USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 22 HIS : no HE2:sc= -1.1 K(o=0.16,f=-1.1) USER MOD Set 1.2: A 77 SER OG : rot 108:sc= 1.26 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 9 SER OG : rot 110:sc= -2.2! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 24 ASN : amide:sc= -3.95! C(o=-3.9!,f=-10!) USER MOD Single : A 26 ASN : amide:sc= -0.75 X(o=-0.75,f=-1.2) USER MOD Single : A 28 HIS : no HE2:sc= 0.183 K(o=0.18,f=-0.68) USER MOD Single : A 29 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0.021) USER MOD Single : A 32 THR OG1 : rot -150:sc= -1.47 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= -0.0106 (180deg=-0.161) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -39:sc= 0.788 USER MOD Single : A 42 GLN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= -3.83! (180deg=-7.15!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.974 K(o=-0.97,f=0) USER MOD Single : A 70 THR OG1 : rot 69:sc= -1.61! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -166:sc= -3.22! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.725 3.257 -15.047 1.00 0.00 N ATOM 20 CA TYR A 3 4.454 3.015 -14.372 1.00 0.00 C ATOM 21 C TYR A 3 4.269 3.980 -13.205 1.00 0.00 C ATOM 22 O TYR A 3 5.001 3.921 -12.217 1.00 0.00 O ATOM 23 CB TYR A 3 4.385 1.570 -13.872 1.00 0.00 C ATOM 24 CG TYR A 3 3.053 1.202 -13.259 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.982 0.820 -14.058 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.865 1.237 -11.882 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.762 0.484 -13.502 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.649 0.901 -11.320 1.00 0.00 C ATOM 29 CZ TYR A 3 0.601 0.526 -12.133 1.00 0.00 C ATOM 30 OH TYR A 3 -0.612 0.192 -11.576 1.00 0.00 O ATOM 0 HA TYR A 3 3.650 3.181 -15.089 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.590 0.897 -14.704 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.171 1.413 -13.133 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.105 0.785 -15.130 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.683 1.532 -11.241 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.061 0.190 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.520 0.932 -10.248 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.557 0.273 -10.601 1.00 0.00 H new ATOM 40 N TRP A 4 3.288 4.869 -13.327 1.00 0.00 N ATOM 41 CA TRP A 4 3.011 5.845 -12.279 1.00 0.00 C ATOM 42 C TRP A 4 1.509 6.097 -12.150 1.00 0.00 C ATOM 43 O TRP A 4 0.934 6.855 -12.932 1.00 0.00 O ATOM 44 CB TRP A 4 3.734 7.162 -12.573 1.00 0.00 C ATOM 45 CG TRP A 4 3.573 8.186 -11.491 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.549 9.080 -11.351 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.465 8.423 -10.397 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.751 9.856 -10.236 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.921 9.474 -9.634 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.673 7.850 -9.987 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.541 9.960 -8.485 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.287 8.334 -8.847 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.721 9.379 -8.109 1.00 0.00 C ATOM 0 H TRP A 4 2.673 4.934 -14.138 1.00 0.00 H new ATOM 0 HA TRP A 4 3.377 5.439 -11.336 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.796 6.960 -12.717 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.358 7.573 -13.510 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.705 9.164 -12.019 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.131 10.597 -9.909 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.118 7.044 -10.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.106 10.766 -7.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.220 7.898 -8.521 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.227 9.735 -7.223 1.00 0.00 H new ATOM 64 N PRO A 5 0.849 5.460 -11.163 1.00 0.00 N ATOM 65 CA PRO A 5 -0.590 5.631 -10.941 1.00 0.00 C ATOM 66 C PRO A 5 -0.948 7.070 -10.580 1.00 0.00 C ATOM 67 O PRO A 5 -0.093 7.955 -10.597 1.00 0.00 O ATOM 68 CB PRO A 5 -0.897 4.696 -9.765 1.00 0.00 C ATOM 69 CG PRO A 5 0.256 3.753 -9.700 1.00 0.00 C ATOM 70 CD PRO A 5 1.445 4.521 -10.199 1.00 0.00 C ATOM 0 HA PRO A 5 -1.166 5.403 -11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.001 5.255 -8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.834 4.161 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.417 3.403 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.075 2.871 -10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.957 5.043 -9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.178 3.868 -10.672 1.00 0.00 H new ATOM 78 N ALA A 6 -2.216 7.296 -10.254 1.00 0.00 N ATOM 79 CA ALA A 6 -2.677 8.630 -9.887 1.00 0.00 C ATOM 80 C ALA A 6 -2.063 9.081 -8.564 1.00 0.00 C ATOM 81 O ALA A 6 -0.972 8.647 -8.196 1.00 0.00 O ATOM 82 CB ALA A 6 -4.196 8.653 -9.808 1.00 0.00 C ATOM 0 H ALA A 6 -2.939 6.577 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.353 9.329 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.531 9.653 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.615 8.384 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.532 7.939 -9.056 1.00 0.00 H new ATOM 88 N ARG A 7 -2.765 9.962 -7.855 1.00 0.00 N ATOM 89 CA ARG A 7 -2.278 10.466 -6.575 1.00 0.00 C ATOM 90 C ARG A 7 -2.860 9.670 -5.410 1.00 0.00 C ATOM 91 O ARG A 7 -2.215 9.508 -4.375 1.00 0.00 O ATOM 92 CB ARG A 7 -2.634 11.945 -6.419 1.00 0.00 C ATOM 93 CG ARG A 7 -2.086 12.825 -7.531 1.00 0.00 C ATOM 94 CD ARG A 7 -2.496 14.276 -7.346 1.00 0.00 C ATOM 95 NE ARG A 7 -3.948 14.439 -7.358 1.00 0.00 N ATOM 96 CZ ARG A 7 -4.560 15.611 -7.211 1.00 0.00 C ATOM 97 NH1 ARG A 7 -3.849 16.717 -7.041 1.00 0.00 N ATOM 98 NH2 ARG A 7 -5.883 15.676 -7.234 1.00 0.00 N ATOM 0 H ARG A 7 -3.668 10.339 -8.144 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.194 10.351 -6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.719 12.047 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.252 12.303 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.999 12.753 -7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.447 12.464 -8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.097 14.648 -6.402 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.056 14.881 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.525 13.608 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.830 16.671 -7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.321 17.614 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.433 14.827 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.351 16.575 -7.121 1.00 0.00 H new ATOM 112 N HIS A 8 -4.082 9.178 -5.587 1.00 0.00 N ATOM 113 CA HIS A 8 -4.754 8.405 -4.546 1.00 0.00 C ATOM 114 C HIS A 8 -5.478 7.200 -5.144 1.00 0.00 C ATOM 115 O HIS A 8 -6.358 6.619 -4.508 1.00 0.00 O ATOM 116 CB HIS A 8 -5.756 9.288 -3.798 1.00 0.00 C ATOM 117 CG HIS A 8 -5.167 10.564 -3.283 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.559 11.809 -3.731 1.00 0.00 N ATOM 119 CD2 HIS A 8 -4.210 10.788 -2.349 1.00 0.00 C ATOM 120 CE1 HIS A 8 -4.871 12.740 -3.096 1.00 0.00 C ATOM 121 NE2 HIS A 8 -4.046 12.147 -2.253 1.00 0.00 N ATOM 0 H HIS A 8 -4.627 9.300 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.997 8.046 -3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.586 9.524 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.169 8.725 -2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.676 10.037 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.967 13.806 -3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.392 12.622 -1.631 1.00 0.00 H new ATOM 130 N SER A 9 -5.104 6.828 -6.367 1.00 0.00 N ATOM 131 CA SER A 9 -5.726 5.690 -7.042 1.00 0.00 C ATOM 132 C SER A 9 -5.588 4.421 -6.208 1.00 0.00 C ATOM 133 O SER A 9 -4.828 4.383 -5.243 1.00 0.00 O ATOM 134 CB SER A 9 -5.105 5.479 -8.425 1.00 0.00 C ATOM 135 OG SER A 9 -3.702 5.298 -8.337 1.00 0.00 O ATOM 0 H SER A 9 -4.377 7.295 -6.909 1.00 0.00 H new ATOM 0 HA SER A 9 -6.787 5.911 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.557 4.608 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.324 6.338 -9.059 1.00 0.00 H new ATOM 0 HG SER A 9 -3.478 4.368 -8.550 1.00 0.00 H new ATOM 141 N GLY A 10 -6.326 3.382 -6.589 1.00 0.00 N ATOM 142 CA GLY A 10 -6.279 2.126 -5.859 1.00 0.00 C ATOM 143 C GLY A 10 -4.871 1.583 -5.702 1.00 0.00 C ATOM 144 O GLY A 10 -4.387 1.413 -4.584 1.00 0.00 O ATOM 0 H GLY A 10 -6.956 3.387 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.719 2.269 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.891 1.388 -6.377 1.00 0.00 H new ATOM 148 N ALA A 11 -4.214 1.309 -6.825 1.00 0.00 N ATOM 149 CA ALA A 11 -2.855 0.777 -6.799 1.00 0.00 C ATOM 150 C ALA A 11 -1.908 1.707 -6.042 1.00 0.00 C ATOM 151 O ALA A 11 -0.928 1.261 -5.442 1.00 0.00 O ATOM 152 CB ALA A 11 -2.358 0.542 -8.217 1.00 0.00 C ATOM 0 H ALA A 11 -4.598 1.446 -7.760 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.873 -0.176 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.343 0.145 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.012 -0.172 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.362 1.484 -8.765 1.00 0.00 H new ATOM 158 N ARG A 12 -2.211 3.000 -6.074 1.00 0.00 N ATOM 159 CA ARG A 12 -1.392 3.995 -5.393 1.00 0.00 C ATOM 160 C ARG A 12 -1.528 3.853 -3.886 1.00 0.00 C ATOM 161 O ARG A 12 -0.538 3.814 -3.152 1.00 0.00 O ATOM 162 CB ARG A 12 -1.849 5.392 -5.807 1.00 0.00 C ATOM 163 CG ARG A 12 -0.716 6.377 -6.030 1.00 0.00 C ATOM 164 CD ARG A 12 -0.295 7.056 -4.738 1.00 0.00 C ATOM 165 NE ARG A 12 0.650 8.142 -4.983 1.00 0.00 N ATOM 166 CZ ARG A 12 1.159 8.912 -4.027 1.00 0.00 C ATOM 167 NH1 ARG A 12 0.836 8.701 -2.759 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.999 9.889 -4.338 1.00 0.00 N ATOM 0 H ARG A 12 -3.019 3.384 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.349 3.843 -5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.433 5.314 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.513 5.787 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.139 5.856 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.028 7.132 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.176 7.448 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.158 6.322 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 12 0.937 8.320 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.195 7.946 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.228 9.294 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.255 10.050 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.389 10.479 -3.603 1.00 0.00 H new ATOM 182 N VAL A 13 -2.772 3.771 -3.442 1.00 0.00 N ATOM 183 CA VAL A 13 -3.085 3.653 -2.031 1.00 0.00 C ATOM 184 C VAL A 13 -2.516 2.378 -1.419 1.00 0.00 C ATOM 185 O VAL A 13 -2.021 2.391 -0.294 1.00 0.00 O ATOM 186 CB VAL A 13 -4.608 3.667 -1.804 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.938 3.424 -0.340 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.208 4.980 -2.276 1.00 0.00 C ATOM 0 H VAL A 13 -3.591 3.785 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.625 4.512 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.046 2.859 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.019 3.438 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.547 2.454 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.485 4.206 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.285 4.970 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.761 5.805 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.009 5.109 -3.340 1.00 0.00 H new ATOM 198 N ILE A 14 -2.582 1.281 -2.165 1.00 0.00 N ATOM 199 CA ILE A 14 -2.106 0.005 -1.658 1.00 0.00 C ATOM 200 C ILE A 14 -0.581 -0.044 -1.496 1.00 0.00 C ATOM 201 O ILE A 14 -0.085 -0.375 -0.424 1.00 0.00 O ATOM 202 CB ILE A 14 -2.587 -1.166 -2.544 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.941 -1.123 -3.930 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.102 -1.142 -2.672 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.361 -2.263 -4.835 1.00 0.00 C ATOM 0 H ILE A 14 -2.957 1.251 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.538 -0.103 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.283 -2.095 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.195 -0.178 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.857 -1.142 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.427 -1.972 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.552 -1.235 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.414 -0.201 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.862 -2.165 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.082 -3.212 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.441 -2.233 -4.980 1.00 0.00 H new ATOM 217 N LEU A 15 0.164 0.277 -2.548 1.00 0.00 N ATOM 218 CA LEU A 15 1.621 0.221 -2.427 1.00 0.00 C ATOM 219 C LEU A 15 2.144 1.200 -1.375 1.00 0.00 C ATOM 220 O LEU A 15 3.073 0.883 -0.631 1.00 0.00 O ATOM 221 CB LEU A 15 2.284 0.498 -3.778 1.00 0.00 C ATOM 222 CG LEU A 15 1.787 -0.376 -4.929 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.038 0.307 -6.261 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.467 -1.736 -4.894 1.00 0.00 C ATOM 0 H LEU A 15 -0.194 0.567 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 15 1.880 -0.787 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.121 1.544 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.360 0.359 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 15 0.713 -0.522 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.678 -0.329 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.510 1.260 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.107 0.481 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.102 -2.347 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.545 -1.606 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.242 -2.231 -3.950 1.00 0.00 H new ATOM 236 N LEU A 16 1.533 2.375 -1.295 1.00 0.00 N ATOM 237 CA LEU A 16 1.976 3.371 -0.342 1.00 0.00 C ATOM 238 C LEU A 16 1.692 2.915 1.085 1.00 0.00 C ATOM 239 O LEU A 16 2.543 2.997 1.982 1.00 0.00 O ATOM 240 CB LEU A 16 1.243 4.673 -0.627 1.00 0.00 C ATOM 241 CG LEU A 16 1.572 5.806 0.324 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.028 6.217 0.178 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.646 6.979 0.071 1.00 0.00 C ATOM 0 H LEU A 16 0.740 2.655 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 16 3.052 3.516 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.476 4.990 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.170 4.486 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 16 1.423 5.465 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.247 7.032 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.671 5.366 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.212 6.548 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.889 7.789 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.769 7.325 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.387 6.668 0.228 1.00 0.00 H new ATOM 255 N VAL A 17 0.480 2.432 1.283 1.00 0.00 N ATOM 256 CA VAL A 17 0.052 1.961 2.582 1.00 0.00 C ATOM 257 C VAL A 17 0.894 0.768 3.037 1.00 0.00 C ATOM 258 O VAL A 17 1.235 0.660 4.215 1.00 0.00 O ATOM 259 CB VAL A 17 -1.445 1.611 2.556 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.705 0.287 1.875 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.033 1.621 3.951 1.00 0.00 C ATOM 0 H VAL A 17 -0.229 2.356 0.553 1.00 0.00 H new ATOM 0 HA VAL A 17 0.201 2.761 3.307 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.942 2.383 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.775 0.080 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.348 0.331 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.180 -0.506 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.093 1.370 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.515 0.888 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.915 2.612 4.388 1.00 0.00 H new ATOM 271 N LEU A 18 1.226 -0.129 2.105 1.00 0.00 N ATOM 272 CA LEU A 18 2.067 -1.269 2.459 1.00 0.00 C ATOM 273 C LEU A 18 3.450 -0.766 2.835 1.00 0.00 C ATOM 274 O LEU A 18 4.158 -1.389 3.624 1.00 0.00 O ATOM 275 CB LEU A 18 2.205 -2.276 1.301 1.00 0.00 C ATOM 276 CG LEU A 18 0.916 -2.938 0.811 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.234 -4.225 0.065 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.036 -3.213 1.964 1.00 0.00 C ATOM 0 H LEU A 18 0.935 -0.090 1.128 1.00 0.00 H new ATOM 0 HA LEU A 18 1.592 -1.782 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.667 -1.763 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.894 -3.061 1.613 1.00 0.00 H new ATOM 0 HG LEU A 18 0.422 -2.248 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.307 -4.685 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.867 -4.001 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.756 -4.912 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.942 -3.684 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.444 -3.878 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.293 -2.275 2.455 1.00 0.00 H new ATOM 290 N TYR A 19 3.822 0.376 2.258 1.00 0.00 N ATOM 291 CA TYR A 19 5.135 0.958 2.515 1.00 0.00 C ATOM 292 C TYR A 19 5.400 1.112 4.002 1.00 0.00 C ATOM 293 O TYR A 19 6.338 0.523 4.528 1.00 0.00 O ATOM 294 CB TYR A 19 5.270 2.312 1.820 1.00 0.00 C ATOM 295 CG TYR A 19 6.633 2.947 1.975 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.719 2.499 1.233 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.834 3.998 2.862 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.965 3.079 1.369 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.077 4.584 3.003 1.00 0.00 C ATOM 300 CZ TYR A 19 9.138 4.121 2.256 1.00 0.00 C ATOM 301 OH TYR A 19 10.378 4.703 2.394 1.00 0.00 O ATOM 0 H TYR A 19 3.238 0.911 1.616 1.00 0.00 H new ATOM 0 HA TYR A 19 5.878 0.272 2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.057 2.187 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.516 2.991 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.586 1.683 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.005 4.362 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.799 2.719 0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.216 5.401 3.695 1.00 0.00 H new ATOM 0 HH TYR A 19 10.330 5.423 3.058 1.00 0.00 H new ATOM 311 N ARG A 20 4.564 1.877 4.690 1.00 0.00 N ATOM 312 CA ARG A 20 4.765 2.086 6.123 1.00 0.00 C ATOM 313 C ARG A 20 4.772 0.768 6.899 1.00 0.00 C ATOM 314 O ARG A 20 5.732 0.464 7.607 1.00 0.00 O ATOM 315 CB ARG A 20 3.673 3.018 6.663 1.00 0.00 C ATOM 316 CG ARG A 20 3.827 3.386 8.132 1.00 0.00 C ATOM 317 CD ARG A 20 3.239 2.325 9.050 1.00 0.00 C ATOM 318 NE ARG A 20 3.323 2.710 10.456 1.00 0.00 N ATOM 319 CZ ARG A 20 2.882 1.953 11.456 1.00 0.00 C ATOM 320 NH1 ARG A 20 2.331 0.772 11.207 1.00 0.00 N ATOM 321 NH2 ARG A 20 2.995 2.376 12.707 1.00 0.00 N ATOM 0 H ARG A 20 3.756 2.356 4.293 1.00 0.00 H new ATOM 0 HA ARG A 20 5.743 2.546 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.669 3.933 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.703 2.541 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.884 3.520 8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.336 4.341 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.196 2.152 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.767 1.383 8.900 1.00 0.00 H new ATOM 0 HE ARG A 20 3.744 3.611 10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.245 0.442 10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.994 0.194 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.420 3.282 12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.657 1.795 13.474 1.00 0.00 H new ATOM 335 N GLU A 21 3.703 -0.007 6.756 1.00 0.00 N ATOM 336 CA GLU A 21 3.629 -1.273 7.481 1.00 0.00 C ATOM 337 C GLU A 21 4.812 -2.179 7.147 1.00 0.00 C ATOM 338 O GLU A 21 5.227 -2.995 7.969 1.00 0.00 O ATOM 339 CB GLU A 21 2.317 -1.994 7.175 1.00 0.00 C ATOM 340 CG GLU A 21 2.112 -3.238 8.020 1.00 0.00 C ATOM 341 CD GLU A 21 2.130 -2.945 9.508 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.056 -2.638 10.066 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.220 -3.021 10.113 1.00 0.00 O ATOM 0 H GLU A 21 2.899 0.207 6.166 1.00 0.00 H new ATOM 0 HA GLU A 21 3.668 -1.042 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.485 -1.309 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.298 -2.271 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.160 -3.698 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.892 -3.963 7.787 1.00 0.00 H new ATOM 350 N HIS A 22 5.348 -2.039 5.944 1.00 0.00 N ATOM 351 CA HIS A 22 6.494 -2.853 5.555 1.00 0.00 C ATOM 352 C HIS A 22 7.758 -2.323 6.219 1.00 0.00 C ATOM 353 O HIS A 22 8.647 -3.087 6.597 1.00 0.00 O ATOM 354 CB HIS A 22 6.652 -2.857 4.036 1.00 0.00 C ATOM 355 CG HIS A 22 7.904 -3.523 3.548 1.00 0.00 C ATOM 356 ND1 HIS A 22 7.918 -4.784 2.987 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.188 -3.089 3.525 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.154 -5.095 2.640 1.00 0.00 C ATOM 359 NE2 HIS A 22 9.943 -4.084 2.954 1.00 0.00 N ATOM 0 H HIS A 22 5.019 -1.386 5.233 1.00 0.00 H new ATOM 0 HA HIS A 22 6.326 -3.878 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.791 -3.359 3.594 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.639 -1.827 3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 22 7.102 -5.382 2.860 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.550 -2.138 3.888 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.466 -6.020 2.178 1.00 0.00 H new ATOM 368 N LEU A 23 7.822 -1.005 6.359 1.00 0.00 N ATOM 369 CA LEU A 23 8.965 -0.361 6.987 1.00 0.00 C ATOM 370 C LEU A 23 8.923 -0.532 8.499 1.00 0.00 C ATOM 371 O LEU A 23 9.701 0.087 9.222 1.00 0.00 O ATOM 372 CB LEU A 23 8.997 1.125 6.632 1.00 0.00 C ATOM 373 CG LEU A 23 9.779 1.461 5.367 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.039 0.993 4.123 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.064 2.953 5.295 1.00 0.00 C ATOM 0 H LEU A 23 7.095 -0.362 6.045 1.00 0.00 H new ATOM 0 HA LEU A 23 9.870 -0.838 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.973 1.479 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.430 1.675 7.467 1.00 0.00 H new ATOM 0 HG LEU A 23 10.730 0.930 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.621 1.246 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.898 -0.087 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.067 1.484 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.623 3.173 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.123 3.503 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.651 3.254 6.163 1.00 0.00 H new ATOM 387 N ASN A 24 8.006 -1.372 8.963 1.00 0.00 N ATOM 388 CA ASN A 24 7.851 -1.627 10.392 1.00 0.00 C ATOM 389 C ASN A 24 8.806 -2.716 10.885 1.00 0.00 C ATOM 390 O ASN A 24 8.614 -3.896 10.594 1.00 0.00 O ATOM 391 CB ASN A 24 6.410 -2.029 10.709 1.00 0.00 C ATOM 392 CG ASN A 24 5.511 -0.823 10.880 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.936 -0.317 9.920 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.388 -0.351 12.112 1.00 0.00 N ATOM 0 H ASN A 24 7.357 -1.890 8.370 1.00 0.00 H new ATOM 0 HA ASN A 24 8.096 -0.701 10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.024 -2.658 9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.392 -2.627 11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.798 0.462 12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.883 -0.801 12.882 1.00 0.00 H new ATOM 401 N PRO A 25 9.853 -2.328 11.639 1.00 0.00 N ATOM 402 CA PRO A 25 10.823 -3.277 12.195 1.00 0.00 C ATOM 403 C PRO A 25 10.194 -4.148 13.268 1.00 0.00 C ATOM 404 O PRO A 25 10.441 -5.353 13.339 1.00 0.00 O ATOM 405 CB PRO A 25 11.903 -2.387 12.825 1.00 0.00 C ATOM 406 CG PRO A 25 11.648 -1.012 12.305 1.00 0.00 C ATOM 407 CD PRO A 25 10.178 -0.944 12.003 1.00 0.00 C ATOM 0 HA PRO A 25 11.208 -3.953 11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.844 -2.411 13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.901 -2.730 12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.929 -0.259 13.041 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.239 -0.819 11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.604 -0.608 12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.965 -0.251 11.189 1.00 0.00 H new ATOM 415 N ASN A 26 9.375 -3.520 14.104 1.00 0.00 N ATOM 416 CA ASN A 26 8.704 -4.237 15.176 1.00 0.00 C ATOM 417 C ASN A 26 7.262 -4.533 14.776 1.00 0.00 C ATOM 418 O ASN A 26 6.391 -4.728 15.624 1.00 0.00 O ATOM 419 CB ASN A 26 8.742 -3.416 16.469 1.00 0.00 C ATOM 420 CG ASN A 26 8.262 -4.201 17.675 1.00 0.00 C ATOM 421 OD1 ASN A 26 7.083 -4.165 18.026 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.177 -4.918 18.318 1.00 0.00 N ATOM 0 H ASN A 26 9.162 -2.523 14.059 1.00 0.00 H new ATOM 0 HA ASN A 26 9.222 -5.180 15.352 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.761 -3.072 16.646 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.122 -2.527 16.349 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.913 -5.467 19.136 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.144 -4.920 17.993 1.00 0.00 H new ATOM 429 N GLY A 27 7.028 -4.579 13.469 1.00 0.00 N ATOM 430 CA GLY A 27 5.689 -4.847 12.981 1.00 0.00 C ATOM 431 C GLY A 27 5.693 -5.806 11.809 1.00 0.00 C ATOM 432 O GLY A 27 6.752 -6.147 11.283 1.00 0.00 O ATOM 0 H GLY A 27 7.733 -4.437 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.086 -5.263 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.218 -3.911 12.682 1.00 0.00 H new ATOM 436 N HIS A 28 4.509 -6.245 11.400 1.00 0.00 N ATOM 437 CA HIS A 28 4.399 -7.168 10.278 1.00 0.00 C ATOM 438 C HIS A 28 4.740 -6.464 8.970 1.00 0.00 C ATOM 439 O HIS A 28 4.244 -5.371 8.696 1.00 0.00 O ATOM 440 CB HIS A 28 2.988 -7.753 10.205 1.00 0.00 C ATOM 441 CG HIS A 28 2.589 -8.515 11.430 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.673 -9.889 11.522 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.099 -8.090 12.620 1.00 0.00 C ATOM 444 CE1 HIS A 28 2.250 -10.275 12.713 1.00 0.00 C ATOM 445 NE2 HIS A 28 1.897 -9.203 13.397 1.00 0.00 N ATOM 0 H HIS A 28 3.620 -5.980 11.824 1.00 0.00 H new ATOM 0 HA HIS A 28 5.109 -7.980 10.433 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.276 -6.943 10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.922 -8.413 9.340 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.009 -10.510 10.786 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.904 -7.066 12.904 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.201 -11.294 13.066 1.00 0.00 H new ATOM 454 N HIS A 29 5.594 -7.091 8.168 1.00 0.00 N ATOM 455 CA HIS A 29 5.998 -6.526 6.884 1.00 0.00 C ATOM 456 C HIS A 29 4.919 -6.766 5.833 1.00 0.00 C ATOM 457 O HIS A 29 5.218 -6.974 4.657 1.00 0.00 O ATOM 458 CB HIS A 29 7.318 -7.150 6.427 1.00 0.00 C ATOM 459 CG HIS A 29 8.438 -6.971 7.403 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.691 -7.858 8.429 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.380 -6.004 7.505 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.738 -7.443 9.120 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.174 -6.320 8.580 1.00 0.00 N ATOM 0 H HIS A 29 6.021 -7.992 8.384 1.00 0.00 H new ATOM 0 HA HIS A 29 6.135 -5.452 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.165 -8.215 6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.606 -6.710 5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.487 -5.144 6.861 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.164 -7.938 9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.971 -5.775 8.908 1.00 0.00 H new ATOM 472 N PHE A 30 3.663 -6.718 6.265 1.00 0.00 N ATOM 473 CA PHE A 30 2.531 -6.948 5.368 1.00 0.00 C ATOM 474 C PHE A 30 1.216 -6.516 6.009 1.00 0.00 C ATOM 475 O PHE A 30 1.195 -5.993 7.123 1.00 0.00 O ATOM 476 CB PHE A 30 2.440 -8.430 4.991 1.00 0.00 C ATOM 477 CG PHE A 30 2.459 -9.353 6.178 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.297 -9.619 6.885 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.639 -9.954 6.586 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.311 -10.466 7.976 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.660 -10.802 7.677 1.00 0.00 C ATOM 482 CZ PHE A 30 2.494 -11.059 8.373 1.00 0.00 C ATOM 0 H PHE A 30 3.401 -6.522 7.231 1.00 0.00 H new ATOM 0 HA PHE A 30 2.699 -6.349 4.473 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.523 -8.597 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.271 -8.681 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.369 -9.158 6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.553 -9.757 6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.398 -10.664 8.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.587 -11.263 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.508 -11.722 9.225 1.00 0.00 H new ATOM 492 N LEU A 31 0.121 -6.754 5.292 1.00 0.00 N ATOM 493 CA LEU A 31 -1.203 -6.404 5.781 1.00 0.00 C ATOM 494 C LEU A 31 -2.267 -7.307 5.166 1.00 0.00 C ATOM 495 O LEU A 31 -2.172 -7.685 3.998 1.00 0.00 O ATOM 496 CB LEU A 31 -1.524 -4.950 5.443 1.00 0.00 C ATOM 497 CG LEU A 31 -0.864 -3.905 6.340 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.133 -2.506 5.809 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.363 -4.039 7.772 1.00 0.00 C ATOM 0 H LEU A 31 0.128 -7.189 4.369 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.206 -6.538 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.224 -4.760 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.604 -4.814 5.491 1.00 0.00 H new ATOM 0 HG LEU A 31 0.213 -4.075 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.656 -1.772 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.728 -2.415 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.208 -2.326 5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.882 -3.286 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.443 -3.894 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.122 -5.032 8.150 1.00 0.00 H new ATOM 511 N THR A 32 -3.276 -7.649 5.958 1.00 0.00 N ATOM 512 CA THR A 32 -4.365 -8.487 5.474 1.00 0.00 C ATOM 513 C THR A 32 -5.424 -7.622 4.803 1.00 0.00 C ATOM 514 O THR A 32 -5.485 -6.418 5.044 1.00 0.00 O ATOM 515 CB THR A 32 -5.010 -9.297 6.615 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.516 -8.412 7.618 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.000 -10.252 7.237 1.00 0.00 C ATOM 0 H THR A 32 -3.363 -7.361 6.933 1.00 0.00 H new ATOM 0 HA THR A 32 -3.948 -9.190 4.754 1.00 0.00 H new ATOM 0 HB THR A 32 -5.831 -9.881 6.199 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.480 -8.854 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.477 -10.814 8.040 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.637 -10.944 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.162 -9.683 7.640 1.00 0.00 H new ATOM 525 N LYS A 33 -6.264 -8.233 3.975 1.00 0.00 N ATOM 526 CA LYS A 33 -7.297 -7.481 3.269 1.00 0.00 C ATOM 527 C LYS A 33 -8.141 -6.655 4.238 1.00 0.00 C ATOM 528 O LYS A 33 -8.628 -5.580 3.891 1.00 0.00 O ATOM 529 CB LYS A 33 -8.193 -8.425 2.462 1.00 0.00 C ATOM 530 CG LYS A 33 -8.552 -7.898 1.078 1.00 0.00 C ATOM 531 CD LYS A 33 -9.290 -6.567 1.148 1.00 0.00 C ATOM 532 CE LYS A 33 -9.579 -6.015 -0.240 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.447 -6.929 -1.032 1.00 0.00 N ATOM 0 H LYS A 33 -6.252 -9.234 3.777 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.798 -6.796 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.690 -9.386 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.111 -8.606 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.643 -7.778 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.173 -8.630 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.226 -6.697 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.693 -5.848 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.063 -5.042 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.640 -5.856 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.759 -6.447 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.912 -7.784 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.278 -7.195 -0.466 1.00 0.00 H new ATOM 547 N GLU A 34 -8.305 -7.159 5.457 1.00 0.00 N ATOM 548 CA GLU A 34 -9.091 -6.457 6.465 1.00 0.00 C ATOM 549 C GLU A 34 -8.288 -5.332 7.117 1.00 0.00 C ATOM 550 O GLU A 34 -8.830 -4.267 7.416 1.00 0.00 O ATOM 551 CB GLU A 34 -9.579 -7.439 7.532 1.00 0.00 C ATOM 552 CG GLU A 34 -8.457 -8.169 8.250 1.00 0.00 C ATOM 553 CD GLU A 34 -8.968 -9.136 9.301 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.209 -10.312 8.958 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.128 -8.715 10.466 1.00 0.00 O ATOM 0 H GLU A 34 -7.907 -8.045 5.769 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.951 -6.011 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.176 -6.897 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.237 -8.172 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.858 -8.714 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.798 -7.440 8.722 1.00 0.00 H new ATOM 562 N GLU A 35 -6.995 -5.569 7.335 1.00 0.00 N ATOM 563 CA GLU A 35 -6.151 -4.553 7.959 1.00 0.00 C ATOM 564 C GLU A 35 -5.875 -3.420 6.983 1.00 0.00 C ATOM 565 O GLU A 35 -5.639 -2.279 7.381 1.00 0.00 O ATOM 566 CB GLU A 35 -4.834 -5.168 8.437 1.00 0.00 C ATOM 567 CG GLU A 35 -5.004 -6.160 9.576 1.00 0.00 C ATOM 568 CD GLU A 35 -3.691 -6.786 10.002 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.325 -7.840 9.442 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.028 -6.222 10.899 1.00 0.00 O ATOM 0 H GLU A 35 -6.517 -6.437 7.094 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.681 -4.151 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.351 -5.670 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.165 -4.370 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.455 -5.654 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.695 -6.946 9.269 1.00 0.00 H new ATOM 577 N LEU A 36 -5.906 -3.754 5.702 1.00 0.00 N ATOM 578 CA LEU A 36 -5.657 -2.787 4.646 1.00 0.00 C ATOM 579 C LEU A 36 -6.712 -1.690 4.634 1.00 0.00 C ATOM 580 O LEU A 36 -6.393 -0.504 4.629 1.00 0.00 O ATOM 581 CB LEU A 36 -5.655 -3.498 3.300 1.00 0.00 C ATOM 582 CG LEU A 36 -4.485 -4.451 3.078 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.744 -5.365 1.889 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.198 -3.670 2.879 1.00 0.00 C ATOM 0 H LEU A 36 -6.103 -4.697 5.367 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.688 -2.325 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.585 -4.058 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.648 -2.748 2.509 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.381 -5.075 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.895 -6.034 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.644 -5.953 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.880 -4.763 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.372 -4.364 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.297 -3.021 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.000 -3.064 3.763 1.00 0.00 H new ATOM 596 N LEU A 37 -7.968 -2.106 4.621 1.00 0.00 N ATOM 597 CA LEU A 37 -9.097 -1.179 4.603 1.00 0.00 C ATOM 598 C LEU A 37 -8.948 -0.087 5.662 1.00 0.00 C ATOM 599 O LEU A 37 -9.192 1.087 5.389 1.00 0.00 O ATOM 600 CB LEU A 37 -10.403 -1.944 4.825 1.00 0.00 C ATOM 601 CG LEU A 37 -10.734 -2.992 3.758 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.998 -3.749 4.130 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.888 -2.334 2.394 1.00 0.00 C ATOM 0 H LEU A 37 -8.237 -3.090 4.623 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.116 -0.696 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.355 -2.439 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.222 -1.226 4.873 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.910 -3.703 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.218 -4.489 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.853 -4.251 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.831 -3.050 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.123 -3.093 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.694 -1.601 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.957 -1.835 2.123 1.00 0.00 H new ATOM 615 N GLN A 38 -8.563 -0.474 6.872 1.00 0.00 N ATOM 616 CA GLN A 38 -8.385 0.490 7.953 1.00 0.00 C ATOM 617 C GLN A 38 -7.115 1.309 7.740 1.00 0.00 C ATOM 618 O GLN A 38 -7.081 2.511 8.004 1.00 0.00 O ATOM 619 CB GLN A 38 -8.324 -0.230 9.301 1.00 0.00 C ATOM 620 CG GLN A 38 -8.149 0.706 10.486 1.00 0.00 C ATOM 621 CD GLN A 38 -8.098 -0.033 11.810 1.00 0.00 C ATOM 622 OE1 GLN A 38 -7.028 -0.427 12.273 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.259 -0.223 12.426 1.00 0.00 N ATOM 0 H GLN A 38 -8.369 -1.442 7.129 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.239 1.167 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.239 -0.807 9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.498 -0.941 9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.231 1.280 10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.972 1.421 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.122 0.121 12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.288 -0.713 13.320 1.00 0.00 H new ATOM 632 N ARG A 39 -6.074 0.640 7.259 1.00 0.00 N ATOM 633 CA ARG A 39 -4.792 1.281 7.006 1.00 0.00 C ATOM 634 C ARG A 39 -4.914 2.416 5.990 1.00 0.00 C ATOM 635 O ARG A 39 -4.470 3.538 6.235 1.00 0.00 O ATOM 636 CB ARG A 39 -3.812 0.235 6.494 1.00 0.00 C ATOM 637 CG ARG A 39 -2.380 0.519 6.878 1.00 0.00 C ATOM 638 CD ARG A 39 -2.095 0.100 8.309 1.00 0.00 C ATOM 639 NE ARG A 39 -2.817 0.916 9.281 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.937 0.599 10.567 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.387 -0.514 11.033 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.608 1.395 11.387 1.00 0.00 N ATOM 0 H ARG A 39 -6.095 -0.355 7.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.435 1.715 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.098 -0.742 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.885 0.179 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.709 -0.011 6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.175 1.583 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.371 -0.946 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.024 0.174 8.500 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.254 1.778 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.870 -1.129 10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.481 -0.755 12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.033 2.252 11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.700 1.151 12.373 1.00 0.00 H new ATOM 656 N CYS A 40 -5.514 2.102 4.851 1.00 0.00 N ATOM 657 CA CYS A 40 -5.704 3.071 3.773 1.00 0.00 C ATOM 658 C CYS A 40 -6.416 4.329 4.270 1.00 0.00 C ATOM 659 O CYS A 40 -6.240 5.408 3.717 1.00 0.00 O ATOM 660 CB CYS A 40 -6.492 2.446 2.618 1.00 0.00 C ATOM 661 SG CYS A 40 -8.235 2.139 2.985 1.00 0.00 S ATOM 0 H CYS A 40 -5.883 1.173 4.645 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.716 3.359 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.426 3.103 1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.020 1.504 2.340 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.352 1.707 4.205 1.00 0.00 H new ATOM 667 N ALA A 41 -7.256 4.176 5.281 1.00 0.00 N ATOM 668 CA ALA A 41 -7.977 5.322 5.828 1.00 0.00 C ATOM 669 C ALA A 41 -7.035 6.487 6.156 1.00 0.00 C ATOM 670 O ALA A 41 -7.444 7.648 6.129 1.00 0.00 O ATOM 671 CB ALA A 41 -8.754 4.911 7.069 1.00 0.00 C ATOM 0 H ALA A 41 -7.456 3.285 5.736 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.673 5.667 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.287 5.774 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.470 4.131 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.063 4.532 7.822 1.00 0.00 H new ATOM 677 N GLN A 42 -5.776 6.174 6.465 1.00 0.00 N ATOM 678 CA GLN A 42 -4.811 7.223 6.809 1.00 0.00 C ATOM 679 C GLN A 42 -4.024 7.685 5.587 1.00 0.00 C ATOM 680 O GLN A 42 -3.208 8.604 5.670 1.00 0.00 O ATOM 681 CB GLN A 42 -3.853 6.722 7.892 1.00 0.00 C ATOM 682 CG GLN A 42 -4.550 6.339 9.188 1.00 0.00 C ATOM 683 CD GLN A 42 -3.584 5.842 10.247 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.063 6.623 11.043 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.344 4.536 10.264 1.00 0.00 N ATOM 0 H GLN A 42 -5.404 5.224 6.485 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.370 8.078 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.308 5.858 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.116 7.497 8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.092 7.203 9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.289 5.564 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.798 3.925 9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.706 4.144 10.956 1.00 0.00 H new ATOM 694 N LYS A 43 -4.274 7.037 4.460 1.00 0.00 N ATOM 695 CA LYS A 43 -3.607 7.368 3.208 1.00 0.00 C ATOM 696 C LYS A 43 -4.032 8.751 2.715 1.00 0.00 C ATOM 697 O LYS A 43 -3.309 9.402 1.960 1.00 0.00 O ATOM 698 CB LYS A 43 -3.926 6.277 2.178 1.00 0.00 C ATOM 699 CG LYS A 43 -4.108 6.766 0.748 1.00 0.00 C ATOM 700 CD LYS A 43 -2.777 7.101 0.099 1.00 0.00 C ATOM 701 CE LYS A 43 -2.915 7.257 -1.403 1.00 0.00 C ATOM 702 NZ LYS A 43 -1.710 7.883 -2.008 1.00 0.00 N ATOM 0 H LYS A 43 -4.942 6.270 4.386 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.529 7.406 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.123 5.540 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.836 5.763 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.616 6.000 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.748 7.648 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.384 8.023 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.055 6.314 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.082 6.280 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.791 7.866 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.986 8.423 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.267 8.522 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.032 7.142 -2.278 1.00 0.00 H new ATOM 885 N PRO A 56 -9.435 -4.890 -5.821 1.00 0.00 N ATOM 886 CA PRO A 56 -9.176 -6.144 -6.538 1.00 0.00 C ATOM 887 C PRO A 56 -7.968 -6.030 -7.463 1.00 0.00 C ATOM 888 O PRO A 56 -7.430 -7.035 -7.930 1.00 0.00 O ATOM 889 CB PRO A 56 -10.453 -6.365 -7.348 1.00 0.00 C ATOM 890 CG PRO A 56 -11.514 -5.676 -6.567 1.00 0.00 C ATOM 891 CD PRO A 56 -10.852 -4.484 -5.932 1.00 0.00 C ATOM 0 HA PRO A 56 -8.945 -6.966 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.364 -5.947 -8.351 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.671 -7.427 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.336 -5.368 -7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.934 -6.338 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.966 -3.589 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.282 -4.259 -4.956 1.00 0.00 H new ATOM 899 N ALA A 57 -7.548 -4.793 -7.723 1.00 0.00 N ATOM 900 CA ALA A 57 -6.396 -4.532 -8.579 1.00 0.00 C ATOM 901 C ALA A 57 -5.132 -5.145 -7.993 1.00 0.00 C ATOM 902 O ALA A 57 -4.111 -5.255 -8.670 1.00 0.00 O ATOM 903 CB ALA A 57 -6.216 -3.034 -8.775 1.00 0.00 C ATOM 0 H ALA A 57 -7.992 -3.954 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.579 -4.995 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.353 -2.852 -9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.109 -2.618 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.057 -2.557 -7.808 1.00 0.00 H new ATOM 909 N LEU A 58 -5.206 -5.542 -6.725 1.00 0.00 N ATOM 910 CA LEU A 58 -4.065 -6.146 -6.048 1.00 0.00 C ATOM 911 C LEU A 58 -3.494 -7.296 -6.861 1.00 0.00 C ATOM 912 O LEU A 58 -2.312 -7.299 -7.193 1.00 0.00 O ATOM 913 CB LEU A 58 -4.468 -6.641 -4.661 1.00 0.00 C ATOM 914 CG LEU A 58 -4.131 -5.692 -3.514 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.664 -6.242 -2.207 1.00 0.00 C ATOM 916 CD2 LEU A 58 -2.627 -5.480 -3.425 1.00 0.00 C ATOM 0 H LEU A 58 -6.043 -5.456 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.295 -5.381 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.542 -6.826 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.979 -7.598 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.604 -4.729 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.417 -5.556 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.746 -6.352 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.212 -7.214 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.403 -4.801 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.134 -6.437 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.264 -5.050 -4.359 1.00 0.00 H new ATOM 928 N ARG A 59 -4.337 -8.274 -7.170 1.00 0.00 N ATOM 929 CA ARG A 59 -3.913 -9.425 -7.956 1.00 0.00 C ATOM 930 C ARG A 59 -3.213 -8.965 -9.231 1.00 0.00 C ATOM 931 O ARG A 59 -2.268 -9.602 -9.697 1.00 0.00 O ATOM 932 CB ARG A 59 -5.117 -10.302 -8.300 1.00 0.00 C ATOM 933 CG ARG A 59 -5.828 -10.858 -7.077 1.00 0.00 C ATOM 934 CD ARG A 59 -7.046 -11.679 -7.465 1.00 0.00 C ATOM 935 NE ARG A 59 -7.726 -12.235 -6.298 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.774 -13.050 -6.374 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.262 -13.402 -7.556 1.00 0.00 N ATOM 938 NH2 ARG A 59 -9.335 -13.515 -5.265 1.00 0.00 N ATOM 0 H ARG A 59 -5.317 -8.293 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.210 -10.012 -7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.825 -9.719 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.787 -11.130 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.138 -11.478 -6.504 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.133 -10.037 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.741 -11.054 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.741 -12.489 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.377 -11.984 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.833 -13.047 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.066 -14.027 -7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.962 -13.247 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.139 -14.140 -5.324 1.00 0.00 H new ATOM 952 N SER A 60 -3.687 -7.854 -9.787 1.00 0.00 N ATOM 953 CA SER A 60 -3.091 -7.308 -10.999 1.00 0.00 C ATOM 954 C SER A 60 -1.678 -6.811 -10.721 1.00 0.00 C ATOM 955 O SER A 60 -0.771 -7.010 -11.530 1.00 0.00 O ATOM 956 CB SER A 60 -3.949 -6.168 -11.554 1.00 0.00 C ATOM 957 OG SER A 60 -3.393 -5.647 -12.749 1.00 0.00 O ATOM 0 H SER A 60 -4.475 -7.319 -9.421 1.00 0.00 H new ATOM 0 HA SER A 60 -3.043 -8.103 -11.743 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.959 -6.529 -11.746 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.030 -5.375 -10.811 1.00 0.00 H new ATOM 0 HG SER A 60 -3.960 -4.921 -13.084 1.00 0.00 H new ATOM 963 N LEU A 61 -1.494 -6.164 -9.572 1.00 0.00 N ATOM 964 CA LEU A 61 -0.180 -5.657 -9.194 1.00 0.00 C ATOM 965 C LEU A 61 0.752 -6.804 -8.831 1.00 0.00 C ATOM 966 O LEU A 61 1.947 -6.756 -9.119 1.00 0.00 O ATOM 967 CB LEU A 61 -0.283 -4.669 -8.032 1.00 0.00 C ATOM 968 CG LEU A 61 -0.622 -3.236 -8.439 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.126 -3.031 -8.493 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.029 -2.251 -7.484 1.00 0.00 C ATOM 0 H LEU A 61 -2.232 -5.980 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 61 0.234 -5.128 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.044 -5.024 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.664 -4.664 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.227 -3.056 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.343 -2.003 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.560 -3.715 -9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.555 -3.227 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.220 -1.233 -7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.336 -2.430 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.111 -2.382 -7.508 1.00 0.00 H new ATOM 982 N LEU A 62 0.203 -7.831 -8.188 1.00 0.00 N ATOM 983 CA LEU A 62 0.982 -8.998 -7.814 1.00 0.00 C ATOM 984 C LEU A 62 1.575 -9.593 -9.075 1.00 0.00 C ATOM 985 O LEU A 62 2.704 -10.087 -9.087 1.00 0.00 O ATOM 986 CB LEU A 62 0.080 -10.020 -7.115 1.00 0.00 C ATOM 987 CG LEU A 62 0.721 -10.843 -5.989 1.00 0.00 C ATOM 988 CD1 LEU A 62 2.166 -11.195 -6.317 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.632 -10.099 -4.662 1.00 0.00 C ATOM 0 H LEU A 62 -0.779 -7.875 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 62 1.780 -8.720 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.780 -9.491 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.301 -10.710 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 62 0.165 -11.776 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.593 -11.778 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.198 -11.780 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.743 -10.279 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.092 -10.699 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.155 -9.146 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.414 -9.919 -4.415 1.00 0.00 H new ATOM 1001 N HIS A 63 0.784 -9.530 -10.138 1.00 0.00 N ATOM 1002 CA HIS A 63 1.208 -10.020 -11.434 1.00 0.00 C ATOM 1003 C HIS A 63 2.362 -9.167 -11.939 1.00 0.00 C ATOM 1004 O HIS A 63 3.226 -9.638 -12.681 1.00 0.00 O ATOM 1005 CB HIS A 63 0.036 -9.967 -12.411 1.00 0.00 C ATOM 1006 CG HIS A 63 0.363 -10.492 -13.776 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.100 -11.789 -14.166 1.00 0.00 N ATOM 1008 CD2 HIS A 63 0.932 -9.888 -14.845 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.493 -11.958 -15.416 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.001 -10.821 -15.851 1.00 0.00 N ATOM 0 H HIS A 63 -0.159 -9.141 -10.123 1.00 0.00 H new ATOM 0 HA HIS A 63 1.542 -11.054 -11.348 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.794 -10.542 -12.000 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.304 -8.935 -12.500 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.269 -8.863 -14.897 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.412 -12.872 -15.985 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.383 -10.661 -16.783 1.00 0.00 H new ATOM 1019 N ARG A 64 2.362 -7.901 -11.527 1.00 0.00 N ATOM 1020 CA ARG A 64 3.410 -6.972 -11.908 1.00 0.00 C ATOM 1021 C ARG A 64 4.596 -7.111 -10.962 1.00 0.00 C ATOM 1022 O ARG A 64 5.651 -6.517 -11.182 1.00 0.00 O ATOM 1023 CB ARG A 64 2.878 -5.540 -11.879 1.00 0.00 C ATOM 1024 CG ARG A 64 1.692 -5.315 -12.801 1.00 0.00 C ATOM 1025 CD ARG A 64 2.092 -5.423 -14.264 1.00 0.00 C ATOM 1026 NE ARG A 64 0.962 -5.188 -15.158 1.00 0.00 N ATOM 1027 CZ ARG A 64 1.046 -5.246 -16.484 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.203 -5.530 -17.067 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.027 -5.019 -17.229 1.00 0.00 N ATOM 0 H ARG A 64 1.642 -7.499 -10.927 1.00 0.00 H new ATOM 0 HA ARG A 64 3.738 -7.203 -12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.587 -5.289 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.680 -4.857 -12.159 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.915 -6.047 -12.581 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.265 -4.330 -12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.880 -4.702 -14.479 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.506 -6.413 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 64 0.057 -4.967 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.031 -5.705 -16.498 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.264 -5.574 -18.084 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.919 -4.799 -16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.039 -5.064 -18.246 1.00 0.00 H new ATOM 1043 N ASN A 65 4.400 -7.897 -9.900 1.00 0.00 N ATOM 1044 CA ASN A 65 5.449 -8.141 -8.912 1.00 0.00 C ATOM 1045 C ASN A 65 5.721 -6.906 -8.058 1.00 0.00 C ATOM 1046 O ASN A 65 6.799 -6.771 -7.479 1.00 0.00 O ATOM 1047 CB ASN A 65 6.741 -8.599 -9.597 1.00 0.00 C ATOM 1048 CG ASN A 65 6.546 -9.852 -10.429 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.218 -10.048 -11.442 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.626 -10.712 -10.004 1.00 0.00 N ATOM 0 H ASN A 65 3.521 -8.376 -9.704 1.00 0.00 H new ATOM 0 HA ASN A 65 5.094 -8.933 -8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.114 -7.798 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.503 -8.784 -8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.455 -11.573 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.091 -10.511 -9.159 1.00 0.00 H new ATOM 1057 N LEU A 66 4.744 -6.008 -7.975 1.00 0.00 N ATOM 1058 CA LEU A 66 4.898 -4.804 -7.163 1.00 0.00 C ATOM 1059 C LEU A 66 4.463 -5.095 -5.736 1.00 0.00 C ATOM 1060 O LEU A 66 4.866 -4.414 -4.793 1.00 0.00 O ATOM 1061 CB LEU A 66 4.076 -3.644 -7.720 1.00 0.00 C ATOM 1062 CG LEU A 66 4.124 -3.447 -9.242 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.773 -2.013 -9.592 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.492 -3.797 -9.807 1.00 0.00 C ATOM 0 H LEU A 66 3.847 -6.088 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 66 5.949 -4.515 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.036 -3.789 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.416 -2.724 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 66 3.393 -4.121 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.810 -1.883 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.769 -1.786 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.488 -1.338 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.489 -3.646 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.248 -3.157 -9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.720 -4.840 -9.587 1.00 0.00 H new ATOM 1076 N VAL A 67 3.632 -6.120 -5.598 1.00 0.00 N ATOM 1077 CA VAL A 67 3.138 -6.548 -4.299 1.00 0.00 C ATOM 1078 C VAL A 67 3.412 -8.035 -4.098 1.00 0.00 C ATOM 1079 O VAL A 67 3.705 -8.753 -5.055 1.00 0.00 O ATOM 1080 CB VAL A 67 1.629 -6.277 -4.145 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.368 -4.791 -3.961 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.869 -6.804 -5.348 1.00 0.00 C ATOM 0 H VAL A 67 3.284 -6.675 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 67 3.665 -5.969 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 67 1.276 -6.800 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.297 -4.620 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.883 -4.439 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.737 -4.246 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.195 -6.604 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.227 -6.308 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.028 -7.879 -5.437 1.00 0.00 H new ATOM 1092 N LEU A 68 3.319 -8.495 -2.856 1.00 0.00 N ATOM 1093 CA LEU A 68 3.575 -9.896 -2.542 1.00 0.00 C ATOM 1094 C LEU A 68 2.328 -10.568 -1.985 1.00 0.00 C ATOM 1095 O LEU A 68 1.581 -9.956 -1.237 1.00 0.00 O ATOM 1096 CB LEU A 68 4.707 -10.003 -1.522 1.00 0.00 C ATOM 1097 CG LEU A 68 5.287 -11.407 -1.344 1.00 0.00 C ATOM 1098 CD1 LEU A 68 5.983 -11.866 -2.616 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.246 -11.441 -0.165 1.00 0.00 C ATOM 0 H LEU A 68 3.069 -7.920 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 68 3.861 -10.402 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.510 -9.330 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.341 -9.653 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 68 4.466 -12.094 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.388 -12.867 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.266 -11.883 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.794 -11.178 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.649 -12.447 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.062 -10.740 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.715 -11.160 0.744 1.00 0.00 H new ATOM 1111 N ARG A 69 2.111 -11.827 -2.354 1.00 0.00 N ATOM 1112 CA ARG A 69 0.950 -12.576 -1.871 1.00 0.00 C ATOM 1113 C ARG A 69 1.371 -13.679 -0.910 1.00 0.00 C ATOM 1114 O ARG A 69 2.485 -14.197 -0.994 1.00 0.00 O ATOM 1115 CB ARG A 69 0.157 -13.182 -3.025 1.00 0.00 C ATOM 1116 CG ARG A 69 1.024 -13.830 -4.083 1.00 0.00 C ATOM 1117 CD ARG A 69 0.234 -14.831 -4.909 1.00 0.00 C ATOM 1118 NE ARG A 69 1.048 -15.443 -5.956 1.00 0.00 N ATOM 1119 CZ ARG A 69 0.570 -16.299 -6.855 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -0.708 -16.649 -6.827 1.00 0.00 N ATOM 1121 NH2 ARG A 69 1.371 -16.806 -7.783 1.00 0.00 N ATOM 0 H ARG A 69 2.720 -12.350 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 69 0.312 -11.868 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.534 -13.926 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.446 -12.402 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.438 -13.062 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.867 -14.332 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.160 -15.609 -4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.622 -14.331 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 69 2.038 -15.201 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.327 -16.262 -6.115 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.072 -17.306 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.355 -16.540 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.003 -17.462 -8.471 1.00 0.00 H new ATOM 1135 N THR A 70 0.472 -14.032 0.001 1.00 0.00 N ATOM 1136 CA THR A 70 0.774 -15.064 0.978 1.00 0.00 C ATOM 1137 C THR A 70 -0.319 -16.142 1.039 1.00 0.00 C ATOM 1138 O THR A 70 -1.264 -16.138 0.251 1.00 0.00 O ATOM 1139 CB THR A 70 1.019 -14.453 2.370 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.742 -13.225 2.228 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.825 -15.393 3.252 1.00 0.00 C ATOM 0 H THR A 70 -0.459 -13.624 0.082 1.00 0.00 H new ATOM 0 HA THR A 70 1.691 -15.553 0.651 1.00 0.00 H new ATOM 0 HB THR A 70 0.050 -14.279 2.838 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.164 -12.551 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.981 -14.932 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.283 -16.330 3.376 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.790 -15.591 2.786 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.145 -17.063 1.980 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.032 -18.210 2.184 1.00 0.00 C ATOM 1151 C HIS A 71 -2.488 -17.998 1.746 1.00 0.00 C ATOM 1152 O HIS A 71 -2.968 -18.744 0.895 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.029 -18.507 3.680 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.520 -19.863 4.039 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.190 -21.031 3.743 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.611 -20.230 4.680 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.492 -22.060 4.189 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.607 -21.600 4.762 1.00 0.00 N ATOM 0 H HIS A 71 0.633 -17.035 2.639 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.652 -19.021 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.419 -17.758 4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.045 -18.401 4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.376 -19.568 5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.771 -23.099 4.101 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.334 -22.170 5.195 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.158 -16.984 2.323 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.570 -16.678 1.982 1.00 0.00 C ATOM 1169 C GLN A 72 -5.423 -16.592 3.258 1.00 0.00 C ATOM 1170 O GLN A 72 -5.574 -17.592 3.958 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.199 -17.720 1.049 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.652 -17.435 0.711 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.233 -18.441 -0.263 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -7.779 -19.470 0.138 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.116 -18.148 -1.552 1.00 0.00 N ATOM 0 H GLN A 72 -2.753 -16.363 3.024 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.554 -15.721 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.622 -17.764 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.129 -18.703 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.242 -17.440 1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.733 -16.435 0.285 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.656 -17.284 -1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.486 -18.787 -2.256 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.001 -15.407 3.594 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.866 -14.166 2.813 1.00 0.00 C ATOM 1186 C PRO A 73 -4.412 -13.839 2.524 1.00 0.00 C ATOM 1187 O PRO A 73 -3.612 -13.650 3.441 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.487 -13.102 3.718 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.453 -13.850 4.567 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.841 -15.205 4.790 1.00 0.00 C ATOM 0 HA PRO A 73 -6.347 -14.238 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.729 -12.605 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.987 -12.329 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.621 -13.336 5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.422 -13.935 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.249 -15.232 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.603 -15.979 4.880 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.078 -13.780 1.241 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.707 -13.524 0.850 1.00 0.00 C ATOM 1200 C ALA A 74 -2.171 -12.254 1.479 1.00 0.00 C ATOM 1201 O ALA A 74 -2.529 -11.151 1.072 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.606 -13.441 -0.665 1.00 0.00 C ATOM 0 H ALA A 74 -4.730 -13.905 0.467 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.098 -14.353 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.572 -13.248 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.934 -14.383 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.240 -12.632 -1.028 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.316 -12.411 2.482 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.717 -11.253 3.121 1.00 0.00 C ATOM 1210 C ARG A 75 0.052 -10.484 2.054 1.00 0.00 C ATOM 1211 O ARG A 75 0.843 -11.069 1.314 1.00 0.00 O ATOM 1212 CB ARG A 75 0.209 -11.706 4.255 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.465 -12.659 5.236 1.00 0.00 C ATOM 1214 CD ARG A 75 0.543 -13.549 5.952 1.00 0.00 C ATOM 1215 NE ARG A 75 0.002 -14.096 7.194 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.737 -14.727 8.105 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.043 -14.883 7.921 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.167 -15.201 9.204 1.00 0.00 N ATOM 0 H ARG A 75 -1.028 -13.312 2.863 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.479 -10.609 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.085 -12.194 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.565 -10.830 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.027 -12.084 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.183 -13.281 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.838 -14.366 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.443 -12.975 6.170 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.996 -13.988 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.486 -14.518 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.603 -15.368 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.835 -15.082 9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.731 -15.685 9.903 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.177 -9.179 1.962 1.00 0.00 N ATOM 1233 CA TYR A 76 0.497 -8.412 0.927 1.00 0.00 C ATOM 1234 C TYR A 76 1.655 -7.586 1.462 1.00 0.00 C ATOM 1235 O TYR A 76 1.554 -6.937 2.502 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.513 -7.540 0.176 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.531 -8.359 -0.592 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.172 -9.034 -1.755 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.841 -8.477 -0.146 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.089 -9.797 -2.454 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.766 -9.242 -0.837 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.384 -9.899 -1.989 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.300 -10.661 -2.678 1.00 0.00 O ATOM 0 H TYR A 76 -0.801 -8.647 2.568 1.00 0.00 H new ATOM 0 HA TYR A 76 0.937 -9.125 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.031 -6.896 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.019 -6.887 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.158 -8.960 -2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.143 -7.964 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.794 -10.310 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.781 -9.324 -0.476 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.165 -10.629 -2.218 1.00 0.00 H new ATOM 1253 N SER A 77 2.758 -7.624 0.719 1.00 0.00 N ATOM 1254 CA SER A 77 3.962 -6.898 1.097 1.00 0.00 C ATOM 1255 C SER A 77 4.611 -6.256 -0.123 1.00 0.00 C ATOM 1256 O SER A 77 4.708 -6.872 -1.184 1.00 0.00 O ATOM 1257 CB SER A 77 4.959 -7.840 1.776 1.00 0.00 C ATOM 1258 OG SER A 77 6.145 -7.153 2.135 1.00 0.00 O ATOM 0 H SER A 77 2.840 -8.152 -0.150 1.00 0.00 H new ATOM 0 HA SER A 77 3.678 -6.112 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.504 -8.276 2.665 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.201 -8.664 1.105 1.00 0.00 H new ATOM 0 HG SER A 77 6.174 -7.036 3.108 1.00 0.00 H new ATOM 1264 N LEU A 78 5.054 -5.017 0.036 1.00 0.00 N ATOM 1265 CA LEU A 78 5.695 -4.292 -1.053 1.00 0.00 C ATOM 1266 C LEU A 78 6.913 -5.043 -1.583 1.00 0.00 C ATOM 1267 O LEU A 78 7.837 -5.347 -0.827 1.00 0.00 O ATOM 1268 CB LEU A 78 6.158 -2.918 -0.585 1.00 0.00 C ATOM 1269 CG LEU A 78 5.118 -1.806 -0.630 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.777 -0.483 -0.301 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.455 -1.739 -1.996 1.00 0.00 C ATOM 0 H LEU A 78 4.982 -4.493 0.908 1.00 0.00 H new ATOM 0 HA LEU A 78 4.953 -4.193 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.518 -3.009 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.008 -2.617 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 78 4.345 -2.019 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.032 0.312 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.213 -0.532 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.561 -0.276 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.716 -0.937 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.210 -1.544 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.963 -2.688 -2.208 1.00 0.00 H new ATOM 1283 N THR A 79 6.917 -5.343 -2.878 1.00 0.00 N ATOM 1284 CA THR A 79 8.059 -6.020 -3.471 1.00 0.00 C ATOM 1285 C THR A 79 9.074 -4.967 -3.936 1.00 0.00 C ATOM 1286 O THR A 79 8.833 -3.779 -3.746 1.00 0.00 O ATOM 1287 CB THR A 79 7.608 -6.916 -4.643 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.203 -6.771 -4.852 1.00 0.00 O ATOM 1289 CG2 THR A 79 7.919 -8.380 -4.365 1.00 0.00 C ATOM 0 H THR A 79 6.157 -5.132 -3.524 1.00 0.00 H new ATOM 0 HA THR A 79 8.530 -6.666 -2.730 1.00 0.00 H new ATOM 0 HB THR A 79 8.153 -6.603 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.883 -7.491 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.590 -8.988 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.993 -8.504 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.397 -8.698 -3.463 1.00 0.00 H new ATOM 1297 N PRO A 80 10.221 -5.357 -4.533 1.00 0.00 N ATOM 1298 CA PRO A 80 11.232 -4.390 -4.984 1.00 0.00 C ATOM 1299 C PRO A 80 10.646 -3.181 -5.711 1.00 0.00 C ATOM 1300 O PRO A 80 10.906 -2.041 -5.329 1.00 0.00 O ATOM 1301 CB PRO A 80 12.079 -5.219 -5.941 1.00 0.00 C ATOM 1302 CG PRO A 80 12.033 -6.592 -5.370 1.00 0.00 C ATOM 1303 CD PRO A 80 10.657 -6.747 -4.780 1.00 0.00 C ATOM 0 HA PRO A 80 11.775 -3.957 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.676 -5.195 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.101 -4.844 -5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.215 -7.342 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.802 -6.724 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.984 -7.262 -5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.680 -7.329 -3.859 1.00 0.00 H new ATOM 1311 N GLU A 81 9.860 -3.425 -6.751 1.00 0.00 N ATOM 1312 CA GLU A 81 9.266 -2.331 -7.508 1.00 0.00 C ATOM 1313 C GLU A 81 8.288 -1.530 -6.653 1.00 0.00 C ATOM 1314 O GLU A 81 8.315 -0.300 -6.659 1.00 0.00 O ATOM 1315 CB GLU A 81 8.562 -2.865 -8.752 1.00 0.00 C ATOM 1316 CG GLU A 81 9.478 -3.629 -9.692 1.00 0.00 C ATOM 1317 CD GLU A 81 8.769 -4.087 -10.953 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.762 -3.323 -11.940 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.222 -5.210 -10.951 1.00 0.00 O ATOM 0 H GLU A 81 9.621 -4.358 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 81 10.071 -1.663 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.745 -3.518 -8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.116 -2.030 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.323 -2.996 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.884 -4.497 -9.172 1.00 0.00 H new ATOM 1326 N GLY A 82 7.424 -2.228 -5.920 1.00 0.00 N ATOM 1327 CA GLY A 82 6.469 -1.531 -5.077 1.00 0.00 C ATOM 1328 C GLY A 82 7.156 -0.693 -4.025 1.00 0.00 C ATOM 1329 O GLY A 82 6.638 0.338 -3.608 1.00 0.00 O ATOM 0 H GLY A 82 7.368 -3.246 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.837 -0.893 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.814 -2.256 -4.594 1.00 0.00 H new ATOM 1333 N LEU A 83 8.330 -1.144 -3.598 1.00 0.00 N ATOM 1334 CA LEU A 83 9.096 -0.428 -2.593 1.00 0.00 C ATOM 1335 C LEU A 83 9.626 0.869 -3.179 1.00 0.00 C ATOM 1336 O LEU A 83 9.442 1.944 -2.610 1.00 0.00 O ATOM 1337 CB LEU A 83 10.263 -1.289 -2.099 1.00 0.00 C ATOM 1338 CG LEU A 83 10.421 -1.376 -0.577 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.551 0.006 0.041 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.248 -2.118 0.037 1.00 0.00 C ATOM 0 H LEU A 83 8.769 -2.001 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 83 8.444 -0.203 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.139 -2.298 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.187 -0.894 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 83 11.336 -1.929 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.662 -0.087 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.426 0.508 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.658 0.590 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.376 -2.171 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.323 -1.590 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.201 -3.127 -0.372 1.00 0.00 H new ATOM 1352 N GLU A 84 10.287 0.752 -4.327 1.00 0.00 N ATOM 1353 CA GLU A 84 10.840 1.930 -4.988 1.00 0.00 C ATOM 1354 C GLU A 84 9.747 2.945 -5.258 1.00 0.00 C ATOM 1355 O GLU A 84 9.846 4.105 -4.858 1.00 0.00 O ATOM 1356 CB GLU A 84 11.519 1.545 -6.303 1.00 0.00 C ATOM 1357 CG GLU A 84 12.708 0.622 -6.124 1.00 0.00 C ATOM 1358 CD GLU A 84 13.364 0.251 -7.439 1.00 0.00 C ATOM 1359 OE1 GLU A 84 14.284 0.977 -7.870 1.00 0.00 O ATOM 1360 OE2 GLU A 84 12.957 -0.768 -8.038 1.00 0.00 O ATOM 0 H GLU A 84 10.451 -0.130 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 84 11.584 2.371 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.789 1.061 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.847 2.451 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.443 1.104 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.384 -0.286 -5.615 1.00 0.00 H new ATOM 1367 N LEU A 85 8.699 2.493 -5.931 1.00 0.00 N ATOM 1368 CA LEU A 85 7.589 3.366 -6.245 1.00 0.00 C ATOM 1369 C LEU A 85 7.002 3.954 -4.972 1.00 0.00 C ATOM 1370 O LEU A 85 6.778 5.156 -4.883 1.00 0.00 O ATOM 1371 CB LEU A 85 6.520 2.587 -7.009 1.00 0.00 C ATOM 1372 CG LEU A 85 6.409 2.916 -8.500 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.392 2.007 -9.171 1.00 0.00 C ATOM 1374 CD2 LEU A 85 6.030 4.377 -8.698 1.00 0.00 C ATOM 0 H LEU A 85 8.598 1.535 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 85 7.948 4.184 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.726 1.522 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.554 2.773 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 85 7.381 2.747 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.326 2.255 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.703 0.968 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.417 2.145 -8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.956 4.592 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.070 4.572 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.793 5.015 -8.251 1.00 0.00 H new ATOM 1386 N ALA A 86 6.781 3.101 -3.975 1.00 0.00 N ATOM 1387 CA ALA A 86 6.206 3.552 -2.712 1.00 0.00 C ATOM 1388 C ALA A 86 6.978 4.730 -2.136 1.00 0.00 C ATOM 1389 O ALA A 86 6.380 5.692 -1.657 1.00 0.00 O ATOM 1390 CB ALA A 86 6.158 2.415 -1.710 1.00 0.00 C ATOM 0 H ALA A 86 6.989 2.103 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 86 5.188 3.885 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.726 2.772 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.545 1.606 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.168 2.049 -1.527 1.00 0.00 H new ATOM 1396 N GLN A 87 8.306 4.649 -2.171 1.00 0.00 N ATOM 1397 CA GLN A 87 9.127 5.739 -1.662 1.00 0.00 C ATOM 1398 C GLN A 87 8.760 7.021 -2.390 1.00 0.00 C ATOM 1399 O GLN A 87 8.755 8.108 -1.812 1.00 0.00 O ATOM 1400 CB GLN A 87 10.614 5.433 -1.858 1.00 0.00 C ATOM 1401 CG GLN A 87 11.099 4.233 -1.062 1.00 0.00 C ATOM 1402 CD GLN A 87 12.571 3.943 -1.283 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.938 3.188 -2.184 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.422 4.542 -0.459 1.00 0.00 N ATOM 0 H GLN A 87 8.827 3.854 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 87 8.942 5.856 -0.594 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.803 5.257 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.197 6.308 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.923 4.410 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.514 3.356 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.073 5.160 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.425 4.384 -0.559 1.00 0.00 H new ATOM 1413 N LYS A 88 8.452 6.869 -3.671 1.00 0.00 N ATOM 1414 CA LYS A 88 8.066 8.001 -4.499 1.00 0.00 C ATOM 1415 C LYS A 88 6.671 8.491 -4.126 1.00 0.00 C ATOM 1416 O LYS A 88 6.459 9.682 -3.896 1.00 0.00 O ATOM 1417 CB LYS A 88 8.101 7.592 -5.968 1.00 0.00 C ATOM 1418 CG LYS A 88 9.342 6.793 -6.342 1.00 0.00 C ATOM 1419 CD LYS A 88 9.315 6.342 -7.792 1.00 0.00 C ATOM 1420 CE LYS A 88 10.421 5.336 -8.082 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.422 4.906 -9.508 1.00 0.00 N ATOM 0 H LYS A 88 8.462 5.973 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 88 8.770 8.816 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.214 7.000 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.053 8.487 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.230 7.401 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.421 5.921 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.347 5.895 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.427 7.207 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.387 5.777 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.296 4.464 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.189 4.222 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.510 4.462 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.567 5.734 -10.120 1.00 0.00 H new ATOM 1435 N LEU A 89 5.720 7.562 -4.078 1.00 0.00 N ATOM 1436 CA LEU A 89 4.352 7.892 -3.720 1.00 0.00 C ATOM 1437 C LEU A 89 4.314 8.552 -2.350 1.00 0.00 C ATOM 1438 O LEU A 89 3.395 9.307 -2.027 1.00 0.00 O ATOM 1439 CB LEU A 89 3.503 6.619 -3.707 1.00 0.00 C ATOM 1440 CG LEU A 89 3.065 6.105 -5.081 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.260 5.812 -5.970 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.206 4.859 -4.930 1.00 0.00 C ATOM 0 H LEU A 89 5.876 6.575 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 89 3.949 8.587 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.067 5.832 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.612 6.803 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 89 2.476 6.889 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.913 5.449 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.841 6.724 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.885 5.053 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.902 4.505 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.779 4.081 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.320 5.097 -4.341 1.00 0.00 H new ATOM 1454 N ALA A 90 5.329 8.253 -1.556 1.00 0.00 N ATOM 1455 CA ALA A 90 5.433 8.798 -0.207 1.00 0.00 C ATOM 1456 C ALA A 90 5.886 10.253 -0.224 1.00 0.00 C ATOM 1457 O ALA A 90 5.521 11.036 0.651 1.00 0.00 O ATOM 1458 CB ALA A 90 6.390 7.954 0.618 1.00 0.00 C ATOM 0 H ALA A 90 6.096 7.635 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 90 4.443 8.768 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.463 8.366 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.019 6.930 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.375 7.959 0.151 1.00 0.00 H new ATOM 1464 N GLU A 91 6.687 10.606 -1.224 1.00 0.00 N ATOM 1465 CA GLU A 91 7.189 11.972 -1.347 1.00 0.00 C ATOM 1466 C GLU A 91 6.031 12.959 -1.341 1.00 0.00 C ATOM 1467 O GLU A 91 6.081 13.998 -0.681 1.00 0.00 O ATOM 1468 CB GLU A 91 7.993 12.142 -2.632 1.00 0.00 C ATOM 1469 CG GLU A 91 8.962 11.009 -2.882 1.00 0.00 C ATOM 1470 CD GLU A 91 9.719 11.161 -4.186 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.156 10.810 -5.245 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.874 11.634 -4.150 1.00 0.00 O ATOM 0 H GLU A 91 7.002 9.971 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 91 7.841 12.170 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.306 12.217 -3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.545 13.081 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.674 10.957 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.416 10.066 -2.892 1.00 0.00 H new ATOM 1479 N SER A 92 4.991 12.618 -2.089 1.00 0.00 N ATOM 1480 CA SER A 92 3.807 13.459 -2.188 1.00 0.00 C ATOM 1481 C SER A 92 3.125 13.621 -0.831 1.00 0.00 C ATOM 1482 O SER A 92 2.502 14.649 -0.560 1.00 0.00 O ATOM 1483 CB SER A 92 2.837 12.849 -3.198 1.00 0.00 C ATOM 1484 OG SER A 92 1.690 13.665 -3.366 1.00 0.00 O ATOM 0 H SER A 92 4.944 11.760 -2.639 1.00 0.00 H new ATOM 0 HA SER A 92 4.112 14.450 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.339 12.722 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.535 11.857 -2.862 1.00 0.00 H new ATOM 0 HG SER A 92 1.087 13.252 -4.019 1.00 0.00 H new ATOM 1490 N GLU A 93 3.246 12.605 0.016 1.00 0.00 N ATOM 1491 CA GLU A 93 2.640 12.649 1.338 1.00 0.00 C ATOM 1492 C GLU A 93 3.607 13.261 2.341 1.00 0.00 C ATOM 1493 O GLU A 93 3.291 13.400 3.522 1.00 0.00 O ATOM 1494 CB GLU A 93 2.283 11.237 1.793 1.00 0.00 C ATOM 1495 CG GLU A 93 1.625 10.392 0.720 1.00 0.00 C ATOM 1496 CD GLU A 93 0.217 10.850 0.395 1.00 0.00 C ATOM 1497 OE1 GLU A 93 0.064 11.704 -0.505 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.732 10.357 1.038 1.00 0.00 O ATOM 0 H GLU A 93 3.756 11.746 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 93 1.738 13.259 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.189 10.735 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.615 11.301 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.231 10.425 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.598 9.353 1.048 1.00 0.00 H new ATOM 1505 N GLY A 94 4.787 13.626 1.857 1.00 0.00 N ATOM 1506 CA GLY A 94 5.784 14.180 2.747 1.00 0.00 C ATOM 1507 C GLY A 94 6.513 13.069 3.468 1.00 0.00 C ATOM 1508 O GLY A 94 7.383 13.312 4.304 1.00 0.00 O ATOM 0 H GLY A 94 5.068 13.550 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.494 14.783 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.309 14.843 3.470 1.00 0.00 H new ATOM 1512 N LEU A 95 6.135 11.839 3.126 1.00 0.00 N ATOM 1513 CA LEU A 95 6.724 10.646 3.712 1.00 0.00 C ATOM 1514 C LEU A 95 6.484 10.608 5.216 1.00 0.00 C ATOM 1515 O LEU A 95 7.306 10.097 5.978 1.00 0.00 O ATOM 1516 CB LEU A 95 8.220 10.585 3.408 1.00 0.00 C ATOM 1517 CG LEU A 95 8.730 9.228 2.911 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.247 9.167 2.988 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.104 8.089 3.707 1.00 0.00 C ATOM 0 H LEU A 95 5.411 11.646 2.434 1.00 0.00 H new ATOM 0 HA LEU A 95 6.244 9.774 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.453 11.340 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.769 10.853 4.311 1.00 0.00 H new ATOM 0 HG LEU A 95 8.434 9.114 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.591 8.196 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.675 9.954 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.565 9.307 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.481 7.136 3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.362 8.196 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.020 8.119 3.594 1.00 0.00 H new ATOM 1531 N SER A 96 5.342 11.143 5.632 1.00 0.00 N ATOM 1532 CA SER A 96 4.982 11.174 7.042 1.00 0.00 C ATOM 1533 C SER A 96 4.117 9.971 7.404 1.00 0.00 C ATOM 1534 O SER A 96 3.202 10.076 8.222 1.00 0.00 O ATOM 1535 CB SER A 96 4.239 12.471 7.364 1.00 0.00 C ATOM 1536 OG SER A 96 5.061 13.601 7.132 1.00 0.00 O ATOM 0 H SER A 96 4.649 11.561 5.011 1.00 0.00 H new ATOM 0 HA SER A 96 5.897 11.131 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.340 12.540 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.916 12.460 8.405 1.00 0.00 H new ATOM 0 HG SER A 96 4.562 14.417 7.344 1.00 0.00 H new ATOM 1542 N LEU A 97 4.419 8.825 6.799 1.00 0.00 N ATOM 1543 CA LEU A 97 3.652 7.615 7.072 1.00 0.00 C ATOM 1544 C LEU A 97 4.065 7.008 8.408 1.00 0.00 C ATOM 1545 O LEU A 97 3.324 7.089 9.389 1.00 0.00 O ATOM 1546 CB LEU A 97 3.844 6.591 5.948 1.00 0.00 C ATOM 1547 CG LEU A 97 3.325 7.020 4.573 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.239 8.064 3.945 1.00 0.00 C ATOM 1549 CD2 LEU A 97 3.187 5.811 3.660 1.00 0.00 C ATOM 0 H LEU A 97 5.177 8.710 6.127 1.00 0.00 H new ATOM 0 HA LEU A 97 2.597 7.886 7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.907 6.366 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.344 5.665 6.234 1.00 0.00 H new ATOM 0 HG LEU A 97 2.342 7.471 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.847 8.351 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.286 8.942 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.239 7.648 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.817 6.131 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.159 5.333 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.486 5.102 4.099 1.00 0.00 H new