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 : no HE2:sc= -7.42! C(o=-7.5!,f=-7.6!) USER MOD Set 1.2: A 65 TYR OH : rot 165:sc= -0.0654 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.197 F(o=-7.3,f=-6.3) USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -6.07! C(o=-7.3!,f=-6.3!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 79 ASN : amide:sc= -2.26 K(o=-2.3,f=-8.7!) USER MOD Single : A 2 SER OG : rot -24:sc= 0.49 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0779 USER MOD Single : A 10 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -121:sc= 0.0363 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.51) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0272 (180deg=-0.204) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -0.397 (180deg=-1.51!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -146:sc= -9.65! (180deg=-12.8!) USER MOD Single : A 88 THR OG1 : rot -94:sc= 0.925 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 116 SER OG : rot -55:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -2.806 9.703 -11.438 1.00 0.00 N ATOM 2 CA SER A 2 -2.639 8.348 -10.852 1.00 0.00 C ATOM 3 C SER A 2 -1.862 8.406 -9.541 1.00 0.00 C ATOM 4 O SER A 2 -1.463 9.480 -9.091 1.00 0.00 O ATOM 5 CB SER A 2 -1.901 7.467 -11.864 1.00 0.00 C ATOM 6 OG SER A 2 -0.897 8.201 -12.543 1.00 0.00 O ATOM 0 HA SER A 2 -3.621 7.929 -10.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.450 6.618 -11.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.611 7.063 -12.585 1.00 0.00 H new ATOM 0 HG SER A 2 -1.119 9.155 -12.523 1.00 0.00 H new ATOM 14 N ILE A 3 -1.650 7.243 -8.935 1.00 0.00 N ATOM 15 CA ILE A 3 -0.918 7.158 -7.676 1.00 0.00 C ATOM 16 C ILE A 3 0.019 5.952 -7.670 1.00 0.00 C ATOM 17 O ILE A 3 0.220 5.314 -8.703 1.00 0.00 O ATOM 18 CB ILE A 3 -1.881 7.080 -6.471 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.670 5.769 -6.486 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.828 8.270 -6.474 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.612 5.640 -7.663 1.00 0.00 C ATOM 0 H ILE A 3 -1.975 6.346 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.323 8.067 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.287 7.107 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.970 4.934 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.243 5.690 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.501 8.202 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.252 9.193 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.411 8.269 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.136 4.686 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.336 6.454 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.043 5.687 -8.591 1.00 0.00 H new ATOM 33 N GLU A 4 0.603 5.651 -6.513 1.00 0.00 N ATOM 34 CA GLU A 4 1.528 4.526 -6.407 1.00 0.00 C ATOM 35 C GLU A 4 1.254 3.676 -5.169 1.00 0.00 C ATOM 36 O GLU A 4 0.790 4.174 -4.140 1.00 0.00 O ATOM 37 CB GLU A 4 2.972 5.031 -6.376 1.00 0.00 C ATOM 38 CG GLU A 4 3.481 5.500 -7.730 1.00 0.00 C ATOM 39 CD GLU A 4 4.362 4.469 -8.409 1.00 0.00 C ATOM 40 OE1 GLU A 4 5.034 3.698 -7.693 1.00 0.00 O ATOM 41 OE2 GLU A 4 4.379 4.433 -9.657 1.00 0.00 O ATOM 0 H GLU A 4 0.455 6.164 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 4 1.377 3.897 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.045 5.854 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.619 4.234 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.632 5.728 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.043 6.426 -7.603 1.00 0.00 H new ATOM 48 N TRP A 5 1.561 2.386 -5.280 1.00 0.00 N ATOM 49 CA TRP A 5 1.372 1.446 -4.183 1.00 0.00 C ATOM 50 C TRP A 5 2.692 1.193 -3.462 1.00 0.00 C ATOM 51 O TRP A 5 3.594 0.558 -4.010 1.00 0.00 O ATOM 52 CB TRP A 5 0.819 0.117 -4.705 1.00 0.00 C ATOM 53 CG TRP A 5 -0.632 0.157 -5.082 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.161 0.574 -6.271 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.741 -0.249 -4.272 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.527 0.443 -6.252 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.907 -0.056 -5.035 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.861 -0.757 -2.976 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.173 -0.356 -4.547 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.121 -1.054 -2.491 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.263 -0.854 -3.276 1.00 0.00 C ATOM 0 H TRP A 5 1.945 1.967 -6.127 1.00 0.00 H new ATOM 0 HA TRP A 5 0.659 1.883 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.400 -0.188 -5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.963 -0.648 -3.942 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.587 0.952 -7.105 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.156 0.679 -7.019 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.985 -0.915 -2.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.055 -0.201 -5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.226 -1.447 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.234 -1.098 -2.870 1.00 0.00 H new ATOM 72 N TYR A 6 2.803 1.687 -2.234 1.00 0.00 N ATOM 73 CA TYR A 6 4.019 1.505 -1.449 1.00 0.00 C ATOM 74 C TYR A 6 3.851 0.366 -0.451 1.00 0.00 C ATOM 75 O TYR A 6 2.808 0.238 0.189 1.00 0.00 O ATOM 76 CB TYR A 6 4.378 2.800 -0.721 1.00 0.00 C ATOM 77 CG TYR A 6 5.142 3.781 -1.582 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.479 4.614 -2.474 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.526 3.871 -1.505 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.174 5.510 -3.265 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.227 4.764 -2.292 1.00 0.00 C ATOM 82 CZ TYR A 6 6.547 5.582 -3.171 1.00 0.00 C ATOM 83 OH TYR A 6 7.242 6.472 -3.955 1.00 0.00 O ATOM 0 H TYR A 6 2.069 2.215 -1.762 1.00 0.00 H new ATOM 0 HA TYR A 6 4.831 1.248 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.463 3.275 -0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.974 2.560 0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.403 4.561 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.063 3.233 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.643 6.151 -3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.303 4.822 -2.220 1.00 0.00 H new ATOM 0 HH TYR A 6 8.200 6.396 -3.765 1.00 0.00 H new ATOM 93 N ALA A 7 4.878 -0.469 -0.332 1.00 0.00 N ATOM 94 CA ALA A 7 4.835 -1.606 0.580 1.00 0.00 C ATOM 95 C ALA A 7 5.797 -1.432 1.750 1.00 0.00 C ATOM 96 O ALA A 7 6.870 -0.843 1.608 1.00 0.00 O ATOM 97 CB ALA A 7 5.147 -2.891 -0.171 1.00 0.00 C ATOM 0 H ALA A 7 5.749 -0.380 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 7 3.827 -1.663 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.112 -3.734 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.411 -3.039 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.142 -2.823 -0.611 1.00 0.00 H new ATOM 103 N VAL A 8 5.403 -1.958 2.906 1.00 0.00 N ATOM 104 CA VAL A 8 6.220 -1.880 4.113 1.00 0.00 C ATOM 105 C VAL A 8 6.205 -3.217 4.846 1.00 0.00 C ATOM 106 O VAL A 8 5.308 -4.037 4.648 1.00 0.00 O ATOM 107 CB VAL A 8 5.736 -0.752 5.060 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.220 -0.633 5.028 1.00 0.00 C ATOM 109 CG2 VAL A 8 6.226 -0.964 6.490 1.00 0.00 C ATOM 0 H VAL A 8 4.516 -2.446 3.033 1.00 0.00 H new ATOM 0 HA VAL A 8 7.240 -1.646 3.807 1.00 0.00 H new ATOM 0 HB VAL A 8 6.167 0.182 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.903 0.165 5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.894 -0.403 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.774 -1.575 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.866 -0.152 7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.847 -1.914 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.316 -0.977 6.503 1.00 0.00 H new ATOM 119 N HIS A 9 7.204 -3.428 5.690 1.00 0.00 N ATOM 120 CA HIS A 9 7.311 -4.667 6.453 1.00 0.00 C ATOM 121 C HIS A 9 7.276 -4.388 7.952 1.00 0.00 C ATOM 122 O HIS A 9 8.056 -3.583 8.461 1.00 0.00 O ATOM 123 CB HIS A 9 8.599 -5.412 6.093 1.00 0.00 C ATOM 124 CG HIS A 9 8.974 -5.317 4.645 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.176 -6.423 3.848 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.186 -4.240 3.849 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.497 -6.032 2.627 1.00 0.00 C ATOM 128 NE2 HIS A 9 9.509 -4.712 2.602 1.00 0.00 N ATOM 0 H HIS A 9 7.953 -2.758 5.865 1.00 0.00 H new ATOM 0 HA HIS A 9 6.456 -5.293 6.195 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.416 -5.016 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.486 -6.463 6.360 1.00 0.00 H new ATOM 0 HD1 HIS A 9 9.091 -7.393 4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.114 -3.203 4.142 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.713 -6.682 1.792 1.00 0.00 H new ATOM 137 N THR A 10 6.367 -5.058 8.652 1.00 0.00 N ATOM 138 CA THR A 10 6.230 -4.884 10.093 1.00 0.00 C ATOM 139 C THR A 10 6.165 -6.235 10.795 1.00 0.00 C ATOM 140 O THR A 10 6.278 -7.282 10.159 1.00 0.00 O ATOM 141 CB THR A 10 4.979 -4.064 10.412 1.00 0.00 C ATOM 142 OG1 THR A 10 3.841 -4.617 9.774 1.00 0.00 O ATOM 143 CG2 THR A 10 5.086 -2.615 9.987 1.00 0.00 C ATOM 0 H THR A 10 5.714 -5.727 8.244 1.00 0.00 H new ATOM 0 HA THR A 10 7.106 -4.347 10.458 1.00 0.00 H new ATOM 0 HB THR A 10 4.880 -4.100 11.497 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.136 -3.938 9.716 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.165 -2.092 10.243 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.925 -2.146 10.501 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.246 -2.563 8.910 1.00 0.00 H new ATOM 151 N LEU A 11 5.982 -6.205 12.110 1.00 0.00 N ATOM 152 CA LEU A 11 5.903 -7.429 12.897 1.00 0.00 C ATOM 153 C LEU A 11 4.514 -8.051 12.802 1.00 0.00 C ATOM 154 O LEU A 11 3.504 -7.345 12.797 1.00 0.00 O ATOM 155 CB LEU A 11 6.250 -7.143 14.360 1.00 0.00 C ATOM 156 CG LEU A 11 7.040 -8.247 15.066 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.075 -7.646 16.003 1.00 0.00 C ATOM 158 CD2 LEU A 11 6.100 -9.169 15.828 1.00 0.00 C ATOM 0 H LEU A 11 5.886 -5.347 12.653 1.00 0.00 H new ATOM 0 HA LEU A 11 6.625 -8.138 12.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.826 -6.219 14.407 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.325 -6.971 14.910 1.00 0.00 H new ATOM 0 HG LEU A 11 7.562 -8.835 14.311 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.627 -8.446 16.496 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.766 -7.026 15.432 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.575 -7.034 16.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.678 -9.949 16.324 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.551 -8.594 16.574 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.396 -9.626 15.133 1.00 0.00 H new ATOM 170 N VAL A 12 4.470 -9.378 12.728 1.00 0.00 N ATOM 171 CA VAL A 12 3.206 -10.099 12.635 1.00 0.00 C ATOM 172 C VAL A 12 2.309 -9.786 13.827 1.00 0.00 C ATOM 173 O VAL A 12 2.635 -10.116 14.967 1.00 0.00 O ATOM 174 CB VAL A 12 3.429 -11.622 12.559 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.871 -12.029 11.162 1.00 0.00 C ATOM 176 CG2 VAL A 12 4.448 -12.066 13.599 1.00 0.00 C ATOM 0 H VAL A 12 5.296 -9.976 12.731 1.00 0.00 H new ATOM 0 HA VAL A 12 2.719 -9.767 11.718 1.00 0.00 H new ATOM 0 HB VAL A 12 2.483 -12.119 12.775 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.023 -13.108 11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.103 -11.748 10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.804 -11.523 10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.592 -13.144 13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.397 -11.561 13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.086 -11.811 14.595 1.00 0.00 H new ATOM 186 N GLY A 13 1.180 -9.140 13.558 1.00 0.00 N ATOM 187 CA GLY A 13 0.255 -8.785 14.617 1.00 0.00 C ATOM 188 C GLY A 13 0.186 -7.289 14.842 1.00 0.00 C ATOM 189 O GLY A 13 -0.871 -6.751 15.170 1.00 0.00 O ATOM 0 H GLY A 13 0.889 -8.855 12.623 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.738 -9.159 14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.559 -9.276 15.542 1.00 0.00 H new ATOM 193 N GLN A 14 1.317 -6.615 14.656 1.00 0.00 N ATOM 194 CA GLN A 14 1.382 -5.169 14.833 1.00 0.00 C ATOM 195 C GLN A 14 0.845 -4.449 13.601 1.00 0.00 C ATOM 196 O GLN A 14 0.303 -3.348 13.698 1.00 0.00 O ATOM 197 CB GLN A 14 2.825 -4.734 15.108 1.00 0.00 C ATOM 198 CG GLN A 14 3.071 -4.318 16.549 1.00 0.00 C ATOM 199 CD GLN A 14 3.248 -5.505 17.475 1.00 0.00 C ATOM 200 OE1 GLN A 14 4.120 -6.348 17.263 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.418 -5.578 18.509 1.00 0.00 N ATOM 0 H GLN A 14 2.200 -7.047 14.383 1.00 0.00 H new ATOM 0 HA GLN A 14 0.761 -4.901 15.688 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.497 -5.554 14.856 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.076 -3.902 14.450 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.960 -3.690 16.595 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.234 -3.712 16.897 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.710 -4.857 18.646 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.489 -6.355 19.166 1.00 0.00 H new ATOM 210 N GLU A 15 1.000 -5.080 12.439 1.00 0.00 N ATOM 211 CA GLU A 15 0.530 -4.502 11.184 1.00 0.00 C ATOM 212 C GLU A 15 -0.949 -4.133 11.267 1.00 0.00 C ATOM 213 O GLU A 15 -1.370 -3.101 10.748 1.00 0.00 O ATOM 214 CB GLU A 15 0.757 -5.483 10.032 1.00 0.00 C ATOM 215 CG GLU A 15 0.210 -6.876 10.301 1.00 0.00 C ATOM 216 CD GLU A 15 0.323 -7.789 9.097 1.00 0.00 C ATOM 217 OE1 GLU A 15 0.165 -7.296 7.960 1.00 0.00 O ATOM 218 OE2 GLU A 15 0.570 -8.998 9.291 1.00 0.00 O ATOM 0 H GLU A 15 1.447 -5.991 12.341 1.00 0.00 H new ATOM 0 HA GLU A 15 1.100 -3.592 10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.290 -5.086 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.826 -5.554 9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.748 -7.318 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.836 -6.800 10.598 1.00 0.00 H new ATOM 225 N GLU A 16 -1.731 -4.985 11.925 1.00 0.00 N ATOM 226 CA GLU A 16 -3.163 -4.747 12.076 1.00 0.00 C ATOM 227 C GLU A 16 -3.422 -3.414 12.772 1.00 0.00 C ATOM 228 O GLU A 16 -4.325 -2.669 12.390 1.00 0.00 O ATOM 229 CB GLU A 16 -3.809 -5.886 12.867 1.00 0.00 C ATOM 230 CG GLU A 16 -4.601 -6.853 12.002 1.00 0.00 C ATOM 231 CD GLU A 16 -5.682 -6.163 11.196 1.00 0.00 C ATOM 232 OE1 GLU A 16 -6.587 -5.560 11.811 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.624 -6.224 9.950 1.00 0.00 O ATOM 0 H GLU A 16 -1.398 -5.845 12.361 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.608 -4.708 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.031 -6.437 13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.470 -5.463 13.624 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.921 -7.369 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.056 -7.613 12.637 1.00 0.00 H new ATOM 240 N LYS A 17 -2.625 -3.119 13.793 1.00 0.00 N ATOM 241 CA LYS A 17 -2.769 -1.876 14.541 1.00 0.00 C ATOM 242 C LYS A 17 -2.098 -0.717 13.808 1.00 0.00 C ATOM 243 O LYS A 17 -2.487 0.440 13.969 1.00 0.00 O ATOM 244 CB LYS A 17 -2.172 -2.027 15.942 1.00 0.00 C ATOM 245 CG LYS A 17 -3.214 -2.017 17.050 1.00 0.00 C ATOM 246 CD LYS A 17 -2.671 -2.625 18.334 1.00 0.00 C ATOM 247 CE LYS A 17 -2.386 -1.559 19.380 1.00 0.00 C ATOM 248 NZ LYS A 17 -2.328 -2.130 20.754 1.00 0.00 N ATOM 0 H LYS A 17 -1.872 -3.724 14.122 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.833 -1.656 14.630 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.611 -2.960 15.990 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.462 -1.218 16.115 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.535 -0.993 17.239 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.094 -2.573 16.727 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.390 -3.342 18.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.757 -3.177 18.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.440 -1.069 19.150 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.160 -0.793 19.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.132 -1.371 21.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.239 -2.575 20.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.572 -2.843 20.802 1.00 0.00 H new ATOM 262 N ALA A 18 -1.089 -1.035 13.002 1.00 0.00 N ATOM 263 CA ALA A 18 -0.368 -0.018 12.247 1.00 0.00 C ATOM 264 C ALA A 18 -1.305 0.743 11.315 1.00 0.00 C ATOM 265 O ALA A 18 -1.362 1.972 11.345 1.00 0.00 O ATOM 266 CB ALA A 18 0.764 -0.655 11.452 1.00 0.00 C ATOM 0 H ALA A 18 -0.754 -1.987 12.856 1.00 0.00 H new ATOM 0 HA ALA A 18 0.054 0.694 12.957 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.294 0.116 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.456 -1.148 12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.353 -1.389 10.759 1.00 0.00 H new ATOM 272 N LYS A 19 -2.036 0.005 10.487 1.00 0.00 N ATOM 273 CA LYS A 19 -2.971 0.611 9.546 1.00 0.00 C ATOM 274 C LYS A 19 -4.034 1.423 10.281 1.00 0.00 C ATOM 275 O LYS A 19 -4.478 2.464 9.798 1.00 0.00 O ATOM 276 CB LYS A 19 -3.637 -0.468 8.689 1.00 0.00 C ATOM 277 CG LYS A 19 -4.534 -1.407 9.477 1.00 0.00 C ATOM 278 CD LYS A 19 -5.985 -0.957 9.434 1.00 0.00 C ATOM 279 CE LYS A 19 -6.773 -1.503 10.614 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.479 -2.768 10.271 1.00 0.00 N ATOM 0 H LYS A 19 -1.999 -1.014 10.448 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.410 1.284 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.226 0.013 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.864 -1.052 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.452 -2.416 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.196 -1.451 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.030 0.132 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.443 -1.291 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.098 -1.679 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.499 -0.759 10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.502 -2.645 10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.296 -3.009 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.133 -3.535 10.882 1.00 0.00 H new ATOM 294 N ALA A 20 -4.436 0.939 11.451 1.00 0.00 N ATOM 295 CA ALA A 20 -5.446 1.619 12.253 1.00 0.00 C ATOM 296 C ALA A 20 -4.916 2.944 12.788 1.00 0.00 C ATOM 297 O ALA A 20 -5.497 4.001 12.543 1.00 0.00 O ATOM 298 CB ALA A 20 -5.898 0.727 13.399 1.00 0.00 C ATOM 0 H ALA A 20 -4.078 0.078 11.865 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.303 1.831 11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.652 1.247 13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.323 -0.193 12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.044 0.487 14.032 1.00 0.00 H new ATOM 304 N ASN A 21 -3.809 2.881 13.521 1.00 0.00 N ATOM 305 CA ASN A 21 -3.201 4.078 14.091 1.00 0.00 C ATOM 306 C ASN A 21 -2.741 5.028 12.990 1.00 0.00 C ATOM 307 O ASN A 21 -2.828 6.249 13.133 1.00 0.00 O ATOM 308 CB ASN A 21 -2.016 3.699 14.982 1.00 0.00 C ATOM 309 CG ASN A 21 -2.446 3.301 16.379 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.465 2.635 16.562 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.671 3.711 17.377 1.00 0.00 N ATOM 0 H ASN A 21 -3.315 2.014 13.734 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.952 4.586 14.696 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.470 2.874 14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.327 4.542 15.043 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.912 3.475 18.340 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.835 4.261 17.181 1.00 0.00 H new ATOM 318 N LEU A 22 -2.252 4.462 11.893 1.00 0.00 N ATOM 319 CA LEU A 22 -1.778 5.258 10.766 1.00 0.00 C ATOM 320 C LEU A 22 -2.945 5.935 10.053 1.00 0.00 C ATOM 321 O LEU A 22 -2.900 7.131 9.767 1.00 0.00 O ATOM 322 CB LEU A 22 -1.002 4.379 9.783 1.00 0.00 C ATOM 323 CG LEU A 22 -0.542 5.083 8.506 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.384 6.243 8.841 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.150 4.099 7.575 1.00 0.00 C ATOM 0 H LEU A 22 -2.173 3.454 11.759 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.113 6.031 11.151 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.127 3.976 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.628 3.531 9.506 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.420 5.480 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.702 6.733 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.144 6.960 9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.258 5.869 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.471 4.617 6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.019 3.673 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.543 3.301 7.309 1.00 0.00 H new ATOM 337 N GLU A 23 -3.985 5.160 9.768 1.00 0.00 N ATOM 338 CA GLU A 23 -5.165 5.683 9.087 1.00 0.00 C ATOM 339 C GLU A 23 -5.804 6.814 9.889 1.00 0.00 C ATOM 340 O GLU A 23 -6.527 7.643 9.338 1.00 0.00 O ATOM 341 CB GLU A 23 -6.185 4.568 8.855 1.00 0.00 C ATOM 342 CG GLU A 23 -5.898 3.729 7.620 1.00 0.00 C ATOM 343 CD GLU A 23 -6.951 2.667 7.380 1.00 0.00 C ATOM 344 OE1 GLU A 23 -7.045 1.727 8.199 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.685 2.773 6.375 1.00 0.00 O ATOM 0 H GLU A 23 -4.036 4.167 9.998 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.847 6.081 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.205 3.918 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.178 5.008 8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.839 4.381 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.924 3.252 7.728 1.00 0.00 H new ATOM 352 N LYS A 24 -5.532 6.847 11.188 1.00 0.00 N ATOM 353 CA LYS A 24 -6.080 7.885 12.052 1.00 0.00 C ATOM 354 C LYS A 24 -5.245 9.154 11.948 1.00 0.00 C ATOM 355 O LYS A 24 -5.781 10.253 11.803 1.00 0.00 O ATOM 356 CB LYS A 24 -6.132 7.401 13.503 1.00 0.00 C ATOM 357 CG LYS A 24 -7.489 7.594 14.161 1.00 0.00 C ATOM 358 CD LYS A 24 -8.305 6.311 14.143 1.00 0.00 C ATOM 359 CE LYS A 24 -9.041 6.131 12.824 1.00 0.00 C ATOM 360 NZ LYS A 24 -10.515 6.051 13.018 1.00 0.00 N ATOM 0 H LYS A 24 -4.937 6.169 11.665 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.096 8.107 11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.870 6.343 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.378 7.934 14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.352 7.924 15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.037 8.382 13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.647 5.459 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.024 6.326 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.807 6.964 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.690 5.224 12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.980 5.928 12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.741 5.241 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.855 6.927 13.463 1.00 0.00 H new ATOM 374 N ARG A 25 -3.928 8.992 12.007 1.00 0.00 N ATOM 375 CA ARG A 25 -3.017 10.123 11.902 1.00 0.00 C ATOM 376 C ARG A 25 -3.056 10.707 10.494 1.00 0.00 C ATOM 377 O ARG A 25 -2.748 11.883 10.289 1.00 0.00 O ATOM 378 CB ARG A 25 -1.593 9.695 12.254 1.00 0.00 C ATOM 379 CG ARG A 25 -1.380 9.454 13.741 1.00 0.00 C ATOM 380 CD ARG A 25 -1.584 10.728 14.546 1.00 0.00 C ATOM 381 NE ARG A 25 -1.280 10.535 15.962 1.00 0.00 N ATOM 382 CZ ARG A 25 -1.205 11.528 16.845 1.00 0.00 C ATOM 383 NH1 ARG A 25 -1.408 12.782 16.464 1.00 0.00 N ATOM 384 NH2 ARG A 25 -0.925 11.265 18.114 1.00 0.00 N ATOM 0 H ARG A 25 -3.469 8.089 12.127 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.336 10.889 12.608 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.351 8.783 11.708 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.897 10.463 11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.072 8.687 14.089 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.372 9.074 13.909 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.949 11.517 14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.616 11.063 14.439 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.116 9.584 16.293 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.623 12.990 15.489 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.349 13.538 17.146 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.767 10.303 18.413 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.867 12.025 18.792 1.00 0.00 H new ATOM 398 N ILE A 26 -3.443 9.880 9.526 1.00 0.00 N ATOM 399 CA ILE A 26 -3.527 10.313 8.138 1.00 0.00 C ATOM 400 C ILE A 26 -4.698 11.274 7.938 1.00 0.00 C ATOM 401 O ILE A 26 -4.669 12.128 7.052 1.00 0.00 O ATOM 402 CB ILE A 26 -3.666 9.104 7.179 1.00 0.00 C ATOM 403 CG1 ILE A 26 -3.027 9.427 5.826 1.00 0.00 C ATOM 404 CG2 ILE A 26 -5.124 8.696 6.999 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.515 9.451 5.864 1.00 0.00 C ATOM 0 H ILE A 26 -3.703 8.906 9.680 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.599 10.834 7.902 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.142 8.259 7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.353 8.688 5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.390 10.396 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.183 7.845 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.546 8.419 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.687 9.532 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.130 9.686 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.181 10.209 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.143 8.475 6.176 1.00 0.00 H new ATOM 417 N LYS A 27 -5.728 11.126 8.768 1.00 0.00 N ATOM 418 CA LYS A 27 -6.908 11.978 8.683 1.00 0.00 C ATOM 419 C LYS A 27 -6.830 13.119 9.692 1.00 0.00 C ATOM 420 O LYS A 27 -7.346 14.210 9.451 1.00 0.00 O ATOM 421 CB LYS A 27 -8.173 11.154 8.927 1.00 0.00 C ATOM 422 CG LYS A 27 -9.387 11.661 8.166 1.00 0.00 C ATOM 423 CD LYS A 27 -10.642 10.884 8.533 1.00 0.00 C ATOM 424 CE LYS A 27 -11.691 11.781 9.171 1.00 0.00 C ATOM 425 NZ LYS A 27 -11.192 12.416 10.422 1.00 0.00 N ATOM 0 H LYS A 27 -5.768 10.424 9.507 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.946 12.405 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.983 10.119 8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.397 11.155 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.537 12.719 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.207 11.577 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.056 10.418 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.384 10.079 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.985 12.556 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.583 11.196 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.999 12.701 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.603 11.737 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.625 13.254 10.183 1.00 0.00 H new ATOM 439 N ALA A 28 -6.182 12.859 10.824 1.00 0.00 N ATOM 440 CA ALA A 28 -6.038 13.864 11.870 1.00 0.00 C ATOM 441 C ALA A 28 -5.088 14.975 11.436 1.00 0.00 C ATOM 442 O ALA A 28 -5.339 16.154 11.690 1.00 0.00 O ATOM 443 CB ALA A 28 -5.545 13.218 13.156 1.00 0.00 C ATOM 0 H ALA A 28 -5.749 11.961 11.039 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.017 14.309 12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.442 13.979 13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.261 12.464 13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.578 12.747 12.979 1.00 0.00 H new ATOM 449 N PHE A 29 -3.998 14.592 10.783 1.00 0.00 N ATOM 450 CA PHE A 29 -3.010 15.556 10.313 1.00 0.00 C ATOM 451 C PHE A 29 -3.465 16.216 9.015 1.00 0.00 C ATOM 452 O PHE A 29 -3.058 17.334 8.700 1.00 0.00 O ATOM 453 CB PHE A 29 -1.659 14.869 10.100 1.00 0.00 C ATOM 454 CG PHE A 29 -0.807 14.822 11.336 1.00 0.00 C ATOM 455 CD1 PHE A 29 -0.354 15.990 11.926 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.462 13.608 11.908 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.430 15.950 13.064 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.322 13.560 13.046 1.00 0.00 C ATOM 459 CZ PHE A 29 0.768 14.733 13.623 1.00 0.00 C ATOM 0 H PHE A 29 -3.775 13.620 10.567 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.904 16.329 11.075 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.830 13.852 9.748 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.115 15.392 9.313 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.616 16.944 11.492 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.809 12.689 11.460 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.777 16.868 13.515 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.585 12.608 13.483 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.381 14.699 14.511 1.00 0.00 H new ATOM 469 N GLY A 30 -4.310 15.517 8.264 1.00 0.00 N ATOM 470 CA GLY A 30 -4.803 16.055 7.010 1.00 0.00 C ATOM 471 C GLY A 30 -4.060 15.496 5.813 1.00 0.00 C ATOM 472 O GLY A 30 -3.920 16.167 4.792 1.00 0.00 O ATOM 0 H GLY A 30 -4.661 14.589 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.865 15.830 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.707 17.141 7.020 1.00 0.00 H new ATOM 476 N LEU A 31 -3.582 14.262 5.940 1.00 0.00 N ATOM 477 CA LEU A 31 -2.849 13.611 4.861 1.00 0.00 C ATOM 478 C LEU A 31 -3.763 12.702 4.045 1.00 0.00 C ATOM 479 O LEU A 31 -3.305 11.743 3.422 1.00 0.00 O ATOM 480 CB LEU A 31 -1.681 12.801 5.428 1.00 0.00 C ATOM 481 CG LEU A 31 -0.916 13.477 6.567 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.344 12.435 7.516 1.00 0.00 C ATOM 483 CD2 LEU A 31 0.189 14.363 6.014 1.00 0.00 C ATOM 0 H LEU A 31 -3.689 13.693 6.780 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.461 14.388 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.062 11.844 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.982 12.585 4.620 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.611 14.104 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.197 12.933 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.156 11.842 7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.337 11.782 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.723 14.836 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.884 13.758 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.246 15.131 5.375 1.00 0.00 H new ATOM 495 N GLN A 32 -5.057 13.010 4.052 1.00 0.00 N ATOM 496 CA GLN A 32 -6.032 12.221 3.307 1.00 0.00 C ATOM 497 C GLN A 32 -5.728 12.257 1.813 1.00 0.00 C ATOM 498 O GLN A 32 -6.110 11.352 1.070 1.00 0.00 O ATOM 499 CB GLN A 32 -7.448 12.742 3.570 1.00 0.00 C ATOM 500 CG GLN A 32 -8.314 11.771 4.356 1.00 0.00 C ATOM 501 CD GLN A 32 -9.740 11.714 3.842 1.00 0.00 C ATOM 502 OE1 GLN A 32 -10.513 12.656 4.018 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.097 10.606 3.203 1.00 0.00 N ATOM 0 H GLN A 32 -5.453 13.798 4.564 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.967 11.187 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.385 13.684 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.931 12.957 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.874 10.775 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.321 12.064 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.424 9.849 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.044 10.512 2.836 1.00 0.00 H new ATOM 512 N ASP A 33 -5.036 13.307 1.377 1.00 0.00 N ATOM 513 CA ASP A 33 -4.679 13.458 -0.028 1.00 0.00 C ATOM 514 C ASP A 33 -3.461 12.604 -0.383 1.00 0.00 C ATOM 515 O ASP A 33 -3.050 12.551 -1.542 1.00 0.00 O ATOM 516 CB ASP A 33 -4.400 14.928 -0.348 1.00 0.00 C ATOM 517 CG ASP A 33 -5.130 15.398 -1.591 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.376 15.304 -1.619 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.457 15.860 -2.536 1.00 0.00 O ATOM 0 H ASP A 33 -4.712 14.065 1.978 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.522 13.115 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.698 15.544 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.328 15.070 -0.484 1.00 0.00 H new ATOM 524 N LYS A 34 -2.888 11.936 0.617 1.00 0.00 N ATOM 525 CA LYS A 34 -1.724 11.087 0.399 1.00 0.00 C ATOM 526 C LYS A 34 -2.132 9.621 0.312 1.00 0.00 C ATOM 527 O LYS A 34 -2.038 9.002 -0.749 1.00 0.00 O ATOM 528 CB LYS A 34 -0.708 11.281 1.526 1.00 0.00 C ATOM 529 CG LYS A 34 0.236 12.453 1.303 1.00 0.00 C ATOM 530 CD LYS A 34 -0.360 13.752 1.818 1.00 0.00 C ATOM 531 CE LYS A 34 -0.890 14.611 0.681 1.00 0.00 C ATOM 532 NZ LYS A 34 0.198 15.366 0.000 1.00 0.00 N ATOM 0 H LYS A 34 -3.212 11.968 1.584 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.265 11.375 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.243 11.430 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.121 10.369 1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.183 12.260 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.455 12.548 0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.168 13.531 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.397 14.307 2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.401 13.978 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.629 15.311 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.205 15.939 -0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.670 15.990 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.891 14.698 -0.394 1.00 0.00 H new ATOM 546 N ILE A 35 -2.594 9.073 1.431 1.00 0.00 N ATOM 547 CA ILE A 35 -3.026 7.680 1.473 1.00 0.00 C ATOM 548 C ILE A 35 -4.438 7.537 0.920 1.00 0.00 C ATOM 549 O ILE A 35 -5.344 8.273 1.313 1.00 0.00 O ATOM 550 CB ILE A 35 -2.988 7.123 2.909 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.641 7.435 3.565 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.244 5.623 2.902 1.00 0.00 C ATOM 553 CD1 ILE A 35 -0.464 6.788 2.868 1.00 0.00 C ATOM 0 H ILE A 35 -2.679 9.570 2.318 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.333 7.109 0.855 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.775 7.604 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.495 8.515 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.666 7.102 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.214 5.244 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.224 5.423 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.477 5.126 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.457 7.053 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.587 5.705 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.413 7.140 1.838 1.00 0.00 H new ATOM 565 N PHE A 36 -4.623 6.596 -0.001 1.00 0.00 N ATOM 566 CA PHE A 36 -5.931 6.378 -0.609 1.00 0.00 C ATOM 567 C PHE A 36 -6.397 4.936 -0.449 1.00 0.00 C ATOM 568 O PHE A 36 -7.527 4.684 -0.031 1.00 0.00 O ATOM 569 CB PHE A 36 -5.898 6.735 -2.097 1.00 0.00 C ATOM 570 CG PHE A 36 -5.096 7.964 -2.413 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.476 9.204 -1.923 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.964 7.877 -3.204 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.738 10.335 -2.218 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.222 9.004 -3.502 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.610 10.235 -3.008 1.00 0.00 C ATOM 0 H PHE A 36 -3.888 5.976 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.636 7.027 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.487 5.893 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.920 6.880 -2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.357 9.287 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.657 6.917 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.043 11.296 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.340 8.923 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.032 11.117 -3.240 1.00 0.00 H new ATOM 585 N GLN A 37 -5.536 3.988 -0.807 1.00 0.00 N ATOM 586 CA GLN A 37 -5.897 2.573 -0.723 1.00 0.00 C ATOM 587 C GLN A 37 -4.983 1.792 0.218 1.00 0.00 C ATOM 588 O GLN A 37 -3.878 2.224 0.544 1.00 0.00 O ATOM 589 CB GLN A 37 -5.864 1.946 -2.117 1.00 0.00 C ATOM 590 CG GLN A 37 -7.206 1.404 -2.576 1.00 0.00 C ATOM 591 CD GLN A 37 -7.494 1.729 -4.027 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.155 0.806 -4.918 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -8.016 2.797 -4.346 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.594 4.168 -1.154 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.905 2.520 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.520 2.692 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.134 1.137 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.225 0.323 -2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.996 1.819 -1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.261 3.479 -3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.204 3.000 -5.328 1.00 0.00 H new ATOM 602 N VAL A 38 -5.468 0.624 0.639 1.00 0.00 N ATOM 603 CA VAL A 38 -4.731 -0.262 1.533 1.00 0.00 C ATOM 604 C VAL A 38 -5.254 -1.690 1.399 1.00 0.00 C ATOM 605 O VAL A 38 -6.388 -1.978 1.785 1.00 0.00 O ATOM 606 CB VAL A 38 -4.853 0.182 3.004 1.00 0.00 C ATOM 607 CG1 VAL A 38 -3.983 -0.685 3.900 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.486 1.650 3.155 1.00 0.00 C ATOM 0 H VAL A 38 -6.384 0.267 0.368 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.681 -0.217 1.246 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.891 0.058 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.083 -0.355 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.299 -1.725 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.941 -0.597 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.579 1.943 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.459 1.804 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.157 2.257 2.547 1.00 0.00 H new ATOM 618 N LEU A 39 -4.442 -2.579 0.832 1.00 0.00 N ATOM 619 CA LEU A 39 -4.860 -3.966 0.633 1.00 0.00 C ATOM 620 C LEU A 39 -3.869 -4.962 1.234 1.00 0.00 C ATOM 621 O LEU A 39 -2.802 -4.593 1.721 1.00 0.00 O ATOM 622 CB LEU A 39 -5.032 -4.254 -0.860 1.00 0.00 C ATOM 623 CG LEU A 39 -6.444 -4.028 -1.405 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.427 -5.000 -0.765 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.881 -2.591 -1.167 1.00 0.00 C ATOM 0 H LEU A 39 -3.499 -2.368 0.505 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.812 -4.092 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.339 -3.625 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.747 -5.289 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.433 -4.211 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.426 -4.824 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.123 -6.023 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.437 -4.849 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.887 -2.447 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.876 -2.382 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.193 -1.913 -1.672 1.00 0.00 H new ATOM 637 N ILE A 40 -4.248 -6.237 1.174 1.00 0.00 N ATOM 638 CA ILE A 40 -3.432 -7.333 1.687 1.00 0.00 C ATOM 639 C ILE A 40 -3.906 -8.655 1.083 1.00 0.00 C ATOM 640 O ILE A 40 -4.455 -9.510 1.778 1.00 0.00 O ATOM 641 CB ILE A 40 -3.499 -7.419 3.225 1.00 0.00 C ATOM 642 CG1 ILE A 40 -4.950 -7.319 3.702 1.00 0.00 C ATOM 643 CG2 ILE A 40 -2.652 -6.324 3.855 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.159 -7.823 5.114 1.00 0.00 C ATOM 0 H ILE A 40 -5.133 -6.539 0.767 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.397 -7.141 1.403 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.100 -8.384 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.272 -6.279 3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.587 -7.887 3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.710 -6.399 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.615 -6.438 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.023 -5.349 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.210 -7.722 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.869 -8.872 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.549 -7.239 5.803 1.00 0.00 H new ATOM 656 N PRO A 41 -3.720 -8.818 -0.240 1.00 0.00 N ATOM 657 CA PRO A 41 -4.149 -10.015 -0.977 1.00 0.00 C ATOM 658 C PRO A 41 -3.650 -11.332 -0.385 1.00 0.00 C ATOM 659 O PRO A 41 -2.575 -11.406 0.222 1.00 0.00 O ATOM 660 CB PRO A 41 -3.567 -9.812 -2.387 1.00 0.00 C ATOM 661 CG PRO A 41 -2.607 -8.676 -2.267 1.00 0.00 C ATOM 662 CD PRO A 41 -3.105 -7.830 -1.134 1.00 0.00 C ATOM 0 HA PRO A 41 -5.235 -10.107 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.065 -10.714 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.354 -9.586 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.598 -9.038 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.564 -8.102 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.294 -7.290 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.826 -7.085 -1.471 1.00 0.00 H new ATOM 670 N THR A 42 -4.453 -12.376 -0.597 1.00 0.00 N ATOM 671 CA THR A 42 -4.140 -13.717 -0.125 1.00 0.00 C ATOM 672 C THR A 42 -4.175 -14.705 -1.288 1.00 0.00 C ATOM 673 O THR A 42 -4.887 -14.493 -2.269 1.00 0.00 O ATOM 674 CB THR A 42 -5.129 -14.148 0.959 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.462 -13.918 0.542 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.926 -13.424 2.273 1.00 0.00 C ATOM 0 H THR A 42 -5.337 -12.311 -1.101 1.00 0.00 H new ATOM 0 HA THR A 42 -3.137 -13.708 0.303 1.00 0.00 H new ATOM 0 HB THR A 42 -4.944 -15.211 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.079 -14.202 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.659 -13.775 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.921 -13.623 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.051 -12.352 2.121 1.00 0.00 H new ATOM 684 N GLU A 43 -3.404 -15.782 -1.178 1.00 0.00 N ATOM 685 CA GLU A 43 -3.353 -16.791 -2.231 1.00 0.00 C ATOM 686 C GLU A 43 -4.552 -17.728 -2.150 1.00 0.00 C ATOM 687 O GLU A 43 -4.959 -18.143 -1.066 1.00 0.00 O ATOM 688 CB GLU A 43 -2.059 -17.597 -2.138 1.00 0.00 C ATOM 689 CG GLU A 43 -1.576 -18.131 -3.478 1.00 0.00 C ATOM 690 CD GLU A 43 -1.100 -17.031 -4.405 1.00 0.00 C ATOM 691 OE1 GLU A 43 -1.953 -16.271 -4.911 1.00 0.00 O ATOM 692 OE2 GLU A 43 0.125 -16.930 -4.628 1.00 0.00 O ATOM 0 H GLU A 43 -2.808 -15.979 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.382 -16.273 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.280 -16.969 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.210 -18.434 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.763 -18.838 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.385 -18.682 -3.959 1.00 0.00 H new ATOM 699 N GLU A 44 -5.112 -18.060 -3.310 1.00 0.00 N ATOM 700 CA GLU A 44 -6.263 -18.952 -3.379 1.00 0.00 C ATOM 701 C GLU A 44 -5.844 -20.340 -3.853 1.00 0.00 C ATOM 702 O GLU A 44 -5.098 -20.476 -4.822 1.00 0.00 O ATOM 703 CB GLU A 44 -7.326 -18.378 -4.318 1.00 0.00 C ATOM 704 CG GLU A 44 -7.532 -16.880 -4.167 1.00 0.00 C ATOM 705 CD GLU A 44 -8.926 -16.441 -4.571 1.00 0.00 C ATOM 706 OE1 GLU A 44 -9.900 -17.122 -4.183 1.00 0.00 O ATOM 707 OE2 GLU A 44 -9.046 -15.415 -5.274 1.00 0.00 O ATOM 0 H GLU A 44 -4.786 -17.723 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.685 -19.040 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.043 -18.595 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.273 -18.886 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.351 -16.594 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.798 -16.353 -4.776 1.00 0.00 H new ATOM 714 N VAL A 45 -6.328 -21.368 -3.163 1.00 0.00 N ATOM 715 CA VAL A 45 -6.001 -22.745 -3.515 1.00 0.00 C ATOM 716 C VAL A 45 -7.126 -23.696 -3.120 1.00 0.00 C ATOM 717 O VAL A 45 -8.093 -23.296 -2.471 1.00 0.00 O ATOM 718 CB VAL A 45 -4.696 -23.204 -2.839 1.00 0.00 C ATOM 719 CG1 VAL A 45 -3.490 -22.596 -3.539 1.00 0.00 C ATOM 720 CG2 VAL A 45 -4.702 -22.845 -1.361 1.00 0.00 C ATOM 0 H VAL A 45 -6.947 -21.274 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.869 -22.771 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.628 -24.289 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.577 -22.931 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.478 -22.911 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.550 -21.509 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.771 -23.178 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.796 -21.765 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.544 -23.335 -0.871 1.00 0.00 H new ATOM 730 N VAL A 46 -6.991 -24.957 -3.515 1.00 0.00 N ATOM 731 CA VAL A 46 -7.995 -25.967 -3.203 1.00 0.00 C ATOM 732 C VAL A 46 -7.361 -27.181 -2.530 1.00 0.00 C ATOM 733 O VAL A 46 -6.199 -27.502 -2.776 1.00 0.00 O ATOM 734 CB VAL A 46 -8.742 -26.428 -4.468 1.00 0.00 C ATOM 735 CG1 VAL A 46 -9.662 -25.329 -4.976 1.00 0.00 C ATOM 736 CG2 VAL A 46 -7.756 -26.851 -5.547 1.00 0.00 C ATOM 0 H VAL A 46 -6.196 -25.304 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.707 -25.505 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.355 -27.292 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.181 -25.674 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.392 -25.081 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.073 -24.444 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.303 -27.174 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.114 -26.008 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.144 -27.674 -5.178 1.00 0.00 H new ATOM 746 N GLU A 47 -8.133 -27.851 -1.682 1.00 0.00 N ATOM 747 CA GLU A 47 -7.646 -29.028 -0.974 1.00 0.00 C ATOM 748 C GLU A 47 -8.720 -30.111 -0.916 1.00 0.00 C ATOM 749 O GLU A 47 -9.914 -29.819 -0.987 1.00 0.00 O ATOM 750 CB GLU A 47 -7.204 -28.650 0.443 1.00 0.00 C ATOM 751 CG GLU A 47 -5.694 -28.626 0.621 1.00 0.00 C ATOM 752 CD GLU A 47 -5.253 -29.241 1.933 1.00 0.00 C ATOM 753 OE1 GLU A 47 -5.394 -28.574 2.979 1.00 0.00 O ATOM 754 OE2 GLU A 47 -4.765 -30.391 1.915 1.00 0.00 O ATOM 0 H GLU A 47 -9.098 -27.599 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.789 -29.422 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.607 -27.668 0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.634 -29.359 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.226 -29.164 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.342 -27.596 0.570 1.00 0.00 H new ATOM 761 N LEU A 48 -8.286 -31.361 -0.786 1.00 0.00 N ATOM 762 CA LEU A 48 -9.211 -32.487 -0.719 1.00 0.00 C ATOM 763 C LEU A 48 -8.861 -33.407 0.446 1.00 0.00 C ATOM 764 O LEU A 48 -7.690 -33.569 0.791 1.00 0.00 O ATOM 765 CB LEU A 48 -9.188 -33.272 -2.032 1.00 0.00 C ATOM 766 CG LEU A 48 -10.187 -34.428 -2.112 1.00 0.00 C ATOM 767 CD1 LEU A 48 -11.609 -33.899 -2.204 1.00 0.00 C ATOM 768 CD2 LEU A 48 -9.870 -35.323 -3.301 1.00 0.00 C ATOM 0 H LEU A 48 -7.301 -31.619 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.215 -32.094 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.386 -32.583 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.184 -33.668 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.101 -35.022 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.305 -34.736 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.832 -33.300 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.711 -33.282 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.590 -36.140 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.928 -34.740 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.865 -35.730 -3.192 1.00 0.00 H new ATOM 780 N ARG A 49 -9.883 -34.009 1.046 1.00 0.00 N ATOM 781 CA ARG A 49 -9.682 -34.914 2.172 1.00 0.00 C ATOM 782 C ARG A 49 -9.642 -36.366 1.702 1.00 0.00 C ATOM 783 O ARG A 49 -9.877 -36.655 0.530 1.00 0.00 O ATOM 784 CB ARG A 49 -10.795 -34.731 3.206 1.00 0.00 C ATOM 785 CG ARG A 49 -10.321 -34.878 4.643 1.00 0.00 C ATOM 786 CD ARG A 49 -10.673 -33.657 5.478 1.00 0.00 C ATOM 787 NE ARG A 49 -10.842 -33.988 6.891 1.00 0.00 N ATOM 788 CZ ARG A 49 -11.451 -33.196 7.770 1.00 0.00 C ATOM 789 NH1 ARG A 49 -11.952 -32.029 7.386 1.00 0.00 N ATOM 790 NH2 ARG A 49 -11.563 -33.573 9.036 1.00 0.00 N ATOM 0 H ARG A 49 -10.858 -33.887 0.772 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.724 -34.673 2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.240 -33.744 3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.581 -35.462 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.773 -35.765 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.242 -35.030 4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.888 -32.908 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.592 -33.211 5.098 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.471 -34.878 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.871 -31.735 6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.418 -31.426 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.182 -34.470 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.030 -32.966 9.710 1.00 0.00 H new ATOM 804 N GLU A 50 -9.342 -37.272 2.627 1.00 0.00 N ATOM 805 CA GLU A 50 -9.271 -38.693 2.305 1.00 0.00 C ATOM 806 C GLU A 50 -10.641 -39.226 1.892 1.00 0.00 C ATOM 807 O GLU A 50 -10.756 -39.989 0.935 1.00 0.00 O ATOM 808 CB GLU A 50 -8.742 -39.484 3.505 1.00 0.00 C ATOM 809 CG GLU A 50 -7.685 -40.510 3.136 1.00 0.00 C ATOM 810 CD GLU A 50 -7.793 -41.781 3.957 1.00 0.00 C ATOM 811 OE1 GLU A 50 -8.101 -41.684 5.164 1.00 0.00 O ATOM 812 OE2 GLU A 50 -7.571 -42.873 3.393 1.00 0.00 O ATOM 0 H GLU A 50 -9.145 -37.049 3.603 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.585 -38.817 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.324 -38.789 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.575 -39.991 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.777 -40.756 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.696 -40.074 3.277 1.00 0.00 H new ATOM 819 N GLY A 51 -11.672 -38.815 2.621 1.00 0.00 N ATOM 820 CA GLY A 51 -13.019 -39.260 2.315 1.00 0.00 C ATOM 821 C GLY A 51 -14.071 -38.249 2.727 1.00 0.00 C ATOM 822 O GLY A 51 -14.350 -38.083 3.914 1.00 0.00 O ATOM 0 H GLY A 51 -11.600 -38.182 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.101 -39.450 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.210 -40.206 2.822 1.00 0.00 H new ATOM 826 N GLY A 52 -14.655 -37.572 1.744 1.00 0.00 N ATOM 827 CA GLY A 52 -15.675 -36.581 2.031 1.00 0.00 C ATOM 828 C GLY A 52 -15.659 -35.431 1.043 1.00 0.00 C ATOM 829 O GLY A 52 -15.236 -35.594 -0.101 1.00 0.00 O ATOM 0 H GLY A 52 -14.440 -37.692 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.655 -37.057 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.527 -36.193 3.039 1.00 0.00 H new ATOM 833 N LYS A 53 -16.122 -34.265 1.486 1.00 0.00 N ATOM 834 CA LYS A 53 -16.159 -33.084 0.632 1.00 0.00 C ATOM 835 C LYS A 53 -15.403 -31.924 1.274 1.00 0.00 C ATOM 836 O LYS A 53 -15.531 -31.675 2.473 1.00 0.00 O ATOM 837 CB LYS A 53 -17.608 -32.676 0.352 1.00 0.00 C ATOM 838 CG LYS A 53 -18.113 -33.127 -1.008 1.00 0.00 C ATOM 839 CD LYS A 53 -19.590 -33.484 -0.964 1.00 0.00 C ATOM 840 CE LYS A 53 -19.961 -34.451 -2.077 1.00 0.00 C ATOM 841 NZ LYS A 53 -19.042 -35.620 -2.125 1.00 0.00 N ATOM 0 H LYS A 53 -16.476 -34.114 2.431 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.672 -33.332 -0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.251 -33.094 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.691 -31.591 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.951 -32.334 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.539 -33.991 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -19.829 -33.929 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.188 -32.577 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.984 -34.799 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.936 -33.930 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.545 -36.441 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.224 -35.394 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.713 -35.843 -1.164 1.00 0.00 H new ATOM 855 N LYS A 54 -14.619 -31.219 0.467 1.00 0.00 N ATOM 856 CA LYS A 54 -13.843 -30.084 0.952 1.00 0.00 C ATOM 857 C LYS A 54 -14.182 -28.821 0.169 1.00 0.00 C ATOM 858 O LYS A 54 -14.905 -28.870 -0.827 1.00 0.00 O ATOM 859 CB LYS A 54 -12.345 -30.379 0.842 1.00 0.00 C ATOM 860 CG LYS A 54 -11.740 -30.935 2.121 1.00 0.00 C ATOM 861 CD LYS A 54 -11.377 -29.827 3.095 1.00 0.00 C ATOM 862 CE LYS A 54 -12.408 -29.700 4.206 1.00 0.00 C ATOM 863 NZ LYS A 54 -12.546 -28.294 4.678 1.00 0.00 N ATOM 0 H LYS A 54 -14.504 -31.414 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.098 -29.921 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.182 -31.091 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.821 -29.462 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.447 -31.617 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.849 -31.515 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.397 -30.029 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.300 -28.881 2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.373 -30.059 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.121 -30.337 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.258 -28.250 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.632 -27.959 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.845 -27.690 3.886 1.00 0.00 H new ATOM 877 N GLU A 55 -13.653 -27.689 0.622 1.00 0.00 N ATOM 878 CA GLU A 55 -13.896 -26.412 -0.040 1.00 0.00 C ATOM 879 C GLU A 55 -12.587 -25.792 -0.515 1.00 0.00 C ATOM 880 O GLU A 55 -11.545 -26.447 -0.518 1.00 0.00 O ATOM 881 CB GLU A 55 -14.622 -25.454 0.908 1.00 0.00 C ATOM 882 CG GLU A 55 -15.934 -24.927 0.352 1.00 0.00 C ATOM 883 CD GLU A 55 -16.959 -26.024 0.137 1.00 0.00 C ATOM 884 OE1 GLU A 55 -16.881 -27.054 0.840 1.00 0.00 O ATOM 885 OE2 GLU A 55 -17.838 -25.853 -0.735 1.00 0.00 O ATOM 0 H GLU A 55 -13.053 -27.630 1.445 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.526 -26.592 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.816 -25.966 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.967 -24.612 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.342 -24.183 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.746 -24.420 -0.594 1.00 0.00 H new ATOM 892 N VAL A 56 -12.647 -24.526 -0.916 1.00 0.00 N ATOM 893 CA VAL A 56 -11.463 -23.821 -1.393 1.00 0.00 C ATOM 894 C VAL A 56 -10.742 -23.121 -0.247 1.00 0.00 C ATOM 895 O VAL A 56 -11.303 -22.247 0.414 1.00 0.00 O ATOM 896 CB VAL A 56 -11.818 -22.784 -2.475 1.00 0.00 C ATOM 897 CG1 VAL A 56 -12.091 -23.473 -3.804 1.00 0.00 C ATOM 898 CG2 VAL A 56 -13.013 -21.943 -2.046 1.00 0.00 C ATOM 0 H VAL A 56 -13.501 -23.968 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.804 -24.572 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.966 -22.117 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.340 -22.725 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.204 -24.022 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.925 -24.165 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.246 -21.217 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.875 -22.591 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -12.775 -21.418 -1.121 1.00 0.00 H new ATOM 908 N VAL A 57 -9.492 -23.511 -0.017 1.00 0.00 N ATOM 909 CA VAL A 57 -8.691 -22.921 1.048 1.00 0.00 C ATOM 910 C VAL A 57 -7.915 -21.709 0.545 1.00 0.00 C ATOM 911 O VAL A 57 -7.697 -21.555 -0.656 1.00 0.00 O ATOM 912 CB VAL A 57 -7.700 -23.943 1.637 1.00 0.00 C ATOM 913 CG1 VAL A 57 -8.431 -24.968 2.488 1.00 0.00 C ATOM 914 CG2 VAL A 57 -6.910 -24.623 0.529 1.00 0.00 C ATOM 0 H VAL A 57 -9.013 -24.233 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.384 -22.607 1.828 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.997 -23.410 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.714 -25.681 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.944 -24.462 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.160 -25.497 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.216 -25.341 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.596 -25.142 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.352 -23.874 -0.032 1.00 0.00 H new ATOM 924 N ARG A 58 -7.501 -20.850 1.470 1.00 0.00 N ATOM 925 CA ARG A 58 -6.749 -19.652 1.116 1.00 0.00 C ATOM 926 C ARG A 58 -5.632 -19.391 2.120 1.00 0.00 C ATOM 927 O ARG A 58 -5.817 -19.548 3.328 1.00 0.00 O ATOM 928 CB ARG A 58 -7.682 -18.442 1.049 1.00 0.00 C ATOM 929 CG ARG A 58 -8.519 -18.391 -0.220 1.00 0.00 C ATOM 930 CD ARG A 58 -8.414 -17.037 -0.906 1.00 0.00 C ATOM 931 NE ARG A 58 -9.070 -15.981 -0.138 1.00 0.00 N ATOM 932 CZ ARG A 58 -9.350 -14.776 -0.626 1.00 0.00 C ATOM 933 NH1 ARG A 58 -9.035 -14.470 -1.879 1.00 0.00 N ATOM 934 NH2 ARG A 58 -9.949 -13.873 0.139 1.00 0.00 N ATOM 0 H ARG A 58 -7.673 -20.961 2.469 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.300 -19.813 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.347 -18.457 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.088 -17.531 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.191 -19.173 -0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.562 -18.597 0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.364 -16.783 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.864 -17.097 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.328 -16.180 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.576 -15.161 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.252 -13.544 -2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.195 -14.103 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.164 -12.949 -0.236 1.00 0.00 H new ATOM 948 N LYS A 59 -4.472 -18.989 1.612 1.00 0.00 N ATOM 949 CA LYS A 59 -3.320 -18.703 2.460 1.00 0.00 C ATOM 950 C LYS A 59 -2.779 -17.305 2.176 1.00 0.00 C ATOM 951 O LYS A 59 -2.749 -16.865 1.029 1.00 0.00 O ATOM 952 CB LYS A 59 -2.222 -19.745 2.236 1.00 0.00 C ATOM 953 CG LYS A 59 -1.774 -19.854 0.787 1.00 0.00 C ATOM 954 CD LYS A 59 -0.566 -18.975 0.509 1.00 0.00 C ATOM 955 CE LYS A 59 0.724 -19.635 0.969 1.00 0.00 C ATOM 956 NZ LYS A 59 1.829 -19.436 -0.010 1.00 0.00 N ATOM 0 H LYS A 59 -4.304 -18.854 0.615 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.642 -18.748 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.361 -19.493 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.582 -20.718 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.531 -20.891 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.594 -19.566 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.507 -18.764 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.687 -18.018 1.017 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.017 -19.225 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.555 -20.702 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.691 -19.901 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.560 -19.849 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.008 -18.419 -0.129 1.00 0.00 H new ATOM 970 N LYS A 60 -2.354 -16.612 3.228 1.00 0.00 N ATOM 971 CA LYS A 60 -1.815 -15.260 3.090 1.00 0.00 C ATOM 972 C LYS A 60 -0.795 -15.183 1.955 1.00 0.00 C ATOM 973 O LYS A 60 0.099 -16.023 1.854 1.00 0.00 O ATOM 974 CB LYS A 60 -1.170 -14.810 4.404 1.00 0.00 C ATOM 975 CG LYS A 60 -1.962 -13.737 5.134 1.00 0.00 C ATOM 976 CD LYS A 60 -2.496 -14.242 6.466 1.00 0.00 C ATOM 977 CE LYS A 60 -1.366 -14.614 7.413 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.648 -15.880 8.143 1.00 0.00 N ATOM 0 H LYS A 60 -2.372 -16.963 4.186 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.643 -14.593 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.057 -15.674 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.168 -14.433 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.327 -12.867 5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.793 -13.409 4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.119 -13.474 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.133 -15.111 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.439 -14.719 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.213 -13.808 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.854 -16.099 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.519 -15.772 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.769 -16.655 7.460 1.00 0.00 H new ATOM 992 N LEU A 61 -0.932 -14.165 1.111 1.00 0.00 N ATOM 993 CA LEU A 61 -0.018 -13.974 -0.007 1.00 0.00 C ATOM 994 C LEU A 61 1.151 -13.097 0.417 1.00 0.00 C ATOM 995 O LEU A 61 2.309 -13.509 0.347 1.00 0.00 O ATOM 996 CB LEU A 61 -0.746 -13.343 -1.198 1.00 0.00 C ATOM 997 CG LEU A 61 -0.779 -14.198 -2.465 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.430 -13.435 -3.607 1.00 0.00 C ATOM 999 CD2 LEU A 61 0.628 -14.636 -2.848 1.00 0.00 C ATOM 0 H LEU A 61 -1.667 -13.461 1.181 1.00 0.00 H new ATOM 0 HA LEU A 61 0.362 -14.949 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.771 -13.121 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.269 -12.391 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.375 -15.089 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.444 -14.059 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.451 -13.171 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.862 -12.527 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.586 -15.244 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.246 -13.757 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.060 -15.222 -2.037 1.00 0.00 H new ATOM 1011 N PHE A 62 0.836 -11.887 0.863 1.00 0.00 N ATOM 1012 CA PHE A 62 1.860 -10.949 1.307 1.00 0.00 C ATOM 1013 C PHE A 62 1.750 -10.698 2.810 1.00 0.00 C ATOM 1014 O PHE A 62 1.465 -9.580 3.243 1.00 0.00 O ATOM 1015 CB PHE A 62 1.742 -9.631 0.540 1.00 0.00 C ATOM 1016 CG PHE A 62 1.760 -9.806 -0.952 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.595 -10.100 -1.641 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.941 -9.679 -1.664 1.00 0.00 C ATOM 1019 CE1 PHE A 62 0.607 -10.264 -3.013 1.00 0.00 C ATOM 1020 CE2 PHE A 62 2.960 -9.842 -3.037 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.791 -10.134 -3.711 1.00 0.00 C ATOM 0 H PHE A 62 -0.118 -11.533 0.927 1.00 0.00 H new ATOM 0 HA PHE A 62 2.837 -11.388 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.817 -9.133 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.562 -8.975 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.334 -10.202 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.858 -9.450 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.308 -10.493 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.887 -9.741 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.803 -10.261 -4.783 1.00 0.00 H new ATOM 1031 N PRO A 63 1.975 -11.741 3.630 1.00 0.00 N ATOM 1032 CA PRO A 63 1.902 -11.627 5.091 1.00 0.00 C ATOM 1033 C PRO A 63 2.935 -10.653 5.644 1.00 0.00 C ATOM 1034 O PRO A 63 4.097 -10.668 5.235 1.00 0.00 O ATOM 1035 CB PRO A 63 2.189 -13.051 5.584 1.00 0.00 C ATOM 1036 CG PRO A 63 2.884 -13.721 4.449 1.00 0.00 C ATOM 1037 CD PRO A 63 2.322 -13.105 3.201 1.00 0.00 C ATOM 0 HA PRO A 63 0.937 -11.240 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.813 -13.041 6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.267 -13.571 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.962 -13.571 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.711 -14.797 4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.051 -13.100 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.449 -13.649 2.841 1.00 0.00 H new ATOM 1045 N GLY A 64 2.505 -9.802 6.568 1.00 0.00 N ATOM 1046 CA GLY A 64 3.406 -8.828 7.155 1.00 0.00 C ATOM 1047 C GLY A 64 3.731 -7.689 6.203 1.00 0.00 C ATOM 1048 O GLY A 64 4.568 -6.839 6.507 1.00 0.00 O ATOM 0 H GLY A 64 1.549 -9.769 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.957 -8.423 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.330 -9.325 7.451 1.00 0.00 H new ATOM 1052 N TYR A 65 3.066 -7.670 5.049 1.00 0.00 N ATOM 1053 CA TYR A 65 3.286 -6.629 4.053 1.00 0.00 C ATOM 1054 C TYR A 65 2.043 -5.761 3.892 1.00 0.00 C ATOM 1055 O TYR A 65 0.947 -6.270 3.656 1.00 0.00 O ATOM 1056 CB TYR A 65 3.656 -7.254 2.705 1.00 0.00 C ATOM 1057 CG TYR A 65 5.095 -7.708 2.613 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.653 -8.520 3.592 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.894 -7.328 1.542 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.967 -8.939 3.507 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.209 -7.743 1.449 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.740 -8.549 2.434 1.00 0.00 C ATOM 1063 OH TYR A 65 9.049 -8.967 2.342 1.00 0.00 O ATOM 0 H TYR A 65 2.370 -8.366 4.783 1.00 0.00 H new ATOM 0 HA TYR A 65 4.108 -6.001 4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.004 -8.108 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.463 -6.529 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.050 -8.829 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.480 -6.697 0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.387 -9.569 4.277 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.817 -7.438 0.610 1.00 0.00 H new ATOM 0 HH TYR A 65 9.378 -8.813 1.432 1.00 0.00 H new ATOM 1073 N LEU A 66 2.218 -4.451 4.020 1.00 0.00 N ATOM 1074 CA LEU A 66 1.105 -3.518 3.885 1.00 0.00 C ATOM 1075 C LEU A 66 1.193 -2.758 2.566 1.00 0.00 C ATOM 1076 O LEU A 66 2.139 -2.004 2.335 1.00 0.00 O ATOM 1077 CB LEU A 66 1.087 -2.538 5.058 1.00 0.00 C ATOM 1078 CG LEU A 66 0.069 -2.862 6.154 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.544 -2.329 7.498 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.293 -2.282 5.801 1.00 0.00 C ATOM 0 H LEU A 66 3.117 -4.011 4.217 1.00 0.00 H new ATOM 0 HA LEU A 66 0.178 -4.091 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.081 -2.509 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.880 -1.539 4.674 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.026 -3.945 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.192 -2.569 8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.498 -2.789 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.667 -1.248 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.006 -2.521 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.213 -1.200 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.637 -2.709 4.859 1.00 0.00 H new ATOM 1092 N PHE A 67 0.201 -2.961 1.708 1.00 0.00 N ATOM 1093 CA PHE A 67 0.159 -2.296 0.410 1.00 0.00 C ATOM 1094 C PHE A 67 -0.585 -0.969 0.508 1.00 0.00 C ATOM 1095 O PHE A 67 -1.811 -0.928 0.422 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.522 -3.198 -0.627 1.00 0.00 C ATOM 1097 CG PHE A 67 0.319 -4.356 -1.100 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.678 -4.424 -0.823 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.260 -5.381 -1.831 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.437 -5.491 -1.265 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.495 -6.448 -2.277 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.845 -6.504 -1.994 1.00 0.00 C ATOM 0 H PHE A 67 -0.588 -3.582 1.888 1.00 0.00 H new ATOM 0 HA PHE A 67 1.184 -2.099 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.446 -3.588 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.800 -2.592 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.147 -3.634 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.316 -5.345 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.493 -5.533 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.029 -7.238 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.437 -7.338 -2.342 1.00 0.00 H new ATOM 1112 N ILE A 68 0.163 0.115 0.689 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.428 1.442 0.801 1.00 0.00 C ATOM 1114 C ILE A 68 -0.432 2.161 -0.543 1.00 0.00 C ATOM 1115 O ILE A 68 0.623 2.493 -1.082 1.00 0.00 O ATOM 1116 CB ILE A 68 0.327 2.312 1.825 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.542 1.544 3.131 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.434 3.603 2.085 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.906 1.772 3.745 1.00 0.00 C ATOM 0 H ILE A 68 1.180 0.099 0.761 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.454 1.298 1.139 1.00 0.00 H new ATOM 0 HB ILE A 68 1.304 2.562 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.225 1.839 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.410 0.478 2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.111 4.207 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.536 4.159 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.423 3.369 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.990 1.198 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.678 1.451 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.034 2.832 3.964 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.624 2.406 -1.080 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.752 3.093 -2.359 1.00 0.00 C ATOM 1133 C GLN A 69 -1.679 4.604 -2.170 1.00 0.00 C ATOM 1134 O GLN A 69 -2.671 5.312 -2.357 1.00 0.00 O ATOM 1135 CB GLN A 69 -3.066 2.720 -3.043 1.00 0.00 C ATOM 1136 CG GLN A 69 -3.082 3.038 -4.529 1.00 0.00 C ATOM 1137 CD GLN A 69 -4.455 2.866 -5.154 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -5.373 3.767 -4.823 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 -4.686 1.938 -5.927 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.510 2.140 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.923 2.778 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.250 1.655 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.884 3.251 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.745 4.064 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.371 2.390 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.951 1.268 -6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.613 1.838 -6.341 1.00 0.00 H new ATOM 1148 N MET A 70 -0.496 5.086 -1.799 1.00 0.00 N ATOM 1149 CA MET A 70 -0.275 6.513 -1.591 1.00 0.00 C ATOM 1150 C MET A 70 0.213 7.171 -2.879 1.00 0.00 C ATOM 1151 O MET A 70 0.126 6.584 -3.956 1.00 0.00 O ATOM 1152 CB MET A 70 0.729 6.738 -0.457 1.00 0.00 C ATOM 1153 CG MET A 70 2.112 6.179 -0.743 1.00 0.00 C ATOM 1154 SD MET A 70 2.961 5.636 0.754 1.00 0.00 S ATOM 1155 CE MET A 70 4.596 6.312 0.485 1.00 0.00 C ATOM 0 H MET A 70 0.327 4.506 -1.636 1.00 0.00 H new ATOM 0 HA MET A 70 -1.222 6.973 -1.309 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.812 7.808 -0.265 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.343 6.280 0.454 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.025 5.339 -1.433 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.712 6.940 -1.241 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.342 5.640 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.773 6.421 -0.585 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.670 7.287 0.966 1.00 0.00 H new ATOM 1165 N ASP A 71 0.734 8.389 -2.765 1.00 0.00 N ATOM 1166 CA ASP A 71 1.243 9.115 -3.923 1.00 0.00 C ATOM 1167 C ASP A 71 2.389 10.039 -3.525 1.00 0.00 C ATOM 1168 O ASP A 71 2.184 11.227 -3.274 1.00 0.00 O ATOM 1169 CB ASP A 71 0.123 9.925 -4.581 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.587 10.836 -3.599 1.00 0.00 C ATOM 1171 OD1 ASP A 71 -0.919 10.369 -2.490 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.810 12.016 -3.941 1.00 0.00 O ATOM 0 H ASP A 71 0.815 8.894 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 71 1.620 8.385 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.539 10.523 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.600 9.243 -5.028 1.00 0.00 H new ATOM 1177 N LEU A 72 3.597 9.486 -3.468 1.00 0.00 N ATOM 1178 CA LEU A 72 4.775 10.260 -3.100 1.00 0.00 C ATOM 1179 C LEU A 72 5.286 11.074 -4.284 1.00 0.00 C ATOM 1180 O LEU A 72 5.782 12.189 -4.118 1.00 0.00 O ATOM 1181 CB LEU A 72 5.882 9.336 -2.588 1.00 0.00 C ATOM 1182 CG LEU A 72 5.602 8.670 -1.239 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.818 7.883 -0.772 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.206 9.712 -0.204 1.00 0.00 C ATOM 0 H LEU A 72 3.784 8.504 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 72 4.489 10.949 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.056 8.557 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.805 9.911 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 72 4.771 7.975 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.602 7.416 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.056 7.112 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.668 8.557 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.010 9.222 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.016 10.431 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.307 10.231 -0.536 1.00 0.00 H new ATOM 1196 N GLY A 73 5.165 10.508 -5.481 1.00 0.00 N ATOM 1197 CA GLY A 73 5.621 11.195 -6.674 1.00 0.00 C ATOM 1198 C GLY A 73 7.131 11.173 -6.815 1.00 0.00 C ATOM 1199 O GLY A 73 7.837 11.893 -6.109 1.00 0.00 O ATOM 0 H GLY A 73 4.760 9.587 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.171 10.731 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.277 12.229 -6.648 1.00 0.00 H new ATOM 1203 N ASP A 74 7.626 10.340 -7.725 1.00 0.00 N ATOM 1204 CA ASP A 74 9.062 10.225 -7.955 1.00 0.00 C ATOM 1205 C ASP A 74 9.774 9.736 -6.697 1.00 0.00 C ATOM 1206 O ASP A 74 9.191 9.704 -5.613 1.00 0.00 O ATOM 1207 CB ASP A 74 9.641 11.573 -8.392 1.00 0.00 C ATOM 1208 CG ASP A 74 9.735 11.698 -9.901 1.00 0.00 C ATOM 1209 OD1 ASP A 74 10.705 11.165 -10.481 1.00 0.00 O ATOM 1210 OD2 ASP A 74 8.839 12.327 -10.500 1.00 0.00 O ATOM 0 H ASP A 74 7.054 9.735 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 74 9.221 9.496 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.018 12.377 -8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.633 11.698 -7.957 1.00 0.00 H new ATOM 1215 N GLU A 75 11.038 9.355 -6.850 1.00 0.00 N ATOM 1216 CA GLU A 75 11.829 8.866 -5.727 1.00 0.00 C ATOM 1217 C GLU A 75 12.868 9.901 -5.304 1.00 0.00 C ATOM 1218 O GLU A 75 13.956 9.553 -4.843 1.00 0.00 O ATOM 1219 CB GLU A 75 12.519 7.549 -6.099 1.00 0.00 C ATOM 1220 CG GLU A 75 11.982 6.347 -5.339 1.00 0.00 C ATOM 1221 CD GLU A 75 10.632 5.887 -5.852 1.00 0.00 C ATOM 1222 OE1 GLU A 75 9.732 6.743 -6.003 1.00 0.00 O ATOM 1223 OE2 GLU A 75 10.472 4.675 -6.103 1.00 0.00 O ATOM 0 H GLU A 75 11.536 9.375 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 75 11.157 8.690 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.400 7.375 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.588 7.642 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.694 5.526 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.898 6.598 -4.282 1.00 0.00 H new ATOM 1230 N GLU A 76 12.524 11.176 -5.463 1.00 0.00 N ATOM 1231 CA GLU A 76 13.428 12.261 -5.098 1.00 0.00 C ATOM 1232 C GLU A 76 13.451 12.466 -3.587 1.00 0.00 C ATOM 1233 O GLU A 76 14.379 12.030 -2.906 1.00 0.00 O ATOM 1234 CB GLU A 76 13.010 13.557 -5.796 1.00 0.00 C ATOM 1235 CG GLU A 76 13.308 13.568 -7.288 1.00 0.00 C ATOM 1236 CD GLU A 76 12.432 14.543 -8.049 1.00 0.00 C ATOM 1237 OE1 GLU A 76 12.095 15.604 -7.483 1.00 0.00 O ATOM 1238 OE2 GLU A 76 12.084 14.246 -9.211 1.00 0.00 O ATOM 0 H GLU A 76 11.628 11.482 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 76 14.432 11.989 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.942 13.712 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.523 14.395 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.355 13.828 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.165 12.565 -7.691 1.00 0.00 H new ATOM 1245 N GLU A 77 12.427 13.133 -3.070 1.00 0.00 N ATOM 1246 CA GLU A 77 12.328 13.399 -1.640 1.00 0.00 C ATOM 1247 C GLU A 77 10.870 13.375 -1.180 1.00 0.00 C ATOM 1248 O GLU A 77 10.099 14.278 -1.501 1.00 0.00 O ATOM 1249 CB GLU A 77 12.954 14.755 -1.311 1.00 0.00 C ATOM 1250 CG GLU A 77 14.474 14.754 -1.372 1.00 0.00 C ATOM 1251 CD GLU A 77 15.110 15.297 -0.108 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.605 14.989 0.993 1.00 0.00 O ATOM 1253 OE2 GLU A 77 16.115 16.031 -0.216 1.00 0.00 O ATOM 0 H GLU A 77 11.651 13.501 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 77 12.870 12.615 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.571 15.501 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.639 15.059 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.826 13.737 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.800 15.351 -2.223 1.00 0.00 H new ATOM 1260 N PRO A 78 10.472 12.337 -0.419 1.00 0.00 N ATOM 1261 CA PRO A 78 9.099 12.210 0.080 1.00 0.00 C ATOM 1262 C PRO A 78 8.614 13.477 0.777 1.00 0.00 C ATOM 1263 O PRO A 78 9.415 14.304 1.213 1.00 0.00 O ATOM 1264 CB PRO A 78 9.189 11.052 1.076 1.00 0.00 C ATOM 1265 CG PRO A 78 10.342 10.238 0.604 1.00 0.00 C ATOM 1266 CD PRO A 78 11.323 11.212 0.014 1.00 0.00 C ATOM 0 HA PRO A 78 8.387 12.041 -0.728 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.349 11.414 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.269 10.467 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.791 9.683 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.025 9.506 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.065 11.529 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.868 10.776 -0.823 1.00 0.00 H new ATOM 1274 N ASN A 79 7.296 13.624 0.879 1.00 0.00 N ATOM 1275 CA ASN A 79 6.704 14.791 1.521 1.00 0.00 C ATOM 1276 C ASN A 79 6.503 14.547 3.015 1.00 0.00 C ATOM 1277 O ASN A 79 6.990 13.560 3.563 1.00 0.00 O ATOM 1278 CB ASN A 79 5.368 15.138 0.859 1.00 0.00 C ATOM 1279 CG ASN A 79 4.329 14.050 1.043 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.663 12.873 1.187 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.059 14.437 1.039 1.00 0.00 N ATOM 0 H ASN A 79 6.619 12.949 0.525 1.00 0.00 H new ATOM 0 HA ASN A 79 7.388 15.631 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.990 16.071 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.527 15.308 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.316 13.749 1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.827 15.423 0.917 1.00 0.00 H new ATOM 1288 N GLU A 80 5.783 15.457 3.668 1.00 0.00 N ATOM 1289 CA GLU A 80 5.517 15.344 5.098 1.00 0.00 C ATOM 1290 C GLU A 80 4.875 14.001 5.439 1.00 0.00 C ATOM 1291 O GLU A 80 4.963 13.532 6.575 1.00 0.00 O ATOM 1292 CB GLU A 80 4.609 16.486 5.559 1.00 0.00 C ATOM 1293 CG GLU A 80 4.395 16.525 7.063 1.00 0.00 C ATOM 1294 CD GLU A 80 3.769 17.824 7.529 1.00 0.00 C ATOM 1295 OE1 GLU A 80 4.241 18.898 7.101 1.00 0.00 O ATOM 1296 OE2 GLU A 80 2.806 17.767 8.323 1.00 0.00 O ATOM 0 H GLU A 80 5.374 16.281 3.228 1.00 0.00 H new ATOM 0 HA GLU A 80 6.471 15.408 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.040 17.434 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.642 16.392 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.756 15.692 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.352 16.386 7.566 1.00 0.00 H new ATOM 1303 N ALA A 81 4.228 13.385 4.453 1.00 0.00 N ATOM 1304 CA ALA A 81 3.570 12.098 4.655 1.00 0.00 C ATOM 1305 C ALA A 81 4.528 11.078 5.265 1.00 0.00 C ATOM 1306 O ALA A 81 4.220 10.455 6.281 1.00 0.00 O ATOM 1307 CB ALA A 81 3.014 11.580 3.337 1.00 0.00 C ATOM 0 H ALA A 81 4.146 13.756 3.507 1.00 0.00 H new ATOM 0 HA ALA A 81 2.747 12.245 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.526 10.619 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.290 12.293 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.828 11.456 2.622 1.00 0.00 H new ATOM 1313 N TRP A 82 5.688 10.912 4.640 1.00 0.00 N ATOM 1314 CA TRP A 82 6.689 9.967 5.124 1.00 0.00 C ATOM 1315 C TRP A 82 7.100 10.293 6.556 1.00 0.00 C ATOM 1316 O TRP A 82 7.451 9.402 7.330 1.00 0.00 O ATOM 1317 CB TRP A 82 7.918 9.981 4.212 1.00 0.00 C ATOM 1318 CG TRP A 82 8.748 8.738 4.316 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.095 8.667 4.526 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.285 7.385 4.216 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.498 7.354 4.563 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.406 6.549 4.374 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.032 6.802 4.008 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.309 5.160 4.331 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.938 5.423 3.966 1.00 0.00 C ATOM 1326 CH2 TRP A 82 8.071 4.617 4.127 1.00 0.00 C ATOM 0 H TRP A 82 5.959 11.419 3.797 1.00 0.00 H new ATOM 0 HA TRP A 82 6.247 8.971 5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.594 10.108 3.179 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.536 10.844 4.460 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.748 9.519 4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.455 7.031 4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.153 7.417 3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.181 4.534 4.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.975 4.961 3.806 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.965 3.543 4.089 1.00 0.00 H new ATOM 1337 N GLU A 83 7.056 11.576 6.904 1.00 0.00 N ATOM 1338 CA GLU A 83 7.424 12.017 8.243 1.00 0.00 C ATOM 1339 C GLU A 83 6.362 11.608 9.259 1.00 0.00 C ATOM 1340 O GLU A 83 6.669 11.352 10.424 1.00 0.00 O ATOM 1341 CB GLU A 83 7.614 13.535 8.269 1.00 0.00 C ATOM 1342 CG GLU A 83 8.832 14.008 7.491 1.00 0.00 C ATOM 1343 CD GLU A 83 8.625 15.370 6.857 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.825 16.161 7.399 1.00 0.00 O ATOM 1345 OE2 GLU A 83 9.264 15.645 5.820 1.00 0.00 O ATOM 0 H GLU A 83 6.769 12.327 6.276 1.00 0.00 H new ATOM 0 HA GLU A 83 8.365 11.536 8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.724 14.012 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.704 13.864 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.692 14.049 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.067 13.281 6.713 1.00 0.00 H new ATOM 1352 N VAL A 84 5.113 11.547 8.810 1.00 0.00 N ATOM 1353 CA VAL A 84 4.005 11.168 9.680 1.00 0.00 C ATOM 1354 C VAL A 84 3.887 9.652 9.783 1.00 0.00 C ATOM 1355 O VAL A 84 3.831 9.096 10.880 1.00 0.00 O ATOM 1356 CB VAL A 84 2.669 11.743 9.173 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.554 11.467 10.171 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.796 13.235 8.902 1.00 0.00 C ATOM 0 H VAL A 84 4.842 11.755 7.849 1.00 0.00 H new ATOM 0 HA VAL A 84 4.218 11.583 10.665 1.00 0.00 H new ATOM 0 HB VAL A 84 2.416 11.248 8.235 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.618 11.881 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.446 10.391 10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.798 11.931 11.127 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.842 13.622 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.075 13.749 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.562 13.403 8.145 1.00 0.00 H new ATOM 1368 N VAL A 85 3.850 8.987 8.633 1.00 0.00 N ATOM 1369 CA VAL A 85 3.738 7.534 8.593 1.00 0.00 C ATOM 1370 C VAL A 85 4.877 6.872 9.363 1.00 0.00 C ATOM 1371 O VAL A 85 4.665 5.906 10.094 1.00 0.00 O ATOM 1372 CB VAL A 85 3.743 7.007 7.145 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.455 5.515 7.116 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.736 7.770 6.296 1.00 0.00 C ATOM 0 H VAL A 85 3.896 9.432 7.716 1.00 0.00 H new ATOM 0 HA VAL A 85 2.787 7.280 9.062 1.00 0.00 H new ATOM 0 HB VAL A 85 4.735 7.168 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.463 5.163 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.219 4.986 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.476 5.325 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.753 7.384 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.738 7.644 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.995 8.829 6.288 1.00 0.00 H new ATOM 1384 N ARG A 86 6.084 7.401 9.193 1.00 0.00 N ATOM 1385 CA ARG A 86 7.258 6.864 9.871 1.00 0.00 C ATOM 1386 C ARG A 86 7.227 7.190 11.363 1.00 0.00 C ATOM 1387 O ARG A 86 7.865 6.511 12.168 1.00 0.00 O ATOM 1388 CB ARG A 86 8.536 7.422 9.243 1.00 0.00 C ATOM 1389 CG ARG A 86 9.810 6.889 9.877 1.00 0.00 C ATOM 1390 CD ARG A 86 10.973 6.906 8.897 1.00 0.00 C ATOM 1391 NE ARG A 86 11.519 5.569 8.672 1.00 0.00 N ATOM 1392 CZ ARG A 86 12.515 5.307 7.830 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.076 6.285 7.129 1.00 0.00 N ATOM 1394 NH2 ARG A 86 12.951 4.063 7.686 1.00 0.00 N ATOM 0 H ARG A 86 6.275 8.202 8.591 1.00 0.00 H new ATOM 0 HA ARG A 86 7.246 5.780 9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.542 7.183 8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.527 8.509 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.061 7.490 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.644 5.870 10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.641 7.327 7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.758 7.559 9.278 1.00 0.00 H new ATOM 0 HE ARG A 86 11.112 4.791 9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.744 7.244 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.839 6.078 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.523 3.307 8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.715 3.862 7.040 1.00 0.00 H new ATOM 1408 N GLY A 87 6.486 8.232 11.725 1.00 0.00 N ATOM 1409 CA GLY A 87 6.394 8.628 13.117 1.00 0.00 C ATOM 1410 C GLY A 87 5.346 7.845 13.887 1.00 0.00 C ATOM 1411 O GLY A 87 5.364 7.821 15.118 1.00 0.00 O ATOM 0 H GLY A 87 5.948 8.809 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.365 8.491 13.593 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.159 9.691 13.172 1.00 0.00 H new ATOM 1415 N THR A 88 4.430 7.202 13.167 1.00 0.00 N ATOM 1416 CA THR A 88 3.374 6.418 13.800 1.00 0.00 C ATOM 1417 C THR A 88 3.964 5.309 14.671 1.00 0.00 C ATOM 1418 O THR A 88 4.939 4.663 14.289 1.00 0.00 O ATOM 1419 CB THR A 88 2.452 5.812 12.741 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.181 4.983 11.855 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.730 6.851 11.910 1.00 0.00 C ATOM 0 H THR A 88 4.398 7.209 12.148 1.00 0.00 H new ATOM 0 HA THR A 88 2.795 7.087 14.436 1.00 0.00 H new ATOM 0 HB THR A 88 1.712 5.238 13.298 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.452 5.502 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.093 6.354 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.117 7.475 12.560 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.459 7.474 11.392 1.00 0.00 H new ATOM 1429 N PRO A 89 3.377 5.071 15.858 1.00 0.00 N ATOM 1430 CA PRO A 89 3.852 4.033 16.776 1.00 0.00 C ATOM 1431 C PRO A 89 3.486 2.631 16.301 1.00 0.00 C ATOM 1432 O PRO A 89 2.330 2.216 16.390 1.00 0.00 O ATOM 1433 CB PRO A 89 3.124 4.360 18.080 1.00 0.00 C ATOM 1434 CG PRO A 89 1.865 5.029 17.649 1.00 0.00 C ATOM 1435 CD PRO A 89 2.206 5.793 16.397 1.00 0.00 C ATOM 0 HA PRO A 89 4.938 4.030 16.865 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.917 3.458 18.655 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.723 5.013 18.715 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.080 4.297 17.457 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.494 5.698 18.425 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.376 5.795 15.690 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.442 6.835 16.615 1.00 0.00 H new ATOM 1443 N GLY A 90 4.478 1.907 15.793 1.00 0.00 N ATOM 1444 CA GLY A 90 4.239 0.560 15.308 1.00 0.00 C ATOM 1445 C GLY A 90 4.822 0.322 13.928 1.00 0.00 C ATOM 1446 O GLY A 90 4.984 -0.822 13.505 1.00 0.00 O ATOM 0 H GLY A 90 5.442 2.229 15.709 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.670 -0.156 16.008 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.165 0.373 15.281 1.00 0.00 H new ATOM 1450 N ILE A 91 5.136 1.405 13.222 1.00 0.00 N ATOM 1451 CA ILE A 91 5.701 1.304 11.882 1.00 0.00 C ATOM 1452 C ILE A 91 7.198 1.001 11.945 1.00 0.00 C ATOM 1453 O ILE A 91 7.951 1.682 12.640 1.00 0.00 O ATOM 1454 CB ILE A 91 5.460 2.602 11.075 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.403 2.297 9.572 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.523 3.651 11.382 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.759 2.111 8.921 1.00 0.00 C ATOM 0 H ILE A 91 5.009 2.360 13.556 1.00 0.00 H new ATOM 0 HA ILE A 91 5.196 0.482 11.374 1.00 0.00 H new ATOM 0 HB ILE A 91 4.497 3.014 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.813 1.394 9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.879 3.109 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.325 4.551 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.498 3.894 12.444 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.506 3.259 11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.627 1.899 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.347 3.021 9.039 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.279 1.279 9.395 1.00 0.00 H new ATOM 1469 N THR A 92 7.618 -0.028 11.220 1.00 0.00 N ATOM 1470 CA THR A 92 9.022 -0.424 11.197 1.00 0.00 C ATOM 1471 C THR A 92 9.697 0.023 9.905 1.00 0.00 C ATOM 1472 O THR A 92 10.904 0.265 9.875 1.00 0.00 O ATOM 1473 CB THR A 92 9.147 -1.940 11.353 1.00 0.00 C ATOM 1474 OG1 THR A 92 8.463 -2.382 12.513 1.00 0.00 O ATOM 1475 CG2 THR A 92 10.580 -2.416 11.454 1.00 0.00 C ATOM 0 H THR A 92 7.008 -0.604 10.640 1.00 0.00 H new ATOM 0 HA THR A 92 9.523 0.065 12.032 1.00 0.00 H new ATOM 0 HB THR A 92 8.706 -2.361 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.553 -3.354 12.595 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.596 -3.500 11.563 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.122 -2.134 10.551 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.056 -1.957 12.321 1.00 0.00 H new ATOM 1483 N GLY A 93 8.912 0.128 8.838 1.00 0.00 N ATOM 1484 CA GLY A 93 9.455 0.542 7.558 1.00 0.00 C ATOM 1485 C GLY A 93 9.782 -0.637 6.665 1.00 0.00 C ATOM 1486 O GLY A 93 9.287 -0.734 5.541 1.00 0.00 O ATOM 0 H GLY A 93 7.911 -0.066 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.738 1.189 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.357 1.132 7.722 1.00 0.00 H new ATOM 1490 N PHE A 94 10.616 -1.542 7.170 1.00 0.00 N ATOM 1491 CA PHE A 94 11.010 -2.727 6.416 1.00 0.00 C ATOM 1492 C PHE A 94 11.434 -3.849 7.359 1.00 0.00 C ATOM 1493 O PHE A 94 11.483 -3.666 8.574 1.00 0.00 O ATOM 1494 CB PHE A 94 12.148 -2.400 5.448 1.00 0.00 C ATOM 1495 CG PHE A 94 11.958 -1.111 4.702 1.00 0.00 C ATOM 1496 CD1 PHE A 94 12.327 0.097 5.270 1.00 0.00 C ATOM 1497 CD2 PHE A 94 11.408 -1.108 3.430 1.00 0.00 C ATOM 1498 CE1 PHE A 94 12.153 1.283 4.585 1.00 0.00 C ATOM 1499 CE2 PHE A 94 11.231 0.074 2.739 1.00 0.00 C ATOM 1500 CZ PHE A 94 11.603 1.273 3.317 1.00 0.00 C ATOM 0 H PHE A 94 11.032 -1.477 8.099 1.00 0.00 H new ATOM 0 HA PHE A 94 10.147 -3.061 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 94 13.084 -2.352 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 94 12.246 -3.214 4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 94 12.756 0.111 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.114 -2.042 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.446 2.218 5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 94 10.802 0.062 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.464 2.199 2.779 1.00 0.00 H new ATOM 1510 N VAL A 95 11.736 -5.011 6.788 1.00 0.00 N ATOM 1511 CA VAL A 95 12.151 -6.166 7.576 1.00 0.00 C ATOM 1512 C VAL A 95 13.346 -5.833 8.466 1.00 0.00 C ATOM 1513 O VAL A 95 13.228 -5.800 9.691 1.00 0.00 O ATOM 1514 CB VAL A 95 12.515 -7.360 6.673 1.00 0.00 C ATOM 1515 CG1 VAL A 95 12.748 -8.610 7.508 1.00 0.00 C ATOM 1516 CG2 VAL A 95 11.428 -7.597 5.635 1.00 0.00 C ATOM 0 H VAL A 95 11.701 -5.178 5.782 1.00 0.00 H new ATOM 0 HA VAL A 95 11.302 -6.438 8.204 1.00 0.00 H new ATOM 0 HB VAL A 95 13.441 -7.125 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 95 13.004 -9.443 6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 95 13.566 -8.434 8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.842 -8.851 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.703 -8.444 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.485 -7.810 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.316 -6.707 5.015 1.00 0.00 H new ATOM 1526 N GLY A 96 14.494 -5.586 7.844 1.00 0.00 N ATOM 1527 CA GLY A 96 15.689 -5.260 8.599 1.00 0.00 C ATOM 1528 C GLY A 96 16.777 -4.657 7.733 1.00 0.00 C ATOM 1529 O GLY A 96 17.729 -5.340 7.354 1.00 0.00 O ATOM 0 H GLY A 96 14.618 -5.606 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.433 -4.560 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.069 -6.162 9.079 1.00 0.00 H new ATOM 1533 N ALA A 97 16.637 -3.373 7.419 1.00 0.00 N ATOM 1534 CA ALA A 97 17.615 -2.677 6.592 1.00 0.00 C ATOM 1535 C ALA A 97 17.273 -1.197 6.468 1.00 0.00 C ATOM 1536 O ALA A 97 16.146 -0.784 6.740 1.00 0.00 O ATOM 1537 CB ALA A 97 17.697 -3.320 5.215 1.00 0.00 C ATOM 0 H ALA A 97 15.855 -2.794 7.725 1.00 0.00 H new ATOM 0 HA ALA A 97 18.588 -2.759 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.431 -2.789 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 97 17.997 -4.363 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.722 -3.269 4.731 1.00 0.00 H new ATOM 1543 N GLY A 98 18.254 -0.401 6.055 1.00 0.00 N ATOM 1544 CA GLY A 98 18.038 1.026 5.901 1.00 0.00 C ATOM 1545 C GLY A 98 18.113 1.471 4.455 1.00 0.00 C ATOM 1546 O GLY A 98 19.189 1.799 3.954 1.00 0.00 O ATOM 0 H GLY A 98 19.195 -0.719 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.062 1.289 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.783 1.568 6.484 1.00 0.00 H new ATOM 1550 N MET A 99 16.968 1.484 3.781 1.00 0.00 N ATOM 1551 CA MET A 99 16.909 1.892 2.382 1.00 0.00 C ATOM 1552 C MET A 99 15.605 2.623 2.083 1.00 0.00 C ATOM 1553 O MET A 99 14.817 2.909 2.986 1.00 0.00 O ATOM 1554 CB MET A 99 17.049 0.675 1.468 1.00 0.00 C ATOM 1555 CG MET A 99 17.906 0.931 0.238 1.00 0.00 C ATOM 1556 SD MET A 99 19.336 -0.163 0.141 1.00 0.00 S ATOM 1557 CE MET A 99 18.627 -1.572 -0.707 1.00 0.00 C ATOM 0 H MET A 99 16.068 1.217 4.181 1.00 0.00 H new ATOM 0 HA MET A 99 17.737 2.575 2.193 1.00 0.00 H new ATOM 0 HB2 MET A 99 17.482 -0.148 2.037 1.00 0.00 H new ATOM 0 HB3 MET A 99 16.057 0.355 1.149 1.00 0.00 H new ATOM 0 HG2 MET A 99 17.296 0.804 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 99 18.247 1.966 0.247 1.00 0.00 H new ATOM 0 HE1 MET A 99 19.391 -2.338 -0.842 1.00 0.00 H new ATOM 0 HE2 MET A 99 17.807 -1.978 -0.115 1.00 0.00 H new ATOM 0 HE3 MET A 99 18.251 -1.259 -1.681 1.00 0.00 H new ATOM 1567 N ARG A 100 15.382 2.923 0.808 1.00 0.00 N ATOM 1568 CA ARG A 100 14.172 3.619 0.384 1.00 0.00 C ATOM 1569 C ARG A 100 12.987 2.659 0.315 1.00 0.00 C ATOM 1570 O ARG A 100 13.167 1.443 0.272 1.00 0.00 O ATOM 1571 CB ARG A 100 14.393 4.276 -0.981 1.00 0.00 C ATOM 1572 CG ARG A 100 15.333 5.471 -0.936 1.00 0.00 C ATOM 1573 CD ARG A 100 14.579 6.782 -1.091 1.00 0.00 C ATOM 1574 NE ARG A 100 15.318 7.745 -1.904 1.00 0.00 N ATOM 1575 CZ ARG A 100 15.066 9.051 -1.918 1.00 0.00 C ATOM 1576 NH1 ARG A 100 14.096 9.555 -1.165 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.786 9.858 -2.685 1.00 0.00 N ATOM 0 H ARG A 100 16.024 2.695 0.049 1.00 0.00 H new ATOM 0 HA ARG A 100 13.947 4.390 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 100 14.795 3.534 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.431 4.596 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.876 5.472 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 100 16.075 5.381 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.609 6.590 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.388 7.209 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 100 16.072 7.395 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.539 8.940 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.907 10.557 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.534 9.477 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.592 10.859 -2.695 1.00 0.00 H new ATOM 1591 N PRO A 101 11.753 3.195 0.303 1.00 0.00 N ATOM 1592 CA PRO A 101 10.539 2.376 0.234 1.00 0.00 C ATOM 1593 C PRO A 101 10.603 1.344 -0.887 1.00 0.00 C ATOM 1594 O PRO A 101 11.560 1.316 -1.661 1.00 0.00 O ATOM 1595 CB PRO A 101 9.436 3.400 -0.036 1.00 0.00 C ATOM 1596 CG PRO A 101 9.953 4.673 0.538 1.00 0.00 C ATOM 1597 CD PRO A 101 11.445 4.638 0.349 1.00 0.00 C ATOM 0 HA PRO A 101 10.383 1.796 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.239 3.498 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.498 3.105 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.516 5.534 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.695 4.758 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 101 11.745 5.142 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.965 5.133 1.169 1.00 0.00 H new ATOM 1605 N VAL A 102 9.584 0.492 -0.968 1.00 0.00 N ATOM 1606 CA VAL A 102 9.539 -0.541 -1.995 1.00 0.00 C ATOM 1607 C VAL A 102 8.176 -0.583 -2.686 1.00 0.00 C ATOM 1608 O VAL A 102 7.342 -1.436 -2.385 1.00 0.00 O ATOM 1609 CB VAL A 102 9.854 -1.931 -1.402 1.00 0.00 C ATOM 1610 CG1 VAL A 102 8.860 -2.285 -0.306 1.00 0.00 C ATOM 1611 CG2 VAL A 102 9.864 -2.995 -2.493 1.00 0.00 C ATOM 0 H VAL A 102 8.783 0.497 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 102 10.300 -0.287 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 102 10.849 -1.895 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 102 9.100 -3.268 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.915 -1.542 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.852 -2.299 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.088 -3.966 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.887 -3.032 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.624 -2.749 -3.234 1.00 0.00 H new ATOM 1621 N PRO A 103 7.935 0.341 -3.633 1.00 0.00 N ATOM 1622 CA PRO A 103 6.672 0.401 -4.372 1.00 0.00 C ATOM 1623 C PRO A 103 6.602 -0.656 -5.469 1.00 0.00 C ATOM 1624 O PRO A 103 7.617 -0.998 -6.078 1.00 0.00 O ATOM 1625 CB PRO A 103 6.697 1.802 -4.978 1.00 0.00 C ATOM 1626 CG PRO A 103 8.143 2.101 -5.173 1.00 0.00 C ATOM 1627 CD PRO A 103 8.876 1.395 -4.060 1.00 0.00 C ATOM 0 HA PRO A 103 5.807 0.210 -3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.154 1.835 -5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.228 2.529 -4.315 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.484 1.750 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.326 3.175 -5.139 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.819 0.973 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.113 2.075 -3.242 1.00 0.00 H new ATOM 1635 N LEU A 104 5.405 -1.174 -5.717 1.00 0.00 N ATOM 1636 CA LEU A 104 5.216 -2.195 -6.744 1.00 0.00 C ATOM 1637 C LEU A 104 5.027 -1.554 -8.115 1.00 0.00 C ATOM 1638 O LEU A 104 4.752 -0.359 -8.221 1.00 0.00 O ATOM 1639 CB LEU A 104 4.009 -3.083 -6.416 1.00 0.00 C ATOM 1640 CG LEU A 104 3.796 -3.404 -4.931 1.00 0.00 C ATOM 1641 CD1 LEU A 104 5.125 -3.521 -4.195 1.00 0.00 C ATOM 1642 CD2 LEU A 104 2.909 -2.351 -4.281 1.00 0.00 C ATOM 0 H LEU A 104 4.553 -0.906 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 104 6.112 -2.815 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.111 -2.596 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.115 -4.022 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 104 3.294 -4.369 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.941 -3.749 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.719 -4.319 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.668 -2.579 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.768 -2.594 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.382 -1.373 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.941 -2.331 -4.782 1.00 0.00 H new ATOM 1654 N SER A 105 5.177 -2.357 -9.163 1.00 0.00 N ATOM 1655 CA SER A 105 5.022 -1.870 -10.529 1.00 0.00 C ATOM 1656 C SER A 105 3.573 -2.001 -10.991 1.00 0.00 C ATOM 1657 O SER A 105 2.851 -2.893 -10.546 1.00 0.00 O ATOM 1658 CB SER A 105 5.946 -2.641 -11.475 1.00 0.00 C ATOM 1659 OG SER A 105 7.106 -3.093 -10.799 1.00 0.00 O ATOM 0 H SER A 105 5.406 -3.348 -9.093 1.00 0.00 H new ATOM 0 HA SER A 105 5.295 -0.815 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.412 -3.493 -11.896 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.234 -2.001 -12.309 1.00 0.00 H new ATOM 0 HG SER A 105 7.679 -3.584 -11.425 1.00 0.00 H new ATOM 1665 N PRO A 106 3.128 -1.111 -11.894 1.00 0.00 N ATOM 1666 CA PRO A 106 1.759 -1.132 -12.416 1.00 0.00 C ATOM 1667 C PRO A 106 1.321 -2.528 -12.851 1.00 0.00 C ATOM 1668 O PRO A 106 0.133 -2.849 -12.836 1.00 0.00 O ATOM 1669 CB PRO A 106 1.830 -0.193 -13.621 1.00 0.00 C ATOM 1670 CG PRO A 106 2.923 0.761 -13.288 1.00 0.00 C ATOM 1671 CD PRO A 106 3.927 -0.017 -12.479 1.00 0.00 C ATOM 0 HA PRO A 106 1.030 -0.831 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.047 -0.740 -14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.884 0.326 -13.776 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.379 1.162 -14.193 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.540 1.610 -12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.735 -0.400 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.386 0.601 -11.707 1.00 0.00 H new ATOM 1679 N ASP A 107 2.288 -3.352 -13.238 1.00 0.00 N ATOM 1680 CA ASP A 107 2.001 -4.713 -13.676 1.00 0.00 C ATOM 1681 C ASP A 107 1.765 -5.634 -12.484 1.00 0.00 C ATOM 1682 O ASP A 107 0.806 -6.406 -12.463 1.00 0.00 O ATOM 1683 CB ASP A 107 3.155 -5.249 -14.528 1.00 0.00 C ATOM 1684 CG ASP A 107 2.963 -4.964 -16.005 1.00 0.00 C ATOM 1685 OD1 ASP A 107 1.799 -4.873 -16.445 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.978 -4.835 -16.722 1.00 0.00 O ATOM 0 H ASP A 107 3.277 -3.102 -13.257 1.00 0.00 H new ATOM 0 HA ASP A 107 1.092 -4.689 -14.277 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.090 -4.800 -14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.246 -6.325 -14.377 1.00 0.00 H new ATOM 1691 N GLU A 108 2.647 -5.550 -11.492 1.00 0.00 N ATOM 1692 CA GLU A 108 2.534 -6.377 -10.296 1.00 0.00 C ATOM 1693 C GLU A 108 1.387 -5.901 -9.409 1.00 0.00 C ATOM 1694 O GLU A 108 0.763 -6.697 -8.707 1.00 0.00 O ATOM 1695 CB GLU A 108 3.845 -6.354 -9.508 1.00 0.00 C ATOM 1696 CG GLU A 108 4.038 -7.568 -8.614 1.00 0.00 C ATOM 1697 CD GLU A 108 4.442 -7.196 -7.201 1.00 0.00 C ATOM 1698 OE1 GLU A 108 3.547 -6.856 -6.399 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.652 -7.245 -6.897 1.00 0.00 O ATOM 0 H GLU A 108 3.447 -4.918 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 108 2.325 -7.399 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.679 -6.292 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.875 -5.453 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.112 -8.142 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.801 -8.215 -9.047 1.00 0.00 H new ATOM 1706 N VAL A 109 1.115 -4.601 -9.446 1.00 0.00 N ATOM 1707 CA VAL A 109 0.044 -4.023 -8.647 1.00 0.00 C ATOM 1708 C VAL A 109 -1.312 -4.591 -9.056 1.00 0.00 C ATOM 1709 O VAL A 109 -2.051 -5.118 -8.225 1.00 0.00 O ATOM 1710 CB VAL A 109 0.011 -2.487 -8.779 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.074 -1.891 -7.894 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.370 -1.894 -8.438 1.00 0.00 C ATOM 0 H VAL A 109 1.622 -3.929 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 109 0.245 -4.284 -7.608 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.223 -2.238 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.078 -0.807 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.044 -2.289 -8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.878 -2.150 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.329 -0.809 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.634 -2.156 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.122 -2.292 -9.120 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.633 -4.479 -10.339 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.902 -4.981 -10.852 1.00 0.00 C ATOM 1724 C ARG A 110 -3.083 -6.461 -10.522 1.00 0.00 C ATOM 1725 O ARG A 110 -4.208 -6.954 -10.442 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.987 -4.765 -12.366 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.242 -4.029 -12.805 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.383 -2.693 -12.091 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.880 -1.647 -12.983 1.00 0.00 N ATOM 1730 CZ ARG A 110 -5.423 -0.507 -12.558 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -5.543 -0.265 -11.258 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -5.848 0.391 -13.436 1.00 0.00 N ATOM 0 H ARG A 110 -1.034 -4.046 -11.042 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.704 -4.424 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.113 -4.203 -12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.950 -5.733 -12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.211 -3.866 -13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.117 -4.646 -12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.063 -2.803 -11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.416 -2.395 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.807 -1.799 -13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.219 -0.954 -10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.959 0.610 -10.938 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.759 0.209 -14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.264 1.264 -13.112 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.971 -7.164 -10.329 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.015 -8.584 -10.006 1.00 0.00 C ATOM 1748 C HIS A 111 -2.368 -8.794 -8.538 1.00 0.00 C ATOM 1749 O HIS A 111 -3.198 -9.640 -8.204 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.671 -9.244 -10.324 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.702 -10.104 -11.549 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.801 -11.478 -11.502 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -0.646 -9.777 -12.862 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.804 -11.960 -12.733 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.712 -10.949 -13.575 1.00 0.00 N ATOM 0 H HIS A 111 -1.031 -6.773 -10.391 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.789 -9.048 -10.617 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.084 -8.468 -10.453 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.362 -9.850 -9.472 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.565 -8.781 -13.272 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.870 -13.004 -13.003 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -0.693 -11.025 -14.592 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.735 -8.019 -7.662 1.00 0.00 N ATOM 1765 CA ILE A 112 -1.990 -8.125 -6.231 1.00 0.00 C ATOM 1766 C ILE A 112 -3.359 -7.550 -5.876 1.00 0.00 C ATOM 1767 O ILE A 112 -3.993 -7.985 -4.916 1.00 0.00 O ATOM 1768 CB ILE A 112 -0.905 -7.410 -5.401 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.800 -5.938 -5.803 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.436 -8.107 -5.573 1.00 0.00 C ATOM 1771 CD1 ILE A 112 0.242 -5.169 -5.022 1.00 0.00 C ATOM 0 H ILE A 112 -1.044 -7.313 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.969 -9.187 -5.986 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.189 -7.457 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.564 -5.876 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.771 -5.462 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.193 -7.591 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.355 -9.141 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.723 -8.089 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.260 -4.133 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.003 -5.199 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.222 -5.620 -5.181 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.815 -6.578 -6.664 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.114 -5.959 -6.431 1.00 0.00 C ATOM 1785 C LEU A 113 -6.237 -6.879 -6.897 1.00 0.00 C ATOM 1786 O LEU A 113 -7.331 -6.873 -6.333 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.205 -4.614 -7.160 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.247 -3.530 -6.655 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.613 -2.179 -7.250 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -4.262 -3.463 -5.134 1.00 0.00 C ATOM 0 H LEU A 113 -3.306 -6.205 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.222 -5.788 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.013 -4.780 -8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.226 -4.242 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.238 -3.789 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.923 -1.420 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.549 -2.231 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.630 -1.917 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.575 -2.687 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.270 -3.230 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.952 -4.424 -4.724 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.955 -7.676 -7.924 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.940 -8.607 -8.458 1.00 0.00 C ATOM 1804 C GLU A 114 -7.182 -9.749 -7.477 1.00 0.00 C ATOM 1805 O GLU A 114 -8.290 -10.278 -7.382 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.474 -9.164 -9.805 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.607 -9.690 -10.669 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.163 -10.808 -11.594 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -6.523 -11.764 -11.104 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.455 -10.729 -12.805 1.00 0.00 O ATOM 0 H GLU A 114 -5.054 -7.695 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.876 -8.068 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.946 -8.381 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.759 -9.968 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.411 -10.051 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.016 -8.873 -11.263 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.137 -10.117 -6.744 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.230 -11.190 -5.762 1.00 0.00 C ATOM 1819 C VAL A 115 -6.770 -10.665 -4.435 1.00 0.00 C ATOM 1820 O VAL A 115 -7.369 -11.410 -3.659 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.858 -11.850 -5.520 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.998 -13.071 -4.621 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.202 -12.221 -6.841 1.00 0.00 C ATOM 0 H VAL A 115 -5.215 -9.687 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.916 -11.935 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.216 -11.130 -5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.018 -13.521 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.418 -12.770 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.659 -13.797 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.235 -12.685 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.840 -12.921 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.060 -11.323 -7.442 1.00 0.00 H new ATOM 1833 N SER A 116 -6.553 -9.377 -4.181 1.00 0.00 N ATOM 1834 CA SER A 116 -7.016 -8.749 -2.950 1.00 0.00 C ATOM 1835 C SER A 116 -8.538 -8.661 -2.919 1.00 0.00 C ATOM 1836 O SER A 116 -9.164 -8.939 -1.895 1.00 0.00 O ATOM 1837 CB SER A 116 -6.411 -7.350 -2.812 1.00 0.00 C ATOM 1838 OG SER A 116 -7.121 -6.409 -3.597 1.00 0.00 O ATOM 0 H SER A 116 -6.058 -8.748 -4.814 1.00 0.00 H new ATOM 0 HA SER A 116 -6.691 -9.366 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.429 -7.044 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.366 -7.370 -3.120 1.00 0.00 H new ATOM 0 HG SER A 116 -7.156 -6.718 -4.526 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.128 -8.277 -4.045 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.574 -8.163 -4.121 1.00 0.00 C ATOM 1846 C GLY A 117 -11.039 -6.851 -4.731 1.00 0.00 C ATOM 1847 O GLY A 117 -12.240 -6.584 -4.790 1.00 0.00 O ATOM 0 H GLY A 117 -8.633 -8.043 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.967 -8.990 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.993 -8.259 -3.119 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.096 -6.032 -5.188 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.434 -4.748 -5.794 1.00 0.00 C ATOM 1853 C LEU A 118 -10.876 -4.934 -7.241 1.00 0.00 C ATOM 1854 O LEU A 118 -11.989 -4.561 -7.613 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.234 -3.799 -5.735 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.652 -3.568 -4.338 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.610 -2.460 -4.375 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.758 -3.230 -3.346 1.00 0.00 C ATOM 0 H LEU A 118 -9.097 -6.233 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.259 -4.313 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.447 -4.194 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.532 -2.836 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.167 -4.487 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.205 -2.307 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.804 -2.741 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.073 -1.537 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.325 -3.069 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.272 -2.324 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.470 -4.054 -3.300 1.00 0.00 H new ATOM 1870 N LEU A 119 -9.998 -5.512 -8.051 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.296 -5.749 -9.459 1.00 0.00 C ATOM 1872 C LEU A 119 -10.829 -7.162 -9.672 1.00 0.00 C ATOM 1873 O LEU A 119 -11.609 -7.410 -10.594 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.044 -5.527 -10.312 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.461 -4.114 -10.249 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -7.282 -3.981 -11.202 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.531 -3.081 -10.575 1.00 0.00 C ATOM 0 H LEU A 119 -9.073 -5.826 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.065 -5.041 -9.766 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.277 -6.235 -9.996 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.284 -5.759 -11.350 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.105 -3.932 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.880 -2.970 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.507 -4.696 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.613 -4.182 -12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.099 -2.082 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.916 -3.261 -11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.345 -3.160 -9.854 1.00 0.00 H new ATOM 1889 N GLY A 120 -10.405 -8.086 -8.817 1.00 0.00 N ATOM 1890 CA GLY A 120 -10.850 -9.463 -8.928 1.00 0.00 C ATOM 1891 C GLY A 120 -11.857 -9.835 -7.858 1.00 0.00 C ATOM 1892 O GLY A 120 -11.439 -10.372 -6.811 1.00 0.00 O ATOM 1893 OXT GLY A 120 -13.064 -9.589 -8.066 1.00 0.00 O ATOM 0 H GLY A 120 -9.760 -7.906 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -11.294 -9.620 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -9.988 -10.127 -8.858 1.00 0.00 H new TER 1897 GLY A 120