5.594 2.457 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.173 -6.762 3.011 1.00 0.00 N flip ATOM 0 H HIS A 9 8.075 -2.617 5.257 1.00 0.00 H new ATOM 0 HA HIS A 9 6.701 -5.225 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.482 -4.341 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.815 -5.948 6.569 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.064 -3.798 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.913 -7.521 4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.091 -5.334 1.425 1.00 0.00 H new ATOM 137 N THR A 10 6.232 -5.113 7.938 1.00 0.00 N ATOM 138 CA THR A 10 5.740 -4.935 9.299 1.00 0.00 C ATOM 139 C THR A 10 5.914 -6.215 10.108 1.00 0.00 C ATOM 140 O THR A 10 6.312 -7.250 9.574 1.00 0.00 O ATOM 141 CB THR A 10 4.266 -4.524 9.281 1.00 0.00 C ATOM 142 OG1 THR A 10 3.446 -5.611 8.888 1.00 0.00 O ATOM 143 CG2 THR A 10 3.978 -3.369 8.346 1.00 0.00 C ATOM 0 H THR A 10 5.991 -6.010 7.517 1.00 0.00 H new ATOM 0 HA THR A 10 6.323 -4.145 9.771 1.00 0.00 H new ATOM 0 HB THR A 10 4.042 -4.209 10.300 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.338 -5.604 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.915 -3.129 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.557 -2.499 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.253 -3.647 7.329 1.00 0.00 H new ATOM 151 N LEU A 11 5.611 -6.138 11.400 1.00 0.00 N ATOM 152 CA LEU A 11 5.733 -7.292 12.283 1.00 0.00 C ATOM 153 C LEU A 11 4.433 -8.089 12.316 1.00 0.00 C ATOM 154 O LEU A 11 3.343 -7.522 12.254 1.00 0.00 O ATOM 155 CB LEU A 11 6.114 -6.843 13.696 1.00 0.00 C ATOM 156 CG LEU A 11 7.433 -7.412 14.224 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.197 -6.357 15.009 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.176 -8.638 15.088 1.00 0.00 C ATOM 0 H LEU A 11 5.279 -5.289 11.858 1.00 0.00 H new ATOM 0 HA LEU A 11 6.521 -7.937 11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.174 -5.755 13.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.314 -7.128 14.379 1.00 0.00 H new ATOM 0 HG LEU A 11 8.043 -7.712 13.372 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.131 -6.782 15.376 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.414 -5.508 14.361 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.594 -6.024 15.854 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.125 -9.030 15.455 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.546 -8.362 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.673 -9.402 14.495 1.00 0.00 H new ATOM 170 N VAL A 12 4.556 -9.409 12.417 1.00 0.00 N ATOM 171 CA VAL A 12 3.391 -10.286 12.460 1.00 0.00 C ATOM 172 C VAL A 12 2.485 -9.936 13.636 1.00 0.00 C ATOM 173 O VAL A 12 2.896 -10.007 14.793 1.00 0.00 O ATOM 174 CB VAL A 12 3.803 -11.765 12.567 1.00 0.00 C ATOM 175 CG1 VAL A 12 4.539 -12.207 11.311 1.00 0.00 C ATOM 176 CG2 VAL A 12 4.659 -11.993 13.804 1.00 0.00 C ATOM 0 H VAL A 12 5.451 -9.895 12.471 1.00 0.00 H new ATOM 0 HA VAL A 12 2.848 -10.136 11.527 1.00 0.00 H new ATOM 0 HB VAL A 12 2.900 -12.369 12.662 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.822 -13.255 11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.888 -12.083 10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.435 -11.599 11.181 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.941 -13.044 13.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.558 -11.379 13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.093 -11.719 14.694 1.00 0.00 H new ATOM 186 N GLY A 13 1.248 -9.557 13.329 1.00 0.00 N ATOM 187 CA GLY A 13 0.301 -9.202 14.371 1.00 0.00 C ATOM 188 C GLY A 13 0.238 -7.706 14.612 1.00 0.00 C ATOM 189 O GLY A 13 -0.790 -7.182 15.042 1.00 0.00 O ATOM 0 H GLY A 13 0.885 -9.489 12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.690 -9.565 14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.579 -9.705 15.297 1.00 0.00 H new ATOM 193 N GLN A 14 1.340 -7.017 14.337 1.00 0.00 N ATOM 194 CA GLN A 14 1.406 -5.572 14.527 1.00 0.00 C ATOM 195 C GLN A 14 0.748 -4.839 13.362 1.00 0.00 C ATOM 196 O GLN A 14 0.203 -3.748 13.534 1.00 0.00 O ATOM 197 CB GLN A 14 2.862 -5.124 14.670 1.00 0.00 C ATOM 198 CG GLN A 14 3.041 -3.916 15.574 1.00 0.00 C ATOM 199 CD GLN A 14 4.287 -4.009 16.430 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.212 -4.010 17.659 1.00 0.00 O ATOM 201 NE2 GLN A 14 5.445 -4.088 15.784 1.00 0.00 N ATOM 0 H GLN A 14 2.200 -7.435 13.982 1.00 0.00 H new ATOM 0 HA GLN A 14 0.864 -5.324 15.440 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.451 -5.952 15.064 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.260 -4.891 13.683 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.090 -3.014 14.964 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.168 -3.817 16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.461 -4.084 14.764 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.318 -4.153 16.308 1.00 0.00 H new ATOM 210 N GLU A 15 0.801 -5.444 12.181 1.00 0.00 N ATOM 211 CA GLU A 15 0.210 -4.847 10.988 1.00 0.00 C ATOM 212 C GLU A 15 -1.288 -4.624 11.175 1.00 0.00 C ATOM 213 O GLU A 15 -1.830 -3.601 10.755 1.00 0.00 O ATOM 214 CB GLU A 15 0.456 -5.739 9.770 1.00 0.00 C ATOM 215 CG GLU A 15 0.364 -4.999 8.446 1.00 0.00 C ATOM 216 CD GLU A 15 -0.947 -5.252 7.727 1.00 0.00 C ATOM 217 OE1 GLU A 15 -1.956 -4.611 8.089 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.966 -6.091 6.802 1.00 0.00 O ATOM 0 H GLU A 15 1.247 -6.348 12.023 1.00 0.00 H new ATOM 0 HA GLU A 15 0.685 -3.880 10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.444 -6.192 9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.269 -6.552 9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.477 -3.929 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.191 -5.305 7.805 1.00 0.00 H new ATOM 225 N GLU A 16 -1.952 -5.588 11.806 1.00 0.00 N ATOM 226 CA GLU A 16 -3.390 -5.499 12.048 1.00 0.00 C ATOM 227 C GLU A 16 -3.746 -4.195 12.756 1.00 0.00 C ATOM 228 O GLU A 16 -4.728 -3.537 12.409 1.00 0.00 O ATOM 229 CB GLU A 16 -3.863 -6.691 12.881 1.00 0.00 C ATOM 230 CG GLU A 16 -4.406 -7.840 12.047 1.00 0.00 C ATOM 231 CD GLU A 16 -5.886 -7.698 11.753 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.318 -6.579 11.407 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.613 -8.706 11.869 1.00 0.00 O ATOM 0 H GLU A 16 -1.518 -6.441 12.159 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.896 -5.515 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.032 -7.053 13.486 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.637 -6.357 13.571 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.856 -7.894 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.232 -8.779 12.572 1.00 0.00 H new ATOM 240 N LYS A 17 -2.946 -3.827 13.750 1.00 0.00 N ATOM 241 CA LYS A 17 -3.179 -2.603 14.507 1.00 0.00 C ATOM 242 C LYS A 17 -2.516 -1.405 13.829 1.00 0.00 C ATOM 243 O LYS A 17 -2.946 -0.266 14.005 1.00 0.00 O ATOM 244 CB LYS A 17 -2.651 -2.751 15.935 1.00 0.00 C ATOM 245 CG LYS A 17 -3.387 -1.887 16.946 1.00 0.00 C ATOM 246 CD LYS A 17 -2.920 -2.172 18.366 1.00 0.00 C ATOM 247 CE LYS A 17 -4.029 -1.924 19.377 1.00 0.00 C ATOM 248 NZ LYS A 17 -4.506 -0.515 19.344 1.00 0.00 N ATOM 0 H LYS A 17 -2.130 -4.359 14.051 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.254 -2.429 14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.729 -3.796 16.236 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.592 -2.493 15.951 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.226 -0.835 16.713 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.459 -2.070 16.871 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.584 -3.206 18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.063 -1.541 18.602 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.864 -2.595 19.172 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.668 -2.161 20.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.200 -0.366 20.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.700 0.128 19.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.952 -0.321 18.425 1.00 0.00 H new ATOM 262 N ALA A 18 -1.469 -1.671 13.055 1.00 0.00 N ATOM 263 CA ALA A 18 -0.750 -0.615 12.353 1.00 0.00 C ATOM 264 C ALA A 18 -1.614 0.005 11.260 1.00 0.00 C ATOM 265 O ALA A 18 -1.479 1.187 10.942 1.00 0.00 O ATOM 266 CB ALA A 18 0.545 -1.158 11.766 1.00 0.00 C ATOM 0 H ALA A 18 -1.100 -2.609 12.898 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.508 0.167 13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.072 -0.359 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.174 -1.544 12.568 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.318 -1.961 11.064 1.00 0.00 H new ATOM 272 N LYS A 19 -2.502 -0.800 10.686 1.00 0.00 N ATOM 273 CA LYS A 19 -3.387 -0.330 9.628 1.00 0.00 C ATOM 274 C LYS A 19 -4.321 0.760 10.144 1.00 0.00 C ATOM 275 O LYS A 19 -4.438 1.827 9.540 1.00 0.00 O ATOM 276 CB LYS A 19 -4.207 -1.494 9.063 1.00 0.00 C ATOM 277 CG LYS A 19 -4.591 -1.314 7.602 1.00 0.00 C ATOM 278 CD LYS A 19 -6.096 -1.397 7.405 1.00 0.00 C ATOM 279 CE LYS A 19 -6.523 -0.752 6.097 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.650 -1.486 5.457 1.00 0.00 N ATOM 0 H LYS A 19 -2.627 -1.781 10.936 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.770 0.090 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.635 -2.416 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.114 -1.611 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.230 -0.349 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.102 -2.079 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.408 -2.441 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.601 -0.905 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.820 0.280 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.675 -0.722 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.368 -1.792 4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.892 -2.319 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.478 -0.860 5.389 1.00 0.00 H new ATOM 294 N ALA A 20 -4.983 0.486 11.262 1.00 0.00 N ATOM 295 CA ALA A 20 -5.905 1.443 11.860 1.00 0.00 C ATOM 296 C ALA A 20 -5.153 2.601 12.506 1.00 0.00 C ATOM 297 O ALA A 20 -5.557 3.759 12.388 1.00 0.00 O ATOM 298 CB ALA A 20 -6.792 0.751 12.884 1.00 0.00 C ATOM 0 H ALA A 20 -4.898 -0.393 11.773 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.532 1.850 11.067 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.476 1.477 13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.365 -0.038 12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.172 0.317 13.668 1.00 0.00 H new ATOM 304 N ASN A 21 -4.057 2.284 13.188 1.00 0.00 N ATOM 305 CA ASN A 21 -3.248 3.298 13.852 1.00 0.00 C ATOM 306 C ASN A 21 -2.728 4.322 12.848 1.00 0.00 C ATOM 307 O ASN A 21 -2.775 5.527 13.094 1.00 0.00 O ATOM 308 CB ASN A 21 -2.074 2.646 14.585 1.00 0.00 C ATOM 309 CG ASN A 21 -1.577 3.487 15.744 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.217 3.563 16.792 1.00 0.00 O ATOM 311 ND2 ASN A 21 -0.427 4.128 15.558 1.00 0.00 N ATOM 0 H ASN A 21 -3.709 1.331 13.295 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.879 3.812 14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.379 1.667 14.955 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.257 2.481 13.883 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.042 4.711 16.301 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.071 4.036 14.672 1.00 0.00 H new ATOM 318 N LEU A 22 -2.232 3.834 11.716 1.00 0.00 N ATOM 319 CA LEU A 22 -1.703 4.705 10.674 1.00 0.00 C ATOM 320 C LEU A 22 -2.821 5.513 10.023 1.00 0.00 C ATOM 321 O LEU A 22 -2.701 6.725 9.841 1.00 0.00 O ATOM 322 CB LEU A 22 -0.968 3.881 9.614 1.00 0.00 C ATOM 323 CG LEU A 22 -0.466 4.676 8.407 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.512 5.754 8.846 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.181 3.747 7.390 1.00 0.00 C ATOM 0 H LEU A 22 -2.185 2.839 11.497 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.000 5.398 11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.117 3.389 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.635 3.095 9.260 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.320 5.162 7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.858 6.309 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.016 6.436 9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.365 5.291 9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.533 4.329 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.024 3.233 7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.550 3.013 7.051 1.00 0.00 H new ATOM 337 N GLU A 23 -3.908 4.834 9.673 1.00 0.00 N ATOM 338 CA GLU A 23 -5.049 5.486 9.039 1.00 0.00 C ATOM 339 C GLU A 23 -5.600 6.609 9.915 1.00 0.00 C ATOM 340 O GLU A 23 -6.266 7.518 9.423 1.00 0.00 O ATOM 341 CB GLU A 23 -6.150 4.465 8.744 1.00 0.00 C ATOM 342 CG GLU A 23 -7.303 5.033 7.932 1.00 0.00 C ATOM 343 CD GLU A 23 -7.228 4.647 6.468 1.00 0.00 C ATOM 344 OE1 GLU A 23 -6.219 4.987 5.814 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.178 4.005 5.973 1.00 0.00 O ATOM 0 H GLU A 23 -4.023 3.831 9.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.706 5.922 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.718 3.622 8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.536 4.077 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.246 4.680 8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.303 6.120 8.018 1.00 0.00 H new ATOM 352 N LYS A 24 -5.315 6.545 11.211 1.00 0.00 N ATOM 353 CA LYS A 24 -5.780 7.565 12.140 1.00 0.00 C ATOM 354 C LYS A 24 -4.860 8.777 12.097 1.00 0.00 C ATOM 355 O LYS A 24 -5.318 9.918 12.018 1.00 0.00 O ATOM 356 CB LYS A 24 -5.851 7.003 13.562 1.00 0.00 C ATOM 357 CG LYS A 24 -7.210 7.181 14.222 1.00 0.00 C ATOM 358 CD LYS A 24 -7.075 7.447 15.713 1.00 0.00 C ATOM 359 CE LYS A 24 -7.287 8.918 16.040 1.00 0.00 C ATOM 360 NZ LYS A 24 -6.157 9.760 15.561 1.00 0.00 N ATOM 0 H LYS A 24 -4.766 5.800 11.640 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.781 7.875 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.606 5.941 13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.093 7.491 14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.739 8.009 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.812 6.286 14.064 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.801 6.844 16.258 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.086 7.137 16.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.215 9.262 15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.398 9.038 17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.339 10.755 15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.275 9.449 16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.067 9.665 14.529 1.00 0.00 H new ATOM 374 N ARG A 25 -3.557 8.521 12.133 1.00 0.00 N ATOM 375 CA ARG A 25 -2.569 9.589 12.080 1.00 0.00 C ATOM 376 C ARG A 25 -2.593 10.269 10.714 1.00 0.00 C ATOM 377 O ARG A 25 -2.182 11.421 10.576 1.00 0.00 O ATOM 378 CB ARG A 25 -1.171 9.037 12.363 1.00 0.00 C ATOM 379 CG ARG A 25 -0.932 8.709 13.828 1.00 0.00 C ATOM 380 CD ARG A 25 -0.229 9.850 14.547 1.00 0.00 C ATOM 381 NE ARG A 25 1.201 9.600 14.704 1.00 0.00 N ATOM 382 CZ ARG A 25 2.056 10.480 15.221 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.628 11.667 15.631 1.00 0.00 N ATOM 384 NH2 ARG A 25 3.341 10.171 15.329 1.00 0.00 N ATOM 0 H ARG A 25 -3.162 7.583 12.199 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.818 10.325 12.844 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.017 8.137 11.768 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.429 9.765 12.036 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.885 8.502 14.316 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.331 7.803 13.906 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.376 10.775 13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.682 9.994 15.528 1.00 0.00 H new ATOM 0 HE ARG A 25 1.567 8.698 14.400 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.640 11.909 15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.287 12.338 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.674 9.259 15.016 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.996 10.845 15.725 1.00 0.00 H new ATOM 398 N ILE A 26 -3.079 9.547 9.707 1.00 0.00 N ATOM 399 CA ILE A 26 -3.159 10.081 8.355 1.00 0.00 C ATOM 400 C ILE A 26 -4.244 11.153 8.252 1.00 0.00 C ATOM 401 O ILE A 26 -4.158 12.059 7.424 1.00 0.00 O ATOM 402 CB ILE A 26 -3.423 8.958 7.320 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.838 9.343 5.959 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.912 8.652 7.196 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.661 8.485 5.543 1.00 0.00 C ATOM 0 H ILE A 26 -3.422 8.592 9.804 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.195 10.537 8.129 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.929 8.053 7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.619 9.267 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.524 10.386 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.061 7.860 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.299 8.328 8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.442 9.549 6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.297 8.814 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.863 8.580 6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.975 7.443 5.480 1.00 0.00 H new ATOM 417 N LYS A 27 -5.264 11.040 9.099 1.00 0.00 N ATOM 418 CA LYS A 27 -6.362 11.999 9.102 1.00 0.00 C ATOM 419 C LYS A 27 -6.167 13.048 10.193 1.00 0.00 C ATOM 420 O LYS A 27 -6.570 14.200 10.039 1.00 0.00 O ATOM 421 CB LYS A 27 -7.695 11.275 9.309 1.00 0.00 C ATOM 422 CG LYS A 27 -8.855 11.908 8.556 1.00 0.00 C ATOM 423 CD LYS A 27 -10.164 11.190 8.845 1.00 0.00 C ATOM 424 CE LYS A 27 -10.138 9.759 8.331 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.396 9.030 8.654 1.00 0.00 N ATOM 0 H LYS A 27 -5.352 10.295 9.790 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.374 12.504 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.589 10.238 8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.929 11.259 10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.944 12.957 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.653 11.882 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.351 11.189 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.988 11.731 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.988 9.764 7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.290 9.232 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.338 8.059 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.527 9.003 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.203 9.519 8.216 1.00 0.00 H new ATOM 439 N ALA A 28 -5.543 12.640 11.293 1.00 0.00 N ATOM 440 CA ALA A 28 -5.293 13.543 12.409 1.00 0.00 C ATOM 441 C ALA A 28 -4.355 14.673 12.000 1.00 0.00 C ATOM 442 O ALA A 28 -4.515 15.815 12.434 1.00 0.00 O ATOM 443 CB ALA A 28 -4.715 12.776 13.589 1.00 0.00 C ATOM 0 H ALA A 28 -5.201 11.689 11.435 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.244 13.985 12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.533 13.463 14.416 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.421 12.008 13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.776 12.307 13.294 1.00 0.00 H new ATOM 449 N PHE A 29 -3.374 14.349 11.164 1.00 0.00 N ATOM 450 CA PHE A 29 -2.409 15.337 10.696 1.00 0.00 C ATOM 451 C PHE A 29 -2.967 16.131 9.520 1.00 0.00 C ATOM 452 O PHE A 29 -2.802 17.349 9.445 1.00 0.00 O ATOM 453 CB PHE A 29 -1.103 14.652 10.292 1.00 0.00 C ATOM 454 CG PHE A 29 -0.147 14.464 11.436 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.474 15.555 12.024 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.130 13.197 11.925 1.00 0.00 C ATOM 457 CE1 PHE A 29 1.352 15.386 13.077 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.008 13.021 12.978 1.00 0.00 C ATOM 459 CZ PHE A 29 1.619 14.117 13.554 1.00 0.00 C ATOM 0 H PHE A 29 -3.226 13.409 10.797 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.210 16.029 11.514 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.332 13.679 9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.617 15.243 9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.269 16.549 11.654 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.346 12.337 11.478 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.829 16.244 13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.216 12.028 13.349 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.305 13.982 14.377 1.00 0.00 H new ATOM 469 N GLY A 30 -3.630 15.433 8.602 1.00 0.00 N ATOM 470 CA GLY A 30 -4.204 16.093 7.442 1.00 0.00 C ATOM 471 C GLY A 30 -3.435 15.803 6.166 1.00 0.00 C ATOM 472 O GLY A 30 -2.670 16.640 5.690 1.00 0.00 O ATOM 0 H GLY A 30 -3.780 14.425 8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.238 15.771 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.224 17.169 7.613 1.00 0.00 H new ATOM 476 N LEU A 31 -3.644 14.613 5.609 1.00 0.00 N ATOM 477 CA LEU A 31 -2.970 14.216 4.377 1.00 0.00 C ATOM 478 C LEU A 31 -3.777 13.155 3.635 1.00 0.00 C ATOM 479 O LEU A 31 -3.220 12.319 2.919 1.00 0.00 O ATOM 480 CB LEU A 31 -1.565 13.690 4.681 1.00 0.00 C ATOM 481 CG LEU A 31 -1.454 12.827 5.938 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.393 11.753 5.755 1.00 0.00 C ATOM 483 CD2 LEU A 31 -1.136 13.689 7.150 1.00 0.00 C ATOM 0 H LEU A 31 -4.274 13.908 5.991 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.886 15.096 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.219 13.107 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.890 14.540 4.781 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.414 12.338 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.328 11.148 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.661 11.117 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.571 12.223 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.061 13.058 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.189 14.205 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.930 14.422 7.293 1.00 0.00 H new ATOM 495 N GLN A 32 -5.095 13.197 3.807 1.00 0.00 N ATOM 496 CA GLN A 32 -5.984 12.244 3.152 1.00 0.00 C ATOM 497 C GLN A 32 -5.946 12.409 1.633 1.00 0.00 C ATOM 498 O GLN A 32 -6.398 11.533 0.896 1.00 0.00 O ATOM 499 CB GLN A 32 -7.416 12.419 3.664 1.00 0.00 C ATOM 500 CG GLN A 32 -7.935 11.217 4.438 1.00 0.00 C ATOM 501 CD GLN A 32 -9.384 10.903 4.122 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.697 10.350 3.068 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.280 11.255 5.038 1.00 0.00 N ATOM 0 H GLN A 32 -5.571 13.881 4.395 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.638 11.239 3.393 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.459 13.300 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.076 12.608 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.320 10.347 4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.832 11.405 5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.977 11.712 5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.270 11.069 4.881 1.00 0.00 H new ATOM 512 N ASP A 33 -5.407 13.535 1.172 1.00 0.00 N ATOM 513 CA ASP A 33 -5.314 13.806 -0.258 1.00 0.00 C ATOM 514 C ASP A 33 -4.133 13.063 -0.877 1.00 0.00 C ATOM 515 O ASP A 33 -4.125 12.781 -2.074 1.00 0.00 O ATOM 516 CB ASP A 33 -5.177 15.309 -0.505 1.00 0.00 C ATOM 517 CG ASP A 33 -6.102 15.802 -1.602 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.018 15.275 -2.730 1.00 0.00 O ATOM 519 OD2 ASP A 33 -6.909 16.715 -1.329 1.00 0.00 O ATOM 0 H ASP A 33 -5.029 14.272 1.767 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.229 13.451 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.393 15.847 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.146 15.538 -0.773 1.00 0.00 H new ATOM 524 N LYS A 34 -3.137 12.747 -0.053 1.00 0.00 N ATOM 525 CA LYS A 34 -1.957 12.032 -0.524 1.00 0.00 C ATOM 526 C LYS A 34 -2.251 10.543 -0.657 1.00 0.00 C ATOM 527 O LYS A 34 -2.042 9.951 -1.717 1.00 0.00 O ATOM 528 CB LYS A 34 -0.784 12.252 0.432 1.00 0.00 C ATOM 529 CG LYS A 34 -0.068 13.577 0.222 1.00 0.00 C ATOM 530 CD LYS A 34 -0.815 14.726 0.880 1.00 0.00 C ATOM 531 CE LYS A 34 -0.671 16.012 0.084 1.00 0.00 C ATOM 532 NZ LYS A 34 -1.863 16.894 0.231 1.00 0.00 N ATOM 0 H LYS A 34 -3.125 12.975 0.941 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.689 12.423 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.149 12.204 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.069 11.439 0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.940 13.516 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.033 13.772 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.871 14.470 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.435 14.878 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.219 16.547 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.525 15.772 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.352 16.973 -0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.511 16.488 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.560 17.838 0.544 1.00 0.00 H new ATOM 546 N ILE A 35 -2.747 9.943 0.420 1.00 0.00 N ATOM 547 CA ILE A 35 -3.079 8.523 0.412 1.00 0.00 C ATOM 548 C ILE A 35 -4.431 8.295 -0.256 1.00 0.00 C ATOM 549 O ILE A 35 -5.286 9.182 -0.261 1.00 0.00 O ATOM 550 CB ILE A 35 -3.113 7.942 1.840 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.290 6.422 1.790 1.00 0.00 C ATOM 552 CG2 ILE A 35 -4.227 8.584 2.654 1.00 0.00 C ATOM 553 CD1 ILE A 35 -2.889 5.726 3.073 1.00 0.00 C ATOM 0 H ILE A 35 -2.927 10.415 1.306 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.300 8.011 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.164 8.165 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.333 6.192 1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.697 6.022 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.234 8.160 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.060 9.659 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.186 8.393 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.040 4.652 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.838 5.926 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.500 6.099 3.895 1.00 0.00 H new ATOM 565 N PHE A 36 -4.623 7.110 -0.827 1.00 0.00 N ATOM 566 CA PHE A 36 -5.876 6.790 -1.500 1.00 0.00 C ATOM 567 C PHE A 36 -6.368 5.398 -1.126 1.00 0.00 C ATOM 568 O PHE A 36 -7.503 5.232 -0.677 1.00 0.00 O ATOM 569 CB PHE A 36 -5.705 6.896 -3.014 1.00 0.00 C ATOM 570 CG PHE A 36 -4.995 8.148 -3.442 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.562 9.391 -3.214 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.761 8.080 -4.064 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.907 10.545 -3.598 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.102 9.231 -4.451 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.676 10.466 -4.217 1.00 0.00 C ATOM 0 H PHE A 36 -3.932 6.360 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.624 7.511 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.149 6.030 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.686 6.862 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.526 9.459 -2.731 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.308 7.117 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.358 11.509 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.139 9.166 -4.936 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.163 11.367 -4.518 1.00 0.00 H new ATOM 585 N GLN A 37 -5.517 4.394 -1.314 1.00 0.00 N ATOM 586 CA GLN A 37 -5.891 3.020 -0.991 1.00 0.00 C ATOM 587 C GLN A 37 -5.010 2.443 0.107 1.00 0.00 C ATOM 588 O GLN A 37 -3.886 2.892 0.329 1.00 0.00 O ATOM 589 CB GLN A 37 -5.802 2.117 -2.225 1.00 0.00 C ATOM 590 CG GLN A 37 -6.220 2.784 -3.525 1.00 0.00 C ATOM 591 CD GLN A 37 -7.465 2.161 -4.126 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.576 2.373 -3.642 1.00 0.00 O ATOM 593 NE2 GLN A 37 -7.281 1.384 -5.189 1.00 0.00 N ATOM 0 H GLN A 37 -4.573 4.503 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.922 3.052 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.776 1.762 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.428 1.240 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.400 3.844 -3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.402 2.717 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.341 1.237 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.080 0.935 -5.637 1.00 0.00 H new ATOM 602 N VAL A 38 -5.535 1.423 0.771 1.00 0.00 N ATOM 603 CA VAL A 38 -4.822 0.732 1.833 1.00 0.00 C ATOM 604 C VAL A 38 -5.152 -0.753 1.769 1.00 0.00 C ATOM 605 O VAL A 38 -5.755 -1.314 2.684 1.00 0.00 O ATOM 606 CB VAL A 38 -5.191 1.285 3.224 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.511 2.624 3.465 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.700 1.413 3.366 1.00 0.00 C ATOM 0 H VAL A 38 -6.467 1.052 0.588 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.754 0.892 1.687 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.837 0.582 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.784 2.998 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.430 2.498 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.832 3.337 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.941 1.805 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.081 2.093 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.162 0.433 3.242 1.00 0.00 H new ATOM 618 N LEU A 39 -4.773 -1.368 0.657 1.00 0.00 N ATOM 619 CA LEU A 39 -5.042 -2.781 0.420 1.00 0.00 C ATOM 620 C LEU A 39 -4.047 -3.672 1.154 1.00 0.00 C ATOM 621 O LEU A 39 -2.834 -3.492 1.048 1.00 0.00 O ATOM 622 CB LEU A 39 -4.999 -3.065 -1.086 1.00 0.00 C ATOM 623 CG LEU A 39 -5.707 -4.336 -1.551 1.00 0.00 C ATOM 624 CD1 LEU A 39 -4.847 -5.562 -1.283 1.00 0.00 C ATOM 625 CD2 LEU A 39 -7.066 -4.477 -0.879 1.00 0.00 C ATOM 0 H LEU A 39 -4.273 -0.905 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.035 -3.010 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.440 -2.216 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.955 -3.121 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.866 -4.259 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.371 -6.455 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.903 -5.469 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.649 -5.641 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.551 -5.389 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.934 -4.525 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.687 -3.618 -1.131 1.00 0.00 H new ATOM 637 N ILE A 40 -4.577 -4.643 1.892 1.00 0.00 N ATOM 638 CA ILE A 40 -3.750 -5.578 2.643 1.00 0.00 C ATOM 639 C ILE A 40 -3.721 -6.944 1.957 1.00 0.00 C ATOM 640 O ILE A 40 -4.770 -7.505 1.638 1.00 0.00 O ATOM 641 CB ILE A 40 -4.262 -5.749 4.086 1.00 0.00 C ATOM 642 CG1 ILE A 40 -4.535 -4.384 4.722 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.260 -6.539 4.913 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.987 -4.163 5.086 1.00 0.00 C ATOM 0 H ILE A 40 -5.580 -4.802 1.985 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.742 -5.163 2.675 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.199 -6.306 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.925 -4.283 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.219 -3.602 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.636 -6.651 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.117 -7.524 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.308 -6.009 4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.104 -3.175 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.602 -4.232 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.303 -4.923 5.801 1.00 0.00 H new ATOM 656 N PRO A 41 -2.520 -7.500 1.713 1.00 0.00 N ATOM 657 CA PRO A 41 -2.372 -8.804 1.056 1.00 0.00 C ATOM 658 C PRO A 41 -2.965 -9.944 1.875 1.00 0.00 C ATOM 659 O PRO A 41 -2.242 -10.687 2.539 1.00 0.00 O ATOM 660 CB PRO A 41 -0.856 -8.974 0.926 1.00 0.00 C ATOM 661 CG PRO A 41 -0.273 -8.066 1.950 1.00 0.00 C ATOM 662 CD PRO A 41 -1.215 -6.903 2.053 1.00 0.00 C ATOM 0 HA PRO A 41 -2.901 -8.835 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.559 -10.008 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.514 -8.710 -0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.172 -8.573 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.724 -7.736 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.217 -6.473 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.945 -6.103 1.363 1.00 0.00 H new ATOM 670 N THR A 42 -4.287 -10.082 1.821 1.00 0.00 N ATOM 671 CA THR A 42 -4.975 -11.137 2.555 1.00 0.00 C ATOM 672 C THR A 42 -6.118 -11.721 1.730 1.00 0.00 C ATOM 673 O THR A 42 -6.892 -10.986 1.114 1.00 0.00 O ATOM 674 CB THR A 42 -5.512 -10.597 3.882 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.527 -9.635 3.657 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.447 -9.950 4.740 1.00 0.00 C ATOM 0 H THR A 42 -4.902 -9.477 1.277 1.00 0.00 H new ATOM 0 HA THR A 42 -4.256 -11.931 2.757 1.00 0.00 H new ATOM 0 HB THR A 42 -5.902 -11.466 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.859 -9.303 4.517 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.895 -9.589 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.673 -10.682 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.004 -9.113 4.201 1.00 0.00 H new ATOM 684 N GLU A 43 -6.219 -13.046 1.725 1.00 0.00 N ATOM 685 CA GLU A 43 -7.267 -13.731 0.976 1.00 0.00 C ATOM 686 C GLU A 43 -8.567 -13.771 1.776 1.00 0.00 C ATOM 687 O GLU A 43 -8.556 -13.675 3.002 1.00 0.00 O ATOM 688 CB GLU A 43 -6.827 -15.154 0.627 1.00 0.00 C ATOM 689 CG GLU A 43 -7.802 -15.890 -0.276 1.00 0.00 C ATOM 690 CD GLU A 43 -7.110 -16.863 -1.211 1.00 0.00 C ATOM 691 OE1 GLU A 43 -6.295 -16.412 -2.041 1.00 0.00 O ATOM 692 OE2 GLU A 43 -7.384 -18.079 -1.111 1.00 0.00 O ATOM 0 H GLU A 43 -5.588 -13.667 2.231 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.443 -13.176 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.853 -15.114 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.699 -15.722 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.522 -16.431 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.365 -15.165 -0.864 1.00 0.00 H new ATOM 699 N GLU A 44 -9.685 -13.911 1.070 1.00 0.00 N ATOM 700 CA GLU A 44 -10.993 -13.963 1.714 1.00 0.00 C ATOM 701 C GLU A 44 -11.861 -15.054 1.096 1.00 0.00 C ATOM 702 O GLU A 44 -12.153 -15.027 -0.100 1.00 0.00 O ATOM 703 CB GLU A 44 -11.695 -12.610 1.596 1.00 0.00 C ATOM 704 CG GLU A 44 -10.794 -11.426 1.910 1.00 0.00 C ATOM 705 CD GLU A 44 -11.334 -10.121 1.360 1.00 0.00 C ATOM 706 OE1 GLU A 44 -11.149 -9.864 0.151 1.00 0.00 O ATOM 707 OE2 GLU A 44 -11.939 -9.354 2.136 1.00 0.00 O ATOM 0 H GLU A 44 -9.711 -13.990 0.053 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.843 -14.197 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.086 -12.500 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.550 -12.594 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.677 -11.340 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.803 -11.608 1.495 1.00 0.00 H new ATOM 714 N VAL A 45 -12.272 -16.013 1.920 1.00 0.00 N ATOM 715 CA VAL A 45 -13.107 -17.114 1.455 1.00 0.00 C ATOM 716 C VAL A 45 -14.040 -17.600 2.559 1.00 0.00 C ATOM 717 O VAL A 45 -13.848 -17.283 3.733 1.00 0.00 O ATOM 718 CB VAL A 45 -12.256 -18.298 0.963 1.00 0.00 C ATOM 719 CG1 VAL A 45 -11.466 -17.909 -0.278 1.00 0.00 C ATOM 720 CG2 VAL A 45 -11.326 -18.782 2.065 1.00 0.00 C ATOM 0 H VAL A 45 -12.040 -16.049 2.913 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.698 -16.731 0.623 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.925 -19.117 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.870 -18.759 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.154 -17.615 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.806 -17.074 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.732 -19.619 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.663 -17.970 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.916 -19.104 2.924 1.00 0.00 H new ATOM 730 N VAL A 46 -15.052 -18.373 2.175 1.00 0.00 N ATOM 731 CA VAL A 46 -16.015 -18.903 3.133 1.00 0.00 C ATOM 732 C VAL A 46 -16.179 -20.410 2.970 1.00 0.00 C ATOM 733 O VAL A 46 -16.040 -20.946 1.871 1.00 0.00 O ATOM 734 CB VAL A 46 -17.390 -18.229 2.977 1.00 0.00 C ATOM 735 CG1 VAL A 46 -17.331 -16.780 3.434 1.00 0.00 C ATOM 736 CG2 VAL A 46 -17.871 -18.322 1.537 1.00 0.00 C ATOM 0 H VAL A 46 -15.226 -18.646 1.208 1.00 0.00 H new ATOM 0 HA VAL A 46 -15.624 -18.688 4.127 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.105 -18.756 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.313 -16.321 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.036 -16.741 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -16.602 -16.238 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.844 -17.840 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -17.157 -17.823 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -17.957 -19.370 1.249 1.00 0.00 H new ATOM 746 N GLU A 47 -16.477 -21.089 4.074 1.00 0.00 N ATOM 747 CA GLU A 47 -16.659 -22.535 4.056 1.00 0.00 C ATOM 748 C GLU A 47 -18.113 -22.904 4.339 1.00 0.00 C ATOM 749 O GLU A 47 -18.792 -23.484 3.491 1.00 0.00 O ATOM 750 CB GLU A 47 -15.744 -23.199 5.088 1.00 0.00 C ATOM 751 CG GLU A 47 -15.851 -24.715 5.111 1.00 0.00 C ATOM 752 CD GLU A 47 -15.783 -25.282 6.515 1.00 0.00 C ATOM 753 OE1 GLU A 47 -15.249 -24.591 7.409 1.00 0.00 O ATOM 754 OE2 GLU A 47 -16.265 -26.415 6.722 1.00 0.00 O ATOM 0 H GLU A 47 -16.597 -20.660 4.992 1.00 0.00 H new ATOM 0 HA GLU A 47 -16.397 -22.896 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.711 -22.919 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.985 -22.811 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.790 -25.017 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.047 -25.142 4.511 1.00 0.00 H new ATOM 761 N LEU A 48 -18.582 -22.562 5.534 1.00 0.00 N ATOM 762 CA LEU A 48 -19.955 -22.858 5.928 1.00 0.00 C ATOM 763 C LEU A 48 -20.840 -21.625 5.777 1.00 0.00 C ATOM 764 O LEU A 48 -20.377 -20.493 5.921 1.00 0.00 O ATOM 765 CB LEU A 48 -19.995 -23.353 7.375 1.00 0.00 C ATOM 766 CG LEU A 48 -19.560 -24.806 7.575 1.00 0.00 C ATOM 767 CD1 LEU A 48 -18.861 -24.975 8.913 1.00 0.00 C ATOM 768 CD2 LEU A 48 -20.759 -25.737 7.473 1.00 0.00 C ATOM 0 H LEU A 48 -18.033 -22.080 6.246 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.336 -23.641 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.354 -22.711 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -21.010 -23.238 7.754 1.00 0.00 H new ATOM 0 HG LEU A 48 -18.854 -25.067 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.559 -26.015 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.979 -24.335 8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.542 -24.697 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.433 -26.767 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.488 -25.476 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -21.216 -25.636 6.488 1.00 0.00 H new ATOM 780 N ARG A 49 -22.117 -21.851 5.486 1.00 0.00 N ATOM 781 CA ARG A 49 -23.068 -20.759 5.316 1.00 0.00 C ATOM 782 C ARG A 49 -24.481 -21.207 5.681 1.00 0.00 C ATOM 783 O ARG A 49 -25.171 -20.545 6.456 1.00 0.00 O ATOM 784 CB ARG A 49 -23.036 -20.247 3.874 1.00 0.00 C ATOM 785 CG ARG A 49 -22.248 -18.958 3.706 1.00 0.00 C ATOM 786 CD ARG A 49 -22.704 -18.182 2.480 1.00 0.00 C ATOM 787 NE ARG A 49 -24.066 -17.675 2.630 1.00 0.00 N ATOM 788 CZ ARG A 49 -24.378 -16.584 3.325 1.00 0.00 C ATOM 789 NH1 ARG A 49 -23.430 -15.884 3.937 1.00 0.00 N ATOM 790 NH2 ARG A 49 -25.643 -16.190 3.408 1.00 0.00 N ATOM 0 H ARG A 49 -22.517 -22.781 5.363 1.00 0.00 H new ATOM 0 HA ARG A 49 -22.779 -19.950 5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -22.602 -21.015 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -24.058 -20.086 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.367 -18.339 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.186 -19.188 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.024 -17.348 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -22.651 -18.826 1.602 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.822 -18.187 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.456 -16.182 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.675 -15.049 4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -26.375 -16.723 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.883 -15.354 3.941 1.00 0.00 H new ATOM 804 N GLU A 50 -24.904 -22.334 5.120 1.00 0.00 N ATOM 805 CA GLU A 50 -26.234 -22.869 5.388 1.00 0.00 C ATOM 806 C GLU A 50 -26.364 -23.294 6.848 1.00 0.00 C ATOM 807 O GLU A 50 -25.366 -23.564 7.517 1.00 0.00 O ATOM 808 CB GLU A 50 -26.524 -24.058 4.471 1.00 0.00 C ATOM 809 CG GLU A 50 -27.998 -24.224 4.138 1.00 0.00 C ATOM 810 CD GLU A 50 -28.296 -25.541 3.448 1.00 0.00 C ATOM 811 OE1 GLU A 50 -28.248 -26.590 4.124 1.00 0.00 O ATOM 812 OE2 GLU A 50 -28.575 -25.523 2.231 1.00 0.00 O ATOM 0 H GLU A 50 -24.345 -22.895 4.477 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.962 -22.082 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -25.962 -23.937 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -26.163 -24.970 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -28.583 -24.158 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -28.317 -23.402 3.497 1.00 0.00 H new ATOM 819 N GLY A 51 -27.600 -23.350 7.335 1.00 0.00 N ATOM 820 CA GLY A 51 -27.834 -23.743 8.711 1.00 0.00 C ATOM 821 C GLY A 51 -27.720 -22.576 9.674 1.00 0.00 C ATOM 822 O GLY A 51 -28.429 -21.580 9.541 1.00 0.00 O ATOM 0 H GLY A 51 -28.441 -23.131 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -28.827 -24.185 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -27.117 -24.514 8.993 1.00 0.00 H new ATOM 826 N GLY A 52 -26.822 -22.701 10.647 1.00 0.00 N ATOM 827 CA GLY A 52 -26.631 -21.642 11.620 1.00 0.00 C ATOM 828 C GLY A 52 -25.181 -21.485 12.032 1.00 0.00 C ATOM 829 O GLY A 52 -24.889 -21.063 13.151 1.00 0.00 O ATOM 0 H GLY A 52 -26.224 -23.517 10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -26.991 -20.701 11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -27.235 -21.851 12.503 1.00 0.00 H new ATOM 833 N LYS A 53 -24.270 -21.826 11.127 1.00 0.00 N ATOM 834 CA LYS A 53 -22.842 -21.721 11.401 1.00 0.00 C ATOM 835 C LYS A 53 -22.138 -20.909 10.319 1.00 0.00 C ATOM 836 O LYS A 53 -22.159 -21.273 9.144 1.00 0.00 O ATOM 837 CB LYS A 53 -22.217 -23.115 11.502 1.00 0.00 C ATOM 838 CG LYS A 53 -21.892 -23.534 12.927 1.00 0.00 C ATOM 839 CD LYS A 53 -22.974 -24.433 13.505 1.00 0.00 C ATOM 840 CE LYS A 53 -22.569 -25.897 13.453 1.00 0.00 C ATOM 841 NZ LYS A 53 -23.260 -26.703 14.496 1.00 0.00 N ATOM 0 H LYS A 53 -24.496 -22.178 10.197 1.00 0.00 H new ATOM 0 HA LYS A 53 -22.716 -21.206 12.353 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -22.900 -23.843 11.065 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -21.303 -23.138 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -20.936 -24.057 12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -21.782 -22.648 13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -23.174 -24.146 14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -23.901 -24.291 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -22.801 -26.303 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.490 -25.980 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.956 -27.695 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.019 -26.333 15.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -24.289 -26.645 14.354 1.00 0.00 H new ATOM 855 N LYS A 54 -21.514 -19.807 10.724 1.00 0.00 N ATOM 856 CA LYS A 54 -20.802 -18.943 9.789 1.00 0.00 C ATOM 857 C LYS A 54 -19.304 -18.957 10.070 1.00 0.00 C ATOM 858 O LYS A 54 -18.873 -18.774 11.209 1.00 0.00 O ATOM 859 CB LYS A 54 -21.336 -17.512 9.878 1.00 0.00 C ATOM 860 CG LYS A 54 -21.223 -16.905 11.267 1.00 0.00 C ATOM 861 CD LYS A 54 -21.771 -15.488 11.301 1.00 0.00 C ATOM 862 CE LYS A 54 -20.866 -14.522 10.555 1.00 0.00 C ATOM 863 NZ LYS A 54 -21.644 -13.500 9.804 1.00 0.00 N ATOM 0 H LYS A 54 -21.487 -19.491 11.694 1.00 0.00 H new ATOM 0 HA LYS A 54 -20.968 -19.324 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.792 -16.885 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -22.382 -17.504 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -21.766 -17.524 11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -20.179 -16.900 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -22.767 -15.471 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -21.877 -15.163 12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.203 -14.025 11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -20.234 -15.078 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.990 -12.861 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -22.258 -13.972 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.228 -12.952 10.467 1.00 0.00 H new ATOM 877 N GLU A 55 -18.512 -19.176 9.025 1.00 0.00 N ATOM 878 CA GLU A 55 -17.060 -19.215 9.161 1.00 0.00 C ATOM 879 C GLU A 55 -16.387 -18.434 8.039 1.00 0.00 C ATOM 880 O GLU A 55 -16.808 -18.499 6.883 1.00 0.00 O ATOM 881 CB GLU A 55 -16.566 -20.663 9.158 1.00 0.00 C ATOM 882 CG GLU A 55 -15.068 -20.794 9.379 1.00 0.00 C ATOM 883 CD GLU A 55 -14.723 -21.232 10.788 1.00 0.00 C ATOM 884 OE1 GLU A 55 -15.552 -21.015 11.698 1.00 0.00 O ATOM 885 OE2 GLU A 55 -13.624 -21.793 10.984 1.00 0.00 O ATOM 0 H GLU A 55 -18.851 -19.329 8.075 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.796 -18.750 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.090 -21.219 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.826 -21.125 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.661 -21.514 8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.589 -19.837 9.172 1.00 0.00 H new ATOM 892 N VAL A 56 -15.338 -17.696 8.386 1.00 0.00 N ATOM 893 CA VAL A 56 -14.604 -16.903 7.409 1.00 0.00 C ATOM 894 C VAL A 56 -13.104 -17.152 7.517 1.00 0.00 C ATOM 895 O VAL A 56 -12.512 -16.980 8.583 1.00 0.00 O ATOM 896 CB VAL A 56 -14.876 -15.398 7.586 1.00 0.00 C ATOM 897 CG1 VAL A 56 -16.335 -15.081 7.297 1.00 0.00 C ATOM 898 CG2 VAL A 56 -14.492 -14.947 8.988 1.00 0.00 C ATOM 0 H VAL A 56 -14.977 -17.631 9.338 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.953 -17.213 6.424 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.261 -14.850 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.508 -14.013 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.573 -15.365 6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -16.971 -15.638 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.691 -13.881 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.078 -15.501 9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.431 -15.136 9.153 1.00 0.00 H new ATOM 908 N VAL A 57 -12.493 -17.559 6.410 1.00 0.00 N ATOM 909 CA VAL A 57 -11.062 -17.832 6.384 1.00 0.00 C ATOM 910 C VAL A 57 -10.284 -16.649 5.820 1.00 0.00 C ATOM 911 O VAL A 57 -10.825 -15.840 5.065 1.00 0.00 O ATOM 912 CB VAL A 57 -10.737 -19.086 5.547 1.00 0.00 C ATOM 913 CG1 VAL A 57 -9.333 -19.581 5.851 1.00 0.00 C ATOM 914 CG2 VAL A 57 -11.763 -20.183 5.798 1.00 0.00 C ATOM 0 H VAL A 57 -12.967 -17.707 5.519 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.761 -18.006 7.417 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.783 -18.815 4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.121 -20.466 5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.612 -18.800 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.257 -19.833 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.514 -21.058 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.756 -20.453 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.755 -19.824 5.522 1.00 0.00 H new ATOM 924 N ARG A 58 -9.012 -16.555 6.192 1.00 0.00 N ATOM 925 CA ARG A 58 -8.154 -15.472 5.725 1.00 0.00 C ATOM 926 C ARG A 58 -6.733 -15.974 5.485 1.00 0.00 C ATOM 927 O ARG A 58 -6.037 -16.365 6.421 1.00 0.00 O ATOM 928 CB ARG A 58 -8.138 -14.331 6.745 1.00 0.00 C ATOM 929 CG ARG A 58 -9.464 -13.597 6.860 1.00 0.00 C ATOM 930 CD ARG A 58 -9.761 -13.197 8.298 1.00 0.00 C ATOM 931 NE ARG A 58 -9.619 -11.758 8.507 1.00 0.00 N ATOM 932 CZ ARG A 58 -10.538 -10.864 8.151 1.00 0.00 C ATOM 933 NH1 ARG A 58 -11.665 -11.254 7.569 1.00 0.00 N ATOM 934 NH2 ARG A 58 -10.330 -9.573 8.379 1.00 0.00 N ATOM 0 H ARG A 58 -8.552 -17.217 6.817 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.556 -15.101 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.869 -14.732 7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.361 -13.618 6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.443 -12.707 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.266 -14.233 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.775 -13.503 8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.086 -13.729 8.969 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.766 -11.419 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.831 -12.245 7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.365 -10.563 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.466 -9.267 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.034 -8.887 8.106 1.00 0.00 H new ATOM 948 N LYS A 59 -6.310 -15.964 4.224 1.00 0.00 N ATOM 949 CA LYS A 59 -4.973 -16.422 3.864 1.00 0.00 C ATOM 950 C LYS A 59 -4.095 -15.255 3.423 1.00 0.00 C ATOM 951 O LYS A 59 -4.268 -14.714 2.332 1.00 0.00 O ATOM 952 CB LYS A 59 -5.049 -17.466 2.747 1.00 0.00 C ATOM 953 CG LYS A 59 -6.171 -18.477 2.928 1.00 0.00 C ATOM 954 CD LYS A 59 -6.539 -19.142 1.611 1.00 0.00 C ATOM 955 CE LYS A 59 -5.846 -20.484 1.450 1.00 0.00 C ATOM 956 NZ LYS A 59 -4.374 -20.332 1.289 1.00 0.00 N ATOM 0 H LYS A 59 -6.873 -15.644 3.436 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.525 -16.877 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.183 -16.955 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.099 -17.997 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.865 -19.237 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.047 -17.979 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.619 -19.281 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.264 -18.488 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.054 -21.107 2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.255 -21.002 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.970 -21.222 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.176 -19.567 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.946 -20.101 2.208 1.00 0.00 H new ATOM 970 N LYS A 60 -3.152 -14.874 4.279 1.00 0.00 N ATOM 971 CA LYS A 60 -2.245 -13.773 3.975 1.00 0.00 C ATOM 972 C LYS A 60 -1.376 -14.107 2.768 1.00 0.00 C ATOM 973 O LYS A 60 -0.397 -14.844 2.878 1.00 0.00 O ATOM 974 CB LYS A 60 -1.362 -13.464 5.185 1.00 0.00 C ATOM 975 CG LYS A 60 -2.129 -12.887 6.364 1.00 0.00 C ATOM 976 CD LYS A 60 -1.207 -12.148 7.321 1.00 0.00 C ATOM 977 CE LYS A 60 -1.976 -11.566 8.496 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.436 -10.242 8.915 1.00 0.00 N ATOM 0 H LYS A 60 -2.996 -15.311 5.187 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.844 -12.893 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.860 -14.378 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.585 -12.760 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.899 -12.206 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.639 -13.690 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.440 -12.830 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.694 -11.348 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.026 -11.460 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.932 -12.258 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.988 -9.880 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.441 -10.347 9.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.501 -9.573 8.121 1.00 0.00 H new ATOM 992 N LEU A 61 -1.745 -13.562 1.611 1.00 0.00 N ATOM 993 CA LEU A 61 -1.000 -13.805 0.381 1.00 0.00 C ATOM 994 C LEU A 61 0.433 -13.294 0.499 1.00 0.00 C ATOM 995 O LEU A 61 1.354 -13.859 -0.091 1.00 0.00 O ATOM 996 CB LEU A 61 -1.701 -13.134 -0.803 1.00 0.00 C ATOM 997 CG LEU A 61 -3.094 -13.678 -1.123 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.794 -12.786 -2.137 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.004 -15.105 -1.641 1.00 0.00 C ATOM 0 H LEU A 61 -2.554 -12.951 1.501 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.966 -14.881 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.782 -12.066 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.073 -13.243 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.681 -13.682 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.784 -13.188 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.892 -11.780 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.208 -12.750 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.005 -15.475 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.400 -15.125 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.543 -15.739 -0.883 1.00 0.00 H new ATOM 1011 N PHE A 62 0.614 -12.227 1.270 1.00 0.00 N ATOM 1012 CA PHE A 62 1.937 -11.646 1.470 1.00 0.00 C ATOM 1013 C PHE A 62 2.125 -11.224 2.926 1.00 0.00 C ATOM 1014 O PHE A 62 1.918 -10.063 3.279 1.00 0.00 O ATOM 1015 CB PHE A 62 2.140 -10.444 0.543 1.00 0.00 C ATOM 1016 CG PHE A 62 1.828 -10.738 -0.899 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.517 -10.913 -1.317 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.844 -10.838 -1.836 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.226 -11.182 -2.640 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.559 -11.106 -3.161 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.248 -11.279 -3.564 1.00 0.00 C ATOM 0 H PHE A 62 -0.137 -11.747 1.766 1.00 0.00 H new ATOM 0 HA PHE A 62 2.682 -12.404 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.509 -9.623 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.173 -10.106 0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.286 -10.838 -0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.870 -10.705 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.799 -11.316 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.360 -11.180 -3.882 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.023 -11.490 -4.599 1.00 0.00 H new ATOM 1031 N PRO A 63 2.519 -12.172 3.794 1.00 0.00 N ATOM 1032 CA PRO A 63 2.731 -11.899 5.220 1.00 0.00 C ATOM 1033 C PRO A 63 3.757 -10.796 5.457 1.00 0.00 C ATOM 1034 O PRO A 63 4.783 -10.732 4.780 1.00 0.00 O ATOM 1035 CB PRO A 63 3.247 -13.233 5.771 1.00 0.00 C ATOM 1036 CG PRO A 63 2.779 -14.258 4.797 1.00 0.00 C ATOM 1037 CD PRO A 63 2.780 -13.581 3.457 1.00 0.00 C ATOM 0 HA PRO A 63 1.819 -11.548 5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.334 -13.233 5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.853 -13.427 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.438 -15.126 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.782 -14.615 5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.734 -13.703 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.011 -13.987 2.800 1.00 0.00 H new ATOM 1045 N GLY A 64 3.473 -9.933 6.426 1.00 0.00 N ATOM 1046 CA GLY A 64 4.382 -8.846 6.744 1.00 0.00 C ATOM 1047 C GLY A 64 4.493 -7.828 5.625 1.00 0.00 C ATOM 1048 O GLY A 64 5.498 -7.125 5.518 1.00 0.00 O ATOM 0 H GLY A 64 2.629 -9.966 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.041 -8.347 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.370 -9.255 6.957 1.00 0.00 H new ATOM 1052 N TYR A 65 3.461 -7.744 4.791 1.00 0.00 N ATOM 1053 CA TYR A 65 3.456 -6.800 3.679 1.00 0.00 C ATOM 1054 C TYR A 65 2.148 -6.014 3.636 1.00 0.00 C ATOM 1055 O TYR A 65 1.068 -6.580 3.803 1.00 0.00 O ATOM 1056 CB TYR A 65 3.666 -7.534 2.354 1.00 0.00 C ATOM 1057 CG TYR A 65 5.119 -7.808 2.033 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.995 -6.769 1.746 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.614 -9.106 2.016 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.321 -7.015 1.449 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.939 -9.361 1.719 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.788 -8.312 1.437 1.00 0.00 C ATOM 1063 OH TYR A 65 9.109 -8.562 1.142 1.00 0.00 O ATOM 0 H TYR A 65 2.620 -8.316 4.864 1.00 0.00 H new ATOM 0 HA TYR A 65 4.276 -6.099 3.831 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.125 -8.480 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.231 -6.943 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.633 -5.752 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.952 -9.930 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.989 -6.196 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.308 -10.376 1.708 1.00 0.00 H new ATOM 0 HH TYR A 65 9.682 -8.007 1.711 1.00 0.00 H new ATOM 1073 N LEU A 66 2.255 -4.710 3.406 1.00 0.00 N ATOM 1074 CA LEU A 66 1.082 -3.846 3.335 1.00 0.00 C ATOM 1075 C LEU A 66 1.144 -2.964 2.093 1.00 0.00 C ATOM 1076 O LEU A 66 2.148 -2.300 1.845 1.00 0.00 O ATOM 1077 CB LEU A 66 0.977 -2.976 4.590 1.00 0.00 C ATOM 1078 CG LEU A 66 -0.380 -3.016 5.295 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.350 -2.180 6.566 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.477 -2.533 4.358 1.00 0.00 C ATOM 0 H LEU A 66 3.143 -4.228 3.265 1.00 0.00 H new ATOM 0 HA LEU A 66 0.196 -4.479 3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.745 -3.290 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.197 -1.944 4.317 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.595 -4.048 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.325 -2.222 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.410 -2.573 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.114 -1.146 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.437 -2.567 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.267 -1.509 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.514 -3.177 3.479 1.00 0.00 H new ATOM 1092 N PHE A 67 0.067 -2.963 1.315 1.00 0.00 N ATOM 1093 CA PHE A 67 0.008 -2.164 0.095 1.00 0.00 C ATOM 1094 C PHE A 67 -0.749 -0.860 0.324 1.00 0.00 C ATOM 1095 O PHE A 67 -1.918 -0.867 0.715 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.653 -2.958 -1.032 1.00 0.00 C ATOM 1097 CG PHE A 67 -0.163 -4.374 -1.145 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.174 -4.682 -0.944 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -1.043 -5.397 -1.455 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.622 -5.985 -1.051 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.601 -6.701 -1.564 1.00 0.00 C ATOM 1102 CZ PHE A 67 0.733 -6.995 -1.361 1.00 0.00 C ATOM 0 H PHE A 67 -0.776 -3.505 1.506 1.00 0.00 H new ATOM 0 HA PHE A 67 1.031 -1.920 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.731 -2.968 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.475 -2.445 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.873 -3.895 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.087 -5.173 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.666 -6.213 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.298 -7.490 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.081 -8.014 -1.445 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.075 0.258 0.072 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.678 1.574 0.243 1.00 0.00 C ATOM 1114 C ILE A 68 -0.564 2.391 -1.039 1.00 0.00 C ATOM 1115 O ILE A 68 0.530 2.790 -1.434 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.012 2.356 1.393 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.203 1.451 2.609 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.854 3.568 1.766 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.659 1.289 2.991 1.00 0.00 C ATOM 0 H ILE A 68 0.892 0.278 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.729 1.414 0.485 1.00 0.00 H new ATOM 0 HB ILE A 68 0.963 2.705 1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.344 1.861 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.221 0.469 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.371 4.110 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.952 4.223 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.843 3.240 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.737 0.636 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.207 0.851 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.083 2.264 3.231 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.697 2.638 -1.686 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.709 3.410 -2.925 1.00 0.00 C ATOM 1133 C GLN A 69 -1.629 4.904 -2.629 1.00 0.00 C ATOM 1134 O GLN A 69 -2.609 5.634 -2.781 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.964 3.102 -3.743 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.753 3.239 -5.242 1.00 0.00 C ATOM 1137 CD GLN A 69 -4.014 3.650 -5.978 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.682 4.611 -5.600 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.343 2.920 -7.036 1.00 0.00 N ATOM 0 H GLN A 69 -2.615 2.318 -1.377 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.835 3.123 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.294 2.087 -3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.765 3.773 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.972 3.976 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.397 2.290 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.759 2.131 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.180 3.148 -7.572 1.00 0.00 H new ATOM 1148 N MET A 70 -0.449 5.346 -2.201 1.00 0.00 N ATOM 1149 CA MET A 70 -0.221 6.751 -1.876 1.00 0.00 C ATOM 1150 C MET A 70 0.300 7.522 -3.091 1.00 0.00 C ATOM 1151 O MET A 70 0.201 7.052 -4.225 1.00 0.00 O ATOM 1152 CB MET A 70 0.760 6.870 -0.706 1.00 0.00 C ATOM 1153 CG MET A 70 2.187 6.483 -1.058 1.00 0.00 C ATOM 1154 SD MET A 70 3.371 6.949 0.220 1.00 0.00 S ATOM 1155 CE MET A 70 2.490 6.451 1.697 1.00 0.00 C ATOM 0 H MET A 70 0.367 4.748 -2.071 1.00 0.00 H new ATOM 0 HA MET A 70 -1.174 7.191 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.752 7.897 -0.341 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.414 6.238 0.112 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.238 5.406 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.467 6.959 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.180 6.423 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.693 7.165 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.060 5.461 1.548 1.00 0.00 H new ATOM 1165 N ASP A 71 0.865 8.702 -2.841 1.00 0.00 N ATOM 1166 CA ASP A 71 1.413 9.535 -3.907 1.00 0.00 C ATOM 1167 C ASP A 71 2.613 10.333 -3.404 1.00 0.00 C ATOM 1168 O ASP A 71 2.467 11.457 -2.925 1.00 0.00 O ATOM 1169 CB ASP A 71 0.348 10.493 -4.445 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.313 11.306 -3.349 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.084 11.153 -2.173 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -1.227 12.097 -3.665 1.00 0.00 O ATOM 0 H ASP A 71 0.955 9.102 -1.907 1.00 0.00 H new ATOM 0 HA ASP A 71 1.738 8.877 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.805 11.169 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.413 9.922 -4.978 1.00 0.00 H new ATOM 1177 N LEU A 72 3.799 9.744 -3.517 1.00 0.00 N ATOM 1178 CA LEU A 72 5.023 10.401 -3.072 1.00 0.00 C ATOM 1179 C LEU A 72 5.515 11.414 -4.107 1.00 0.00 C ATOM 1180 O LEU A 72 6.344 12.270 -3.800 1.00 0.00 O ATOM 1181 CB LEU A 72 6.114 9.364 -2.798 1.00 0.00 C ATOM 1182 CG LEU A 72 6.151 8.823 -1.366 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.325 7.871 -1.184 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.231 9.966 -0.367 1.00 0.00 C ATOM 0 H LEU A 72 3.939 8.814 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 72 4.798 10.936 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.978 8.527 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.082 9.809 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 72 5.230 8.270 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.335 7.497 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.225 7.034 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.257 8.399 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.256 9.563 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.136 10.546 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.358 10.609 -0.480 1.00 0.00 H new ATOM 1196 N GLY A 73 5.004 11.309 -5.330 1.00 0.00 N ATOM 1197 CA GLY A 73 5.409 12.222 -6.382 1.00 0.00 C ATOM 1198 C GLY A 73 5.001 13.655 -6.095 1.00 0.00 C ATOM 1199 O GLY A 73 4.016 14.149 -6.645 1.00 0.00 O ATOM 0 H GLY A 73 4.318 10.609 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.491 12.173 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.966 11.903 -7.326 1.00 0.00 H new ATOM 1203 N ASP A 74 5.761 14.323 -5.234 1.00 0.00 N ATOM 1204 CA ASP A 74 5.475 15.708 -4.873 1.00 0.00 C ATOM 1205 C ASP A 74 6.734 16.404 -4.365 1.00 0.00 C ATOM 1206 O ASP A 74 7.340 15.972 -3.385 1.00 0.00 O ATOM 1207 CB ASP A 74 4.380 15.763 -3.807 1.00 0.00 C ATOM 1208 CG ASP A 74 3.043 15.270 -4.325 1.00 0.00 C ATOM 1209 OD1 ASP A 74 2.788 14.051 -4.244 1.00 0.00 O ATOM 1210 OD2 ASP A 74 2.251 16.105 -4.814 1.00 0.00 O ATOM 0 H ASP A 74 6.580 13.928 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 74 5.127 16.229 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.680 15.159 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.273 16.788 -3.452 1.00 0.00 H new ATOM 1215 N GLU A 75 7.121 17.483 -5.038 1.00 0.00 N ATOM 1216 CA GLU A 75 8.308 18.237 -4.654 1.00 0.00 C ATOM 1217 C GLU A 75 9.559 17.371 -4.755 1.00 0.00 C ATOM 1218 O GLU A 75 9.497 16.222 -5.194 1.00 0.00 O ATOM 1219 CB GLU A 75 8.159 18.778 -3.230 1.00 0.00 C ATOM 1220 CG GLU A 75 7.591 20.185 -3.170 1.00 0.00 C ATOM 1221 CD GLU A 75 7.688 20.794 -1.785 1.00 0.00 C ATOM 1222 OE1 GLU A 75 8.796 21.228 -1.404 1.00 0.00 O ATOM 1223 OE2 GLU A 75 6.658 20.837 -1.081 1.00 0.00 O ATOM 0 H GLU A 75 6.630 17.854 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 75 8.413 19.076 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.512 18.109 -2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.134 18.768 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.123 20.818 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.547 20.165 -3.482 1.00 0.00 H new ATOM 1230 N GLU A 76 10.693 17.927 -4.344 1.00 0.00 N ATOM 1231 CA GLU A 76 11.959 17.204 -4.388 1.00 0.00 C ATOM 1232 C GLU A 76 12.033 16.165 -3.273 1.00 0.00 C ATOM 1233 O GLU A 76 12.660 15.118 -3.428 1.00 0.00 O ATOM 1234 CB GLU A 76 13.132 18.179 -4.276 1.00 0.00 C ATOM 1235 CG GLU A 76 14.136 18.056 -5.412 1.00 0.00 C ATOM 1236 CD GLU A 76 15.569 18.209 -4.942 1.00 0.00 C ATOM 1237 OE1 GLU A 76 16.017 17.377 -4.125 1.00 0.00 O ATOM 1238 OE2 GLU A 76 16.242 19.159 -5.391 1.00 0.00 O ATOM 0 H GLU A 76 10.762 18.876 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 76 12.019 16.685 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.746 19.198 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.645 18.010 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.017 17.085 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.922 18.814 -6.165 1.00 0.00 H new ATOM 1245 N GLU A 77 11.392 16.465 -2.147 1.00 0.00 N ATOM 1246 CA GLU A 77 11.387 15.557 -1.007 1.00 0.00 C ATOM 1247 C GLU A 77 9.959 15.197 -0.603 1.00 0.00 C ATOM 1248 O GLU A 77 9.036 15.992 -0.781 1.00 0.00 O ATOM 1249 CB GLU A 77 12.118 16.191 0.178 1.00 0.00 C ATOM 1250 CG GLU A 77 13.547 16.602 -0.139 1.00 0.00 C ATOM 1251 CD GLU A 77 14.568 15.607 0.377 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.541 14.441 -0.069 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.396 15.996 1.228 1.00 0.00 O ATOM 0 H GLU A 77 10.870 17.329 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 77 11.904 14.643 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.562 17.067 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.127 15.485 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.660 16.707 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 77 13.745 17.580 0.299 1.00 0.00 H new ATOM 1260 N PRO A 78 9.759 13.987 -0.052 1.00 0.00 N ATOM 1261 CA PRO A 78 8.434 13.525 0.377 1.00 0.00 C ATOM 1262 C PRO A 78 7.745 14.524 1.300 1.00 0.00 C ATOM 1263 O PRO A 78 8.401 15.260 2.036 1.00 0.00 O ATOM 1264 CB PRO A 78 8.735 12.224 1.125 1.00 0.00 C ATOM 1265 CG PRO A 78 10.020 11.743 0.548 1.00 0.00 C ATOM 1266 CD PRO A 78 10.805 12.977 0.197 1.00 0.00 C ATOM 0 HA PRO A 78 7.754 13.399 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.823 12.396 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.939 11.493 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.563 11.126 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.845 11.128 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.468 13.276 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.429 12.820 -0.682 1.00 0.00 H new ATOM 1274 N ASN A 79 6.417 14.542 1.255 1.00 0.00 N ATOM 1275 CA ASN A 79 5.637 15.449 2.087 1.00 0.00 C ATOM 1276 C ASN A 79 5.525 14.918 3.514 1.00 0.00 C ATOM 1277 O ASN A 79 6.250 14.005 3.906 1.00 0.00 O ATOM 1278 CB ASN A 79 4.242 15.650 1.490 1.00 0.00 C ATOM 1279 CG ASN A 79 3.771 17.086 1.593 1.00 0.00 C ATOM 1280 OD1 ASN A 79 2.904 17.410 2.405 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.340 17.956 0.768 1.00 0.00 N ATOM 0 H ASN A 79 5.859 13.939 0.651 1.00 0.00 H new ATOM 0 HA ASN A 79 6.152 16.409 2.117 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.251 15.348 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.533 15.000 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.063 18.937 0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.055 17.643 0.111 1.00 0.00 H new ATOM 1288 N GLU A 80 4.607 15.495 4.285 1.00 0.00 N ATOM 1289 CA GLU A 80 4.399 15.080 5.668 1.00 0.00 C ATOM 1290 C GLU A 80 4.053 13.594 5.752 1.00 0.00 C ATOM 1291 O GLU A 80 4.220 12.968 6.799 1.00 0.00 O ATOM 1292 CB GLU A 80 3.283 15.910 6.306 1.00 0.00 C ATOM 1293 CG GLU A 80 1.974 15.867 5.536 1.00 0.00 C ATOM 1294 CD GLU A 80 1.236 17.190 5.566 1.00 0.00 C ATOM 1295 OE1 GLU A 80 0.603 17.493 6.600 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.291 17.925 4.558 1.00 0.00 O ATOM 0 H GLU A 80 3.996 16.251 3.975 1.00 0.00 H new ATOM 0 HA GLU A 80 5.329 15.246 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.110 15.551 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.613 16.946 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.175 15.591 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.335 15.090 5.955 1.00 0.00 H new ATOM 1303 N ALA A 81 3.570 13.034 4.643 1.00 0.00 N ATOM 1304 CA ALA A 81 3.200 11.622 4.596 1.00 0.00 C ATOM 1305 C ALA A 81 4.310 10.735 5.158 1.00 0.00 C ATOM 1306 O ALA A 81 4.040 9.721 5.800 1.00 0.00 O ATOM 1307 CB ALA A 81 2.870 11.213 3.169 1.00 0.00 C ATOM 0 H ALA A 81 3.426 13.537 3.767 1.00 0.00 H new ATOM 0 HA ALA A 81 2.316 11.486 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.596 10.158 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.037 11.812 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.741 11.375 2.534 1.00 0.00 H new ATOM 1313 N TRP A 82 5.556 11.123 4.910 1.00 0.00 N ATOM 1314 CA TRP A 82 6.702 10.361 5.393 1.00 0.00 C ATOM 1315 C TRP A 82 6.985 10.673 6.857 1.00 0.00 C ATOM 1316 O TRP A 82 7.490 9.827 7.596 1.00 0.00 O ATOM 1317 CB TRP A 82 7.939 10.660 4.546 1.00 0.00 C ATOM 1318 CG TRP A 82 9.017 9.633 4.693 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.334 9.861 4.970 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.871 8.214 4.570 1.00 0.00 C ATOM 1321 NE1 TRP A 82 11.017 8.669 5.030 1.00 0.00 N ATOM 1322 CE2 TRP A 82 10.141 7.643 4.787 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.791 7.369 4.299 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 10.356 6.269 4.742 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 8.007 6.005 4.254 1.00 0.00 C ATOM 1326 CH2 TRP A 82 9.281 5.466 4.476 1.00 0.00 C ATOM 0 H TRP A 82 5.798 11.959 4.378 1.00 0.00 H new ATOM 0 HA TRP A 82 6.462 9.301 5.306 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.647 10.723 3.498 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.336 11.636 4.826 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.775 10.835 5.120 1.00 0.00 H new ATOM 0 HE1 TRP A 82 12.013 8.565 5.224 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.805 7.775 4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 11.337 5.851 4.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.180 5.343 4.044 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.417 4.395 4.436 1.00 0.00 H new ATOM 1337 N GLU A 83 6.658 11.892 7.274 1.00 0.00 N ATOM 1338 CA GLU A 83 6.878 12.313 8.652 1.00 0.00 C ATOM 1339 C GLU A 83 5.890 11.629 9.595 1.00 0.00 C ATOM 1340 O GLU A 83 6.186 11.418 10.771 1.00 0.00 O ATOM 1341 CB GLU A 83 6.745 13.833 8.770 1.00 0.00 C ATOM 1342 CG GLU A 83 7.927 14.592 8.191 1.00 0.00 C ATOM 1343 CD GLU A 83 7.963 16.042 8.632 1.00 0.00 C ATOM 1344 OE1 GLU A 83 8.221 16.292 9.829 1.00 0.00 O ATOM 1345 OE2 GLU A 83 7.732 16.928 7.783 1.00 0.00 O ATOM 0 H GLU A 83 6.240 12.605 6.677 1.00 0.00 H new ATOM 0 HA GLU A 83 7.888 12.020 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.835 14.151 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.632 14.099 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.852 14.101 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.884 14.548 7.103 1.00 0.00 H new ATOM 1352 N VAL A 84 4.718 11.287 9.071 1.00 0.00 N ATOM 1353 CA VAL A 84 3.688 10.630 9.867 1.00 0.00 C ATOM 1354 C VAL A 84 3.906 9.120 9.911 1.00 0.00 C ATOM 1355 O VAL A 84 3.921 8.517 10.983 1.00 0.00 O ATOM 1356 CB VAL A 84 2.279 10.915 9.310 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.212 10.376 10.251 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.087 12.407 9.075 1.00 0.00 C ATOM 0 H VAL A 84 4.458 11.454 8.099 1.00 0.00 H new ATOM 0 HA VAL A 84 3.762 11.036 10.876 1.00 0.00 H new ATOM 0 HB VAL A 84 2.179 10.404 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.225 10.587 9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.336 9.299 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.310 10.855 11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.087 12.588 8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.209 12.942 10.017 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.828 12.761 8.358 1.00 0.00 H new ATOM 1368 N VAL A 85 4.072 8.516 8.739 1.00 0.00 N ATOM 1369 CA VAL A 85 4.289 7.077 8.643 1.00 0.00 C ATOM 1370 C VAL A 85 5.530 6.654 9.424 1.00 0.00 C ATOM 1371 O VAL A 85 5.552 5.591 10.045 1.00 0.00 O ATOM 1372 CB VAL A 85 4.440 6.628 7.176 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.538 5.112 7.086 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.280 7.144 6.337 1.00 0.00 C ATOM 0 H VAL A 85 4.060 9.001 7.842 1.00 0.00 H new ATOM 0 HA VAL A 85 3.411 6.595 9.074 1.00 0.00 H new ATOM 0 HB VAL A 85 5.363 7.052 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.644 4.816 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.405 4.769 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.635 4.664 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.404 6.817 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.343 6.752 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.261 8.233 6.373 1.00 0.00 H new ATOM 1384 N ARG A 86 6.560 7.492 9.389 1.00 0.00 N ATOM 1385 CA ARG A 86 7.804 7.203 10.093 1.00 0.00 C ATOM 1386 C ARG A 86 7.642 7.392 11.599 1.00 0.00 C ATOM 1387 O ARG A 86 8.353 6.774 12.391 1.00 0.00 O ATOM 1388 CB ARG A 86 8.929 8.100 9.573 1.00 0.00 C ATOM 1389 CG ARG A 86 10.322 7.567 9.874 1.00 0.00 C ATOM 1390 CD ARG A 86 11.211 7.593 8.642 1.00 0.00 C ATOM 1391 NE ARG A 86 12.556 7.099 8.929 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.409 6.685 7.995 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.063 6.701 6.713 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.614 6.252 8.343 1.00 0.00 N ATOM 0 H ARG A 86 6.558 8.376 8.881 1.00 0.00 H new ATOM 0 HA ARG A 86 8.061 6.161 9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.819 8.218 8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.825 9.091 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.777 8.164 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.248 6.546 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.761 6.985 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.272 8.612 8.260 1.00 0.00 H new ATOM 0 HE ARG A 86 12.859 7.070 9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.138 7.032 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.722 6.382 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.886 6.237 9.326 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.268 5.935 7.628 1.00 0.00 H new ATOM 1408 N GLY A 87 6.704 8.249 11.988 1.00 0.00 N ATOM 1409 CA GLY A 87 6.472 8.503 13.399 1.00 0.00 C ATOM 1410 C GLY A 87 5.302 7.713 13.960 1.00 0.00 C ATOM 1411 O GLY A 87 4.915 7.906 15.112 1.00 0.00 O ATOM 0 H GLY A 87 6.101 8.772 11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.373 8.255 13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.288 9.567 13.545 1.00 0.00 H new ATOM 1415 N THR A 88 4.737 6.820 13.149 1.00 0.00 N ATOM 1416 CA THR A 88 3.608 6.006 13.585 1.00 0.00 C ATOM 1417 C THR A 88 4.090 4.700 14.218 1.00 0.00 C ATOM 1418 O THR A 88 4.777 3.908 13.574 1.00 0.00 O ATOM 1419 CB THR A 88 2.684 5.704 12.404 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.362 5.889 11.174 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.443 6.570 12.378 1.00 0.00 C ATOM 0 H THR A 88 5.042 6.644 12.192 1.00 0.00 H new ATOM 0 HA THR A 88 3.054 6.570 14.336 1.00 0.00 H new ATOM 0 HB THR A 88 2.381 4.665 12.535 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.166 5.328 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.832 6.304 11.516 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.870 6.412 13.292 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.732 7.619 12.308 1.00 0.00 H new ATOM 1429 N PRO A 89 3.737 4.455 15.494 1.00 0.00 N ATOM 1430 CA PRO A 89 4.142 3.235 16.201 1.00 0.00 C ATOM 1431 C PRO A 89 3.739 1.971 15.449 1.00 0.00 C ATOM 1432 O PRO A 89 2.552 1.691 15.277 1.00 0.00 O ATOM 1433 CB PRO A 89 3.393 3.325 17.534 1.00 0.00 C ATOM 1434 CG PRO A 89 3.121 4.777 17.723 1.00 0.00 C ATOM 1435 CD PRO A 89 2.920 5.340 16.345 1.00 0.00 C ATOM 0 HA PRO A 89 5.224 3.170 16.311 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.467 2.750 17.507 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.993 2.926 18.352 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.237 4.932 18.341 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.953 5.268 18.228 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.870 5.322 16.052 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.251 6.377 16.282 1.00 0.00 H new ATOM 1443 N GLY A 90 4.733 1.211 15.003 1.00 0.00 N ATOM 1444 CA GLY A 90 4.460 -0.015 14.273 1.00 0.00 C ATOM 1445 C GLY A 90 5.206 -0.092 12.953 1.00 0.00 C ATOM 1446 O GLY A 90 5.272 -1.153 12.334 1.00 0.00 O ATOM 0 H GLY A 90 5.723 1.421 15.133 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.735 -0.870 14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.389 -0.090 14.085 1.00 0.00 H new ATOM 1450 N ILE A 91 5.766 1.035 12.519 1.00 0.00 N ATOM 1451 CA ILE A 91 6.506 1.083 11.263 1.00 0.00 C ATOM 1452 C ILE A 91 7.919 0.536 11.438 1.00 0.00 C ATOM 1453 O ILE A 91 8.624 0.897 12.382 1.00 0.00 O ATOM 1454 CB ILE A 91 6.582 2.522 10.712 1.00 0.00 C ATOM 1455 CG1 ILE A 91 7.262 2.534 9.340 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.322 3.429 11.686 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.395 1.980 8.232 1.00 0.00 C ATOM 0 H ILE A 91 5.721 1.924 13.018 1.00 0.00 H new ATOM 0 HA ILE A 91 5.966 0.459 10.550 1.00 0.00 H new ATOM 0 HB ILE A 91 5.567 2.902 10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.544 3.557 9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.183 1.953 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.366 4.440 11.280 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.796 3.444 12.641 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.334 3.054 11.835 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.940 2.019 7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.133 0.946 8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.485 2.575 8.150 1.00 0.00 H new ATOM 1469 N THR A 92 8.327 -0.336 10.522 1.00 0.00 N ATOM 1470 CA THR A 92 9.657 -0.933 10.573 1.00 0.00 C ATOM 1471 C THR A 92 10.419 -0.675 9.276 1.00 0.00 C ATOM 1472 O THR A 92 11.392 0.079 9.258 1.00 0.00 O ATOM 1473 CB THR A 92 9.553 -2.439 10.825 1.00 0.00 C ATOM 1474 OG1 THR A 92 8.774 -3.063 9.820 1.00 0.00 O ATOM 1475 CG2 THR A 92 8.934 -2.780 12.163 1.00 0.00 C ATOM 0 H THR A 92 7.756 -0.645 9.735 1.00 0.00 H new ATOM 0 HA THR A 92 10.205 -0.470 11.394 1.00 0.00 H new ATOM 0 HB THR A 92 10.579 -2.805 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.720 -4.025 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.890 -3.863 12.278 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.540 -2.354 12.963 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.926 -2.369 12.213 1.00 0.00 H new ATOM 1483 N GLY A 93 9.969 -1.304 8.196 1.00 0.00 N ATOM 1484 CA GLY A 93 10.618 -1.128 6.911 1.00 0.00 C ATOM 1485 C GLY A 93 11.549 -2.274 6.569 1.00 0.00 C ATOM 1486 O GLY A 93 11.908 -3.072 7.435 1.00 0.00 O ATOM 0 H GLY A 93 9.166 -1.933 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.859 -1.036 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.182 -0.195 6.917 1.00 0.00 H new ATOM 1490 N PHE A 94 11.943 -2.356 5.302 1.00 0.00 N ATOM 1491 CA PHE A 94 12.839 -3.414 4.846 1.00 0.00 C ATOM 1492 C PHE A 94 13.222 -3.209 3.384 1.00 0.00 C ATOM 1493 O PHE A 94 14.382 -3.378 3.007 1.00 0.00 O ATOM 1494 CB PHE A 94 12.179 -4.782 5.023 1.00 0.00 C ATOM 1495 CG PHE A 94 13.139 -5.863 5.430 1.00 0.00 C ATOM 1496 CD1 PHE A 94 13.929 -6.496 4.485 1.00 0.00 C ATOM 1497 CD2 PHE A 94 13.251 -6.247 6.757 1.00 0.00 C ATOM 1498 CE1 PHE A 94 14.814 -7.492 4.856 1.00 0.00 C ATOM 1499 CE2 PHE A 94 14.133 -7.242 7.133 1.00 0.00 C ATOM 1500 CZ PHE A 94 14.917 -7.865 6.182 1.00 0.00 C ATOM 0 H PHE A 94 11.656 -1.703 4.573 1.00 0.00 H new ATOM 0 HA PHE A 94 13.745 -3.374 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.394 -4.703 5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.698 -5.068 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 94 13.853 -6.209 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.642 -5.763 7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 94 15.424 -7.978 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 94 14.209 -7.532 8.170 1.00 0.00 H new ATOM 0 HZ PHE A 94 15.609 -8.641 6.474 1.00 0.00 H new ATOM 1510 N VAL A 95 12.240 -2.844 2.565 1.00 0.00 N ATOM 1511 CA VAL A 95 12.476 -2.616 1.142 1.00 0.00 C ATOM 1512 C VAL A 95 13.584 -1.589 0.926 1.00 0.00 C ATOM 1513 O VAL A 95 13.359 -0.385 1.036 1.00 0.00 O ATOM 1514 CB VAL A 95 11.198 -2.134 0.429 1.00 0.00 C ATOM 1515 CG1 VAL A 95 10.235 -3.294 0.218 1.00 0.00 C ATOM 1516 CG2 VAL A 95 10.533 -1.012 1.213 1.00 0.00 C ATOM 0 H VAL A 95 11.275 -2.700 2.861 1.00 0.00 H new ATOM 0 HA VAL A 95 12.781 -3.572 0.716 1.00 0.00 H new ATOM 0 HB VAL A 95 11.478 -1.741 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.338 -2.935 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.714 -4.058 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.962 -3.720 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.633 -0.687 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.267 -1.371 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.223 -0.173 1.303 1.00 0.00 H new ATOM 1526 N GLY A 96 14.783 -2.077 0.619 1.00 0.00 N ATOM 1527 CA GLY A 96 15.910 -1.190 0.395 1.00 0.00 C ATOM 1528 C GLY A 96 15.938 -0.619 -1.009 1.00 0.00 C ATOM 1529 O GLY A 96 15.287 0.388 -1.288 1.00 0.00 O ATOM 0 H GLY A 96 14.993 -3.070 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.871 -0.372 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.837 -1.733 0.580 1.00 0.00 H new ATOM 1533 N ALA A 97 16.698 -1.259 -1.892 1.00 0.00 N ATOM 1534 CA ALA A 97 16.817 -0.808 -3.274 1.00 0.00 C ATOM 1535 C ALA A 97 17.460 0.574 -3.344 1.00 0.00 C ATOM 1536 O ALA A 97 18.654 0.700 -3.614 1.00 0.00 O ATOM 1537 CB ALA A 97 15.452 -0.797 -3.949 1.00 0.00 C ATOM 0 H ALA A 97 17.242 -2.094 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 97 17.462 -1.508 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 97 15.558 -0.458 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.033 -1.803 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 97 14.786 -0.122 -3.412 1.00 0.00 H new ATOM 1543 N GLY A 98 16.663 1.607 -3.093 1.00 0.00 N ATOM 1544 CA GLY A 98 17.173 2.967 -3.126 1.00 0.00 C ATOM 1545 C GLY A 98 16.855 3.726 -1.854 1.00 0.00 C ATOM 1546 O GLY A 98 17.732 4.355 -1.260 1.00 0.00 O ATOM 0 H GLY A 98 15.672 1.527 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.253 2.945 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 98 16.745 3.494 -3.979 1.00 0.00 H new ATOM 1550 N MET A 99 15.597 3.662 -1.434 1.00 0.00 N ATOM 1551 CA MET A 99 15.154 4.338 -0.219 1.00 0.00 C ATOM 1552 C MET A 99 14.401 3.363 0.682 1.00 0.00 C ATOM 1553 O MET A 99 14.158 2.219 0.300 1.00 0.00 O ATOM 1554 CB MET A 99 14.267 5.532 -0.572 1.00 0.00 C ATOM 1555 CG MET A 99 14.232 6.607 0.504 1.00 0.00 C ATOM 1556 SD MET A 99 14.578 8.254 -0.142 1.00 0.00 S ATOM 1557 CE MET A 99 16.297 8.077 -0.615 1.00 0.00 C ATOM 0 H MET A 99 14.862 3.147 -1.919 1.00 0.00 H new ATOM 0 HA MET A 99 16.029 4.703 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 99 14.621 5.974 -1.503 1.00 0.00 H new ATOM 0 HB3 MET A 99 13.252 5.178 -0.753 1.00 0.00 H new ATOM 0 HG2 MET A 99 13.251 6.607 0.979 1.00 0.00 H new ATOM 0 HG3 MET A 99 14.961 6.364 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 99 16.747 9.063 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 99 16.831 7.521 0.156 1.00 0.00 H new ATOM 0 HE3 MET A 99 16.361 7.538 -1.560 1.00 0.00 H new ATOM 1567 N ARG A 100 14.037 3.813 1.880 1.00 0.00 N ATOM 1568 CA ARG A 100 13.317 2.961 2.821 1.00 0.00 C ATOM 1569 C ARG A 100 12.055 2.378 2.179 1.00 0.00 C ATOM 1570 O ARG A 100 11.840 1.167 2.216 1.00 0.00 O ATOM 1571 CB ARG A 100 12.972 3.734 4.099 1.00 0.00 C ATOM 1572 CG ARG A 100 12.100 2.952 5.071 1.00 0.00 C ATOM 1573 CD ARG A 100 12.848 1.772 5.672 1.00 0.00 C ATOM 1574 NE ARG A 100 13.232 2.019 7.061 1.00 0.00 N ATOM 1575 CZ ARG A 100 14.389 2.568 7.430 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.286 2.927 6.520 1.00 0.00 N ATOM 1577 NH2 ARG A 100 14.648 2.760 8.716 1.00 0.00 N ATOM 0 H ARG A 100 14.227 4.756 2.220 1.00 0.00 H new ATOM 0 HA ARG A 100 13.969 2.131 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.896 4.018 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.460 4.657 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.761 3.613 5.869 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.210 2.594 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.221 0.882 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.740 1.568 5.080 1.00 0.00 H new ATOM 0 HE ARG A 100 12.573 1.755 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.093 2.783 5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.169 3.346 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.962 2.488 9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.533 3.180 9.001 1.00 0.00 H new ATOM 1591 N PRO A 101 11.206 3.226 1.571 1.00 0.00 N ATOM 1592 CA PRO A 101 9.977 2.779 0.915 1.00 0.00 C ATOM 1593 C PRO A 101 10.228 2.329 -0.521 1.00 0.00 C ATOM 1594 O PRO A 101 11.188 2.766 -1.156 1.00 0.00 O ATOM 1595 CB PRO A 101 9.123 4.040 0.933 1.00 0.00 C ATOM 1596 CG PRO A 101 10.108 5.146 0.775 1.00 0.00 C ATOM 1597 CD PRO A 101 11.373 4.689 1.464 1.00 0.00 C ATOM 0 HA PRO A 101 9.522 1.920 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.392 4.038 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.566 4.132 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.293 5.354 -0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.733 6.067 1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.260 4.949 0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.484 5.152 2.445 1.00 0.00 H new ATOM 1605 N VAL A 102 9.362 1.460 -1.031 1.00 0.00 N ATOM 1606 CA VAL A 102 9.498 0.962 -2.395 1.00 0.00 C ATOM 1607 C VAL A 102 8.150 0.492 -2.947 1.00 0.00 C ATOM 1608 O VAL A 102 7.573 -0.476 -2.452 1.00 0.00 O ATOM 1609 CB VAL A 102 10.512 -0.198 -2.473 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.642 -0.708 -3.901 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.865 0.243 -1.934 1.00 0.00 C ATOM 0 H VAL A 102 8.561 1.087 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 102 9.864 1.791 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 102 10.144 -1.017 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.362 -1.526 -3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.673 -1.065 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.984 0.101 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.569 -0.587 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.237 1.080 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.759 0.552 -0.894 1.00 0.00 H new ATOM 1621 N PRO A 103 7.628 1.175 -3.985 1.00 0.00 N ATOM 1622 CA PRO A 103 6.347 0.818 -4.596 1.00 0.00 C ATOM 1623 C PRO A 103 6.451 -0.418 -5.483 1.00 0.00 C ATOM 1624 O PRO A 103 7.529 -0.751 -5.976 1.00 0.00 O ATOM 1625 CB PRO A 103 6.005 2.049 -5.433 1.00 0.00 C ATOM 1626 CG PRO A 103 7.328 2.629 -5.801 1.00 0.00 C ATOM 1627 CD PRO A 103 8.244 2.346 -4.640 1.00 0.00 C ATOM 0 HA PRO A 103 5.593 0.567 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.430 1.780 -6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 103 5.404 2.760 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.710 2.179 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.247 3.701 -5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.259 2.130 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.306 3.197 -3.962 1.00 0.00 H new ATOM 1635 N LEU A 104 5.324 -1.094 -5.684 1.00 0.00 N ATOM 1636 CA LEU A 104 5.290 -2.292 -6.513 1.00 0.00 C ATOM 1637 C LEU A 104 5.008 -1.936 -7.969 1.00 0.00 C ATOM 1638 O LEU A 104 4.295 -0.975 -8.257 1.00 0.00 O ATOM 1639 CB LEU A 104 4.227 -3.265 -5.999 1.00 0.00 C ATOM 1640 CG LEU A 104 4.253 -3.518 -4.489 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.022 -2.922 -3.823 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.352 -5.008 -4.197 1.00 0.00 C ATOM 0 H LEU A 104 4.423 -0.832 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 104 6.267 -2.771 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.244 -2.881 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.350 -4.218 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 104 5.135 -3.029 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.060 -3.113 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.998 -1.847 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.125 -3.379 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.369 -5.167 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.491 -5.521 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.267 -5.405 -4.637 1.00 0.00 H new ATOM 1654 N SER A 105 5.569 -2.720 -8.885 1.00 0.00 N ATOM 1655 CA SER A 105 5.377 -2.487 -10.310 1.00 0.00 C ATOM 1656 C SER A 105 3.949 -2.829 -10.730 1.00 0.00 C ATOM 1657 O SER A 105 3.292 -3.660 -10.104 1.00 0.00 O ATOM 1658 CB SER A 105 6.372 -3.318 -11.124 1.00 0.00 C ATOM 1659 OG SER A 105 6.843 -2.596 -12.248 1.00 0.00 O ATOM 0 H SER A 105 6.160 -3.522 -8.664 1.00 0.00 H new ATOM 0 HA SER A 105 5.552 -1.429 -10.506 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.214 -3.603 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.895 -4.240 -11.455 1.00 0.00 H new ATOM 0 HG SER A 105 7.478 -3.149 -12.749 1.00 0.00 H new ATOM 1665 N PRO A 106 3.449 -2.189 -11.803 1.00 0.00 N ATOM 1666 CA PRO A 106 2.092 -2.429 -12.303 1.00 0.00 C ATOM 1667 C PRO A 106 1.808 -3.912 -12.518 1.00 0.00 C ATOM 1668 O PRO A 106 0.696 -4.384 -12.282 1.00 0.00 O ATOM 1669 CB PRO A 106 2.068 -1.680 -13.637 1.00 0.00 C ATOM 1670 CG PRO A 106 3.090 -0.608 -13.488 1.00 0.00 C ATOM 1671 CD PRO A 106 4.166 -1.182 -12.608 1.00 0.00 C ATOM 0 HA PRO A 106 1.332 -2.094 -11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.308 -2.343 -14.468 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.082 -1.262 -13.838 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.493 -0.316 -14.458 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.656 0.286 -13.041 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.967 -1.632 -13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.622 -0.417 -11.980 1.00 0.00 H new ATOM 1679 N ASP A 107 2.823 -4.645 -12.969 1.00 0.00 N ATOM 1680 CA ASP A 107 2.682 -6.075 -13.216 1.00 0.00 C ATOM 1681 C ASP A 107 2.432 -6.832 -11.915 1.00 0.00 C ATOM 1682 O ASP A 107 1.687 -7.811 -11.888 1.00 0.00 O ATOM 1683 CB ASP A 107 3.934 -6.620 -13.904 1.00 0.00 C ATOM 1684 CG ASP A 107 5.211 -6.191 -13.209 1.00 0.00 C ATOM 1685 OD1 ASP A 107 5.375 -6.519 -12.015 1.00 0.00 O ATOM 1686 OD2 ASP A 107 6.046 -5.529 -13.859 1.00 0.00 O ATOM 0 H ASP A 107 3.751 -4.272 -13.170 1.00 0.00 H new ATOM 0 HA ASP A 107 1.823 -6.222 -13.870 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.886 -7.709 -13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.954 -6.278 -14.939 1.00 0.00 H new ATOM 1691 N GLU A 108 3.061 -6.370 -10.838 1.00 0.00 N ATOM 1692 CA GLU A 108 2.906 -7.004 -9.533 1.00 0.00 C ATOM 1693 C GLU A 108 1.650 -6.499 -8.829 1.00 0.00 C ATOM 1694 O GLU A 108 0.944 -7.267 -8.176 1.00 0.00 O ATOM 1695 CB GLU A 108 4.135 -6.736 -8.663 1.00 0.00 C ATOM 1696 CG GLU A 108 4.438 -7.852 -7.677 1.00 0.00 C ATOM 1697 CD GLU A 108 5.924 -8.027 -7.434 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.582 -8.712 -8.245 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.430 -7.480 -6.431 1.00 0.00 O ATOM 0 H GLU A 108 3.682 -5.561 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 108 2.807 -8.078 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.001 -6.588 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.985 -5.807 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.941 -7.640 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.022 -8.787 -8.053 1.00 0.00 H new ATOM 1706 N VAL A 109 1.378 -5.206 -8.970 1.00 0.00 N ATOM 1707 CA VAL A 109 0.205 -4.602 -8.352 1.00 0.00 C ATOM 1708 C VAL A 109 -1.075 -5.274 -8.834 1.00 0.00 C ATOM 1709 O VAL A 109 -1.914 -5.680 -8.031 1.00 0.00 O ATOM 1710 CB VAL A 109 0.126 -3.093 -8.656 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.026 -2.452 -7.896 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.443 -2.409 -8.319 1.00 0.00 C ATOM 0 H VAL A 109 1.954 -4.557 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 109 0.304 -4.744 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.059 -2.967 -9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.065 -1.387 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.964 -2.921 -8.194 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.876 -2.588 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.367 -1.344 -8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.663 -2.545 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.244 -2.847 -8.915 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.217 -5.388 -10.150 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.397 -6.013 -10.740 1.00 0.00 C ATOM 1724 C ARG A 110 -2.628 -7.403 -10.159 1.00 0.00 C ATOM 1725 O ARG A 110 -3.764 -7.867 -10.066 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.247 -6.100 -12.261 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.575 -6.191 -12.998 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.544 -7.267 -14.073 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.704 -7.189 -14.959 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.113 -8.188 -15.735 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.458 -9.344 -15.742 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -6.180 -8.034 -16.507 1.00 0.00 N ATOM 0 H ARG A 110 -0.531 -5.057 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.262 -5.394 -10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.703 -5.224 -12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.642 -6.972 -12.509 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.372 -6.408 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.807 -5.228 -13.453 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.632 -7.166 -14.661 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.513 -8.249 -13.602 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.231 -6.316 -14.983 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.637 -9.468 -15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.776 -10.107 -16.339 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.687 -7.149 -16.506 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.494 -8.801 -17.102 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.543 -8.064 -9.766 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.635 -9.400 -9.191 1.00 0.00 C ATOM 1748 C HIS A 111 -2.260 -9.347 -7.802 1.00 0.00 C ATOM 1749 O HIS A 111 -3.255 -10.020 -7.534 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.250 -10.047 -9.118 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.250 -11.501 -9.475 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.086 -12.505 -8.545 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.397 -12.120 -10.671 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.130 -13.678 -9.152 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.319 -13.472 -10.441 1.00 0.00 N ATOM 0 H HIS A 111 -0.594 -7.697 -9.835 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.273 -10.004 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.426 -9.516 -9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.145 -9.929 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.547 -11.640 -11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.029 -14.641 -8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.395 -14.199 -11.152 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.677 -8.538 -6.924 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.191 -8.398 -5.568 1.00 0.00 C ATOM 1766 C ILE A 112 -3.561 -7.726 -5.575 1.00 0.00 C ATOM 1767 O ILE A 112 -4.372 -7.936 -4.674 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.221 -7.598 -4.672 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.152 -6.134 -5.115 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.160 -8.239 -4.695 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -0.145 -5.307 -4.345 1.00 0.00 C ATOM 0 H ILE A 112 -0.853 -7.972 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.288 -9.402 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.595 -7.618 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.903 -6.097 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.138 -5.684 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.837 -7.667 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.092 -9.262 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.540 -8.247 -5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.155 -4.282 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.404 -5.311 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.851 -5.731 -4.477 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.816 -6.926 -6.609 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.093 -6.236 -6.744 1.00 0.00 C ATOM 1785 C LEU A 113 -6.192 -7.227 -7.116 1.00 0.00 C ATOM 1786 O LEU A 113 -7.353 -7.055 -6.744 1.00 0.00 O ATOM 1787 CB LEU A 113 -4.994 -5.142 -7.811 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.255 -3.724 -7.306 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.228 -3.334 -6.253 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.242 -2.737 -8.464 1.00 0.00 C ATOM 0 H LEU A 113 -3.155 -6.741 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.342 -5.775 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.999 -5.177 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.705 -5.365 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.242 -3.697 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.430 -2.321 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.288 -4.025 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.229 -3.376 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.430 -1.732 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.269 -2.765 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.018 -3.006 -9.181 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.814 -8.270 -7.853 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.765 -9.295 -8.275 1.00 0.00 C ATOM 1804 C GLU A 114 -7.483 -9.890 -7.071 1.00 0.00 C ATOM 1805 O GLU A 114 -8.692 -10.116 -7.102 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.046 -10.397 -9.054 1.00 0.00 C ATOM 1807 CG GLU A 114 -6.986 -11.304 -9.833 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.436 -12.506 -9.027 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.340 -12.350 -8.180 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -6.882 -13.605 -9.244 1.00 0.00 O ATOM 0 H GLU A 114 -4.857 -8.427 -8.170 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.505 -8.828 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.339 -9.939 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.464 -11.002 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.860 -10.733 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.487 -11.645 -10.740 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.726 -10.135 -6.008 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.284 -10.696 -4.785 1.00 0.00 C ATOM 1819 C VAL A 115 -7.866 -9.599 -3.906 1.00 0.00 C ATOM 1820 O VAL A 115 -8.796 -9.832 -3.134 1.00 0.00 O ATOM 1821 CB VAL A 115 -6.222 -11.473 -3.983 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -6.869 -12.233 -2.835 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.448 -12.418 -4.893 1.00 0.00 C ATOM 0 H VAL A 115 -5.723 -9.953 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.074 -11.386 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.517 -10.757 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.103 -12.775 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.369 -11.530 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.599 -12.939 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.703 -12.957 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.137 -13.130 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.950 -11.844 -5.674 1.00 0.00 H new ATOM 1833 N SER A 116 -7.317 -8.400 -4.042 1.00 0.00 N ATOM 1834 CA SER A 116 -7.775 -7.250 -3.276 1.00 0.00 C ATOM 1835 C SER A 116 -9.282 -7.077 -3.412 1.00 0.00 C ATOM 1836 O SER A 116 -10.046 -7.362 -2.488 1.00 0.00 O ATOM 1837 CB SER A 116 -7.072 -5.993 -3.781 1.00 0.00 C ATOM 1838 OG SER A 116 -7.792 -4.822 -3.432 1.00 0.00 O ATOM 0 H SER A 116 -6.548 -8.198 -4.681 1.00 0.00 H new ATOM 0 HA SER A 116 -7.537 -7.413 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.067 -5.943 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.963 -6.046 -4.864 1.00 0.00 H new ATOM 0 HG SER A 116 -7.516 -4.083 -4.013 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.692 -6.604 -4.578 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.101 -6.387 -4.849 1.00 0.00 C ATOM 1846 C GLY A 117 -11.331 -5.264 -5.842 1.00 0.00 C ATOM 1847 O GLY A 117 -12.269 -4.481 -5.699 1.00 0.00 O ATOM 0 H GLY A 117 -9.069 -6.364 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.540 -7.307 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.616 -6.156 -3.917 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.470 -5.185 -6.852 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.578 -4.149 -7.875 1.00 0.00 C ATOM 1853 C LEU A 118 -10.708 -4.767 -9.265 1.00 0.00 C ATOM 1854 O LEU A 118 -11.444 -4.262 -10.112 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.358 -3.223 -7.829 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.780 -2.960 -6.433 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.792 -1.804 -6.480 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.894 -2.672 -5.433 1.00 0.00 C ATOM 0 H LEU A 118 -9.688 -5.827 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.476 -3.566 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.574 -3.653 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.632 -2.267 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.252 -3.855 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.390 -1.628 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.978 -2.049 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.300 -0.905 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.462 -2.488 -4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.452 -1.793 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.566 -3.529 -5.380 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.987 -5.861 -9.490 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.021 -6.547 -10.778 1.00 0.00 C ATOM 1872 C LEU A 119 -11.262 -7.427 -10.891 1.00 0.00 C ATOM 1873 O LEU A 119 -11.831 -7.578 -11.971 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.757 -7.392 -10.959 1.00 0.00 C ATOM 1875 CG LEU A 119 -7.913 -7.041 -12.184 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -8.759 -7.087 -13.447 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -7.274 -5.670 -12.016 1.00 0.00 C ATOM 0 H LEU A 119 -9.373 -6.291 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.061 -5.795 -11.566 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.138 -7.287 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.046 -8.441 -11.025 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.118 -7.781 -12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.141 -6.834 -14.308 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.167 -8.089 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.576 -6.370 -13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.677 -5.436 -12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.053 -4.918 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.633 -5.673 -11.134 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.674 -8.005 -9.767 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.846 -8.864 -9.761 1.00 0.00 C ATOM 1891 C GLY A 120 -12.494 -10.321 -9.538 1.00 0.00 C ATOM 1892 O GLY A 120 -13.368 -11.184 -9.767 1.00 0.00 O ATOM 1893 OXT GLY A 120 -11.347 -10.600 -9.134 1.00 0.00 O ATOM 0 H GLY A 120 -11.219 -7.895 -8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.530 -8.535 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.373 -8.762 -10.710 1.00 0.00 H new TER 1897 GLY A 120