USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=15 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.3) USER MOD Single : A 9 SER OG : rot 21:sc= -1.97! USER MOD Single : A 19 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 22 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.34) USER MOD Single : A 24 ASN : amide:sc= -3.13! C(o=-3.1!,f=-10!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-0.9) USER MOD Single : A 32 THR OG1 : rot -89:sc= -0.543 USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= -0.635 (180deg=-2.92!) USER MOD Single : A 38 GLN : amide:sc= -3.49 K(o=-3.5,f=-1.7) USER MOD Single : A 40 CYS SG : rot -21:sc= -1.11 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -3.02 (180deg=-5.75!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 59:sc= -1.72! 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 77 SER OG : rot 180:sc= -1.06 USER MOD Single : A 79 THR OG1 : rot 126:sc= -2.44! USER MOD Single : A 87 GLN : amide:sc= -3.34! K(o=-3.3!,f=-0.38) 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 38:sc= 0.144 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.952 2.962 -15.208 1.00 0.00 N ATOM 20 CA TYR A 3 4.686 2.707 -14.527 1.00 0.00 C ATOM 21 C TYR A 3 4.466 3.711 -13.401 1.00 0.00 C ATOM 22 O TYR A 3 5.196 3.716 -12.409 1.00 0.00 O ATOM 23 CB TYR A 3 4.662 1.281 -13.972 1.00 0.00 C ATOM 24 CG TYR A 3 3.358 0.910 -13.302 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.263 0.499 -14.052 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.222 0.968 -11.920 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.070 0.157 -13.444 1.00 0.00 C ATOM 28 CE2 TYR A 3 2.033 0.627 -11.305 1.00 0.00 C ATOM 29 CZ TYR A 3 0.960 0.223 -12.071 1.00 0.00 C ATOM 30 OH TYR A 3 -0.227 -0.116 -11.463 1.00 0.00 O ATOM 0 HA TYR A 3 3.879 2.819 -15.251 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.854 0.581 -14.785 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.474 1.166 -13.254 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.345 0.446 -15.128 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.060 1.285 -11.317 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.228 -0.160 -14.041 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.944 0.677 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.137 -0.016 -10.492 1.00 0.00 H new ATOM 40 N TRP A 4 3.456 4.561 -13.560 1.00 0.00 N ATOM 41 CA TRP A 4 3.142 5.572 -12.556 1.00 0.00 C ATOM 42 C TRP A 4 1.636 5.828 -12.487 1.00 0.00 C ATOM 43 O TRP A 4 1.096 6.595 -13.284 1.00 0.00 O ATOM 44 CB TRP A 4 3.878 6.877 -12.870 1.00 0.00 C ATOM 45 CG TRP A 4 3.622 7.964 -11.868 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.631 8.902 -11.911 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.373 8.225 -10.676 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.719 9.730 -10.818 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.780 9.336 -10.046 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.488 7.628 -10.081 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.265 9.858 -8.850 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.968 8.149 -8.894 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.356 9.254 -8.290 1.00 0.00 C ATOM 0 H TRP A 4 2.841 4.570 -14.374 1.00 0.00 H new ATOM 0 HA TRP A 4 3.472 5.198 -11.587 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.949 6.679 -12.914 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.577 7.226 -13.858 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.887 8.982 -12.690 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.096 10.511 -10.614 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.966 6.775 -10.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.796 10.710 -8.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.829 7.696 -8.425 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.754 9.637 -7.362 1.00 0.00 H new ATOM 64 N PRO A 5 0.933 5.179 -11.538 1.00 0.00 N ATOM 65 CA PRO A 5 -0.514 5.353 -11.371 1.00 0.00 C ATOM 66 C PRO A 5 -0.874 6.777 -10.963 1.00 0.00 C ATOM 67 O PRO A 5 0.003 7.624 -10.792 1.00 0.00 O ATOM 68 CB PRO A 5 -0.877 4.371 -10.247 1.00 0.00 C ATOM 69 CG PRO A 5 0.278 3.431 -10.157 1.00 0.00 C ATOM 70 CD PRO A 5 1.484 4.223 -10.565 1.00 0.00 C ATOM 0 HA PRO A 5 -1.053 5.168 -12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.033 4.894 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.801 3.838 -10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.389 3.044 -9.144 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.135 2.572 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.942 4.729 -9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.252 3.590 -11.010 1.00 0.00 H new ATOM 78 N ALA A 6 -2.168 7.036 -10.807 1.00 0.00 N ATOM 79 CA ALA A 6 -2.638 8.360 -10.414 1.00 0.00 C ATOM 80 C ALA A 6 -2.387 8.607 -8.929 1.00 0.00 C ATOM 81 O ALA A 6 -1.611 7.890 -8.297 1.00 0.00 O ATOM 82 CB ALA A 6 -4.114 8.515 -10.745 1.00 0.00 C ATOM 0 H ALA A 6 -2.909 6.349 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.077 9.106 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.452 9.507 -10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.262 8.389 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.688 7.760 -10.209 1.00 0.00 H new ATOM 88 N ARG A 7 -3.044 9.622 -8.377 1.00 0.00 N ATOM 89 CA ARG A 7 -2.878 9.963 -6.967 1.00 0.00 C ATOM 90 C ARG A 7 -3.933 9.280 -6.100 1.00 0.00 C ATOM 91 O ARG A 7 -5.074 9.095 -6.525 1.00 0.00 O ATOM 92 CB ARG A 7 -2.955 11.480 -6.782 1.00 0.00 C ATOM 93 CG ARG A 7 -2.703 11.934 -5.353 1.00 0.00 C ATOM 94 CD ARG A 7 -2.850 13.441 -5.215 1.00 0.00 C ATOM 95 NE ARG A 7 -1.938 14.164 -6.098 1.00 0.00 N ATOM 96 CZ ARG A 7 -1.992 15.477 -6.301 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.912 16.209 -5.685 1.00 0.00 N ATOM 98 NH2 ARG A 7 -1.128 16.059 -7.120 1.00 0.00 N ATOM 0 H ARG A 7 -3.695 10.222 -8.883 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.898 9.607 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.226 11.955 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.940 11.826 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.403 11.436 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.701 11.635 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.877 13.727 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.659 13.731 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.219 13.631 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.579 15.764 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.952 17.216 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.420 15.500 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.171 17.066 -7.275 1.00 0.00 H new ATOM 112 N HIS A 8 -3.531 8.910 -4.880 1.00 0.00 N ATOM 113 CA HIS A 8 -4.417 8.250 -3.915 1.00 0.00 C ATOM 114 C HIS A 8 -5.324 7.216 -4.583 1.00 0.00 C ATOM 115 O HIS A 8 -6.433 6.958 -4.115 1.00 0.00 O ATOM 116 CB HIS A 8 -5.265 9.287 -3.165 1.00 0.00 C ATOM 117 CG HIS A 8 -6.231 10.034 -4.033 1.00 0.00 C ATOM 118 ND1 HIS A 8 -7.462 9.530 -4.395 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.144 11.257 -4.608 1.00 0.00 C ATOM 120 CE1 HIS A 8 -8.089 10.408 -5.158 1.00 0.00 C ATOM 121 NE2 HIS A 8 -7.312 11.465 -5.301 1.00 0.00 N ATOM 0 H HIS A 8 -2.583 9.059 -4.534 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.781 7.723 -3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.820 8.783 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.600 10.003 -2.681 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.831 8.621 -4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.312 11.941 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.070 10.282 -5.591 1.00 0.00 H new ATOM 130 N SER A 9 -4.843 6.614 -5.666 1.00 0.00 N ATOM 131 CA SER A 9 -5.617 5.608 -6.387 1.00 0.00 C ATOM 132 C SER A 9 -5.561 4.264 -5.670 1.00 0.00 C ATOM 133 O SER A 9 -4.966 4.148 -4.602 1.00 0.00 O ATOM 134 CB SER A 9 -5.096 5.459 -7.816 1.00 0.00 C ATOM 135 OG SER A 9 -5.228 6.672 -8.533 1.00 0.00 O ATOM 0 H SER A 9 -3.923 6.804 -6.063 1.00 0.00 H new ATOM 0 HA SER A 9 -6.655 5.940 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.049 5.157 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.646 4.669 -8.327 1.00 0.00 H new ATOM 0 HG SER A 9 -5.310 7.418 -7.902 1.00 0.00 H new ATOM 141 N GLY A 10 -6.183 3.251 -6.263 1.00 0.00 N ATOM 142 CA GLY A 10 -6.180 1.934 -5.653 1.00 0.00 C ATOM 143 C GLY A 10 -4.783 1.358 -5.533 1.00 0.00 C ATOM 144 O GLY A 10 -4.310 1.082 -4.433 1.00 0.00 O ATOM 0 H GLY A 10 -6.686 3.317 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.632 1.994 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.799 1.260 -6.246 1.00 0.00 H new ATOM 148 N ALA A 11 -4.120 1.184 -6.672 1.00 0.00 N ATOM 149 CA ALA A 11 -2.768 0.638 -6.684 1.00 0.00 C ATOM 150 C ALA A 11 -1.785 1.570 -5.976 1.00 0.00 C ATOM 151 O ALA A 11 -0.784 1.125 -5.411 1.00 0.00 O ATOM 152 CB ALA A 11 -2.322 0.378 -8.116 1.00 0.00 C ATOM 0 H ALA A 11 -4.494 1.412 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.778 -0.306 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.311 -0.030 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.000 -0.335 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.335 1.313 -8.677 1.00 0.00 H new ATOM 158 N ARG A 12 -2.083 2.864 -6.009 1.00 0.00 N ATOM 159 CA ARG A 12 -1.233 3.867 -5.387 1.00 0.00 C ATOM 160 C ARG A 12 -1.247 3.735 -3.873 1.00 0.00 C ATOM 161 O ARG A 12 -0.206 3.575 -3.234 1.00 0.00 O ATOM 162 CB ARG A 12 -1.740 5.256 -5.770 1.00 0.00 C ATOM 163 CG ARG A 12 -0.677 6.336 -5.732 1.00 0.00 C ATOM 164 CD ARG A 12 -0.427 6.832 -4.316 1.00 0.00 C ATOM 165 NE ARG A 12 0.458 7.993 -4.295 1.00 0.00 N ATOM 166 CZ ARG A 12 0.408 8.942 -3.366 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.473 8.862 -2.378 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.238 9.974 -3.425 1.00 0.00 N ATOM 0 H ARG A 12 -2.914 3.243 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.211 3.720 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.163 5.213 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.549 5.534 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.251 5.947 -6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.985 7.171 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.377 7.091 -3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.012 6.030 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 12 1.154 8.081 -5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.115 8.071 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.509 9.592 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.916 10.040 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.199 10.702 -2.711 1.00 0.00 H new ATOM 182 N VAL A 13 -2.444 3.798 -3.314 1.00 0.00 N ATOM 183 CA VAL A 13 -2.622 3.725 -1.878 1.00 0.00 C ATOM 184 C VAL A 13 -2.144 2.395 -1.292 1.00 0.00 C ATOM 185 O VAL A 13 -1.661 2.355 -0.162 1.00 0.00 O ATOM 186 CB VAL A 13 -4.098 3.955 -1.489 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.299 3.764 0.004 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.552 5.342 -1.910 1.00 0.00 C ATOM 0 H VAL A 13 -3.312 3.900 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.005 4.518 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.705 3.217 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.347 3.931 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.017 2.748 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.678 4.475 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.595 5.485 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.936 6.092 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.452 5.445 -2.990 1.00 0.00 H new ATOM 198 N ILE A 14 -2.270 1.308 -2.053 1.00 0.00 N ATOM 199 CA ILE A 14 -1.859 0.004 -1.546 1.00 0.00 C ATOM 200 C ILE A 14 -0.338 -0.119 -1.412 1.00 0.00 C ATOM 201 O ILE A 14 0.164 -0.458 -0.345 1.00 0.00 O ATOM 202 CB ILE A 14 -2.401 -1.158 -2.412 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.849 -1.103 -3.837 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.921 -1.143 -2.434 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.293 -2.261 -4.704 1.00 0.00 C ATOM 0 H ILE A 14 -2.645 1.304 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.297 -0.072 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.063 -2.090 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.163 -0.169 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.760 -1.088 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.284 -1.967 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.301 -1.252 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.270 -0.199 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.863 -2.155 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.956 -3.198 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.381 -2.265 -4.777 1.00 0.00 H new ATOM 217 N LEU A 15 0.400 0.155 -2.485 1.00 0.00 N ATOM 218 CA LEU A 15 1.855 0.038 -2.399 1.00 0.00 C ATOM 219 C LEU A 15 2.430 1.018 -1.381 1.00 0.00 C ATOM 220 O LEU A 15 3.414 0.724 -0.706 1.00 0.00 O ATOM 221 CB LEU A 15 2.498 0.275 -3.769 1.00 0.00 C ATOM 222 CG LEU A 15 1.929 -0.571 -4.906 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.146 0.117 -6.242 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.570 -1.948 -4.908 1.00 0.00 C ATOM 0 H LEU A 15 0.035 0.448 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 15 2.084 -0.975 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.386 1.328 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.567 0.078 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 15 0.856 -0.686 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.734 -0.500 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.646 1.086 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.214 0.260 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.156 -2.541 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.647 -1.848 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.368 -2.445 -3.959 1.00 0.00 H new ATOM 236 N LEU A 16 1.794 2.173 -1.260 1.00 0.00 N ATOM 237 CA LEU A 16 2.254 3.194 -0.345 1.00 0.00 C ATOM 238 C LEU A 16 2.008 2.782 1.102 1.00 0.00 C ATOM 239 O LEU A 16 2.889 2.883 1.967 1.00 0.00 O ATOM 240 CB LEU A 16 1.511 4.481 -0.672 1.00 0.00 C ATOM 241 CG LEU A 16 1.842 5.667 0.210 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.327 5.985 0.143 1.00 0.00 C ATOM 243 CD2 LEU A 16 1.011 6.865 -0.206 1.00 0.00 C ATOM 0 H LEU A 16 0.957 2.422 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 16 3.328 3.339 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.723 4.750 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.440 4.289 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 16 1.601 5.419 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.545 6.840 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.900 5.122 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.602 6.222 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.253 7.715 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.229 7.116 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.048 6.626 -0.105 1.00 0.00 H new ATOM 255 N VAL A 17 0.801 2.308 1.355 1.00 0.00 N ATOM 256 CA VAL A 17 0.416 1.874 2.682 1.00 0.00 C ATOM 257 C VAL A 17 1.204 0.631 3.097 1.00 0.00 C ATOM 258 O VAL A 17 1.646 0.523 4.241 1.00 0.00 O ATOM 259 CB VAL A 17 -1.099 1.618 2.738 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.460 0.239 2.227 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.631 1.828 4.141 1.00 0.00 C ATOM 0 H VAL A 17 0.068 2.214 0.652 1.00 0.00 H new ATOM 0 HA VAL A 17 0.654 2.667 3.391 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.573 2.343 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.540 0.101 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.136 0.138 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.965 -0.516 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.705 1.641 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.134 1.140 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.437 2.854 4.454 1.00 0.00 H new ATOM 271 N LEU A 18 1.375 -0.306 2.164 1.00 0.00 N ATOM 272 CA LEU A 18 2.149 -1.507 2.440 1.00 0.00 C ATOM 273 C LEU A 18 3.584 -1.119 2.742 1.00 0.00 C ATOM 274 O LEU A 18 4.292 -1.812 3.471 1.00 0.00 O ATOM 275 CB LEU A 18 2.120 -2.451 1.234 1.00 0.00 C ATOM 276 CG LEU A 18 0.967 -3.449 1.193 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.193 -4.564 2.200 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.369 -2.773 1.451 1.00 0.00 C ATOM 0 H LEU A 18 0.990 -0.254 1.221 1.00 0.00 H new ATOM 0 HA LEU A 18 1.713 -2.019 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.085 -1.848 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.057 -3.007 1.211 1.00 0.00 H new ATOM 0 HG LEU A 18 0.938 -3.875 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.361 -5.267 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.121 -5.085 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.260 -4.141 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.166 -3.516 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.356 -2.304 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.545 -2.013 0.690 1.00 0.00 H new ATOM 290 N TYR A 19 3.999 0.002 2.164 1.00 0.00 N ATOM 291 CA TYR A 19 5.359 0.496 2.353 1.00 0.00 C ATOM 292 C TYR A 19 5.686 0.681 3.825 1.00 0.00 C ATOM 293 O TYR A 19 6.587 0.028 4.345 1.00 0.00 O ATOM 294 CB TYR A 19 5.557 1.816 1.609 1.00 0.00 C ATOM 295 CG TYR A 19 6.946 2.396 1.755 1.00 0.00 C ATOM 296 CD1 TYR A 19 8.005 1.913 0.998 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.195 3.427 2.651 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.275 2.441 1.131 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.462 3.961 2.789 1.00 0.00 C ATOM 300 CZ TYR A 19 9.497 3.464 2.027 1.00 0.00 C ATOM 301 OH TYR A 19 10.761 3.992 2.163 1.00 0.00 O ATOM 0 H TYR A 19 3.416 0.585 1.563 1.00 0.00 H new ATOM 0 HA TYR A 19 6.038 -0.253 1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.347 1.661 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.830 2.541 1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.833 1.112 0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.386 3.818 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.089 2.054 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.640 4.763 3.490 1.00 0.00 H new ATOM 0 HH TYR A 19 10.747 4.706 2.835 1.00 0.00 H new ATOM 311 N ARG A 20 4.942 1.541 4.509 1.00 0.00 N ATOM 312 CA ARG A 20 5.209 1.770 5.928 1.00 0.00 C ATOM 313 C ARG A 20 5.131 0.463 6.716 1.00 0.00 C ATOM 314 O ARG A 20 6.031 0.141 7.491 1.00 0.00 O ATOM 315 CB ARG A 20 4.220 2.797 6.491 1.00 0.00 C ATOM 316 CG ARG A 20 4.364 3.052 7.985 1.00 0.00 C ATOM 317 CD ARG A 20 3.526 2.086 8.808 1.00 0.00 C ATOM 318 NE ARG A 20 3.637 2.350 10.240 1.00 0.00 N ATOM 319 CZ ARG A 20 2.983 1.662 11.170 1.00 0.00 C ATOM 320 NH1 ARG A 20 2.172 0.671 10.821 1.00 0.00 N ATOM 321 NH2 ARG A 20 3.139 1.963 12.452 1.00 0.00 N ATOM 0 H ARG A 20 4.168 2.080 4.120 1.00 0.00 H new ATOM 0 HA ARG A 20 6.220 2.164 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.351 3.739 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.205 2.455 6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.412 2.958 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.064 4.075 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.482 2.163 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.844 1.064 8.602 1.00 0.00 H new ATOM 0 HE ARG A 20 4.251 3.105 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.049 0.435 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.672 0.145 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.762 2.723 12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.636 1.434 13.165 1.00 0.00 H new ATOM 335 N GLU A 21 4.051 -0.278 6.508 1.00 0.00 N ATOM 336 CA GLU A 21 3.896 -1.544 7.219 1.00 0.00 C ATOM 337 C GLU A 21 5.065 -2.481 6.932 1.00 0.00 C ATOM 338 O GLU A 21 5.428 -3.307 7.766 1.00 0.00 O ATOM 339 CB GLU A 21 2.585 -2.217 6.820 1.00 0.00 C ATOM 340 CG GLU A 21 2.376 -3.564 7.486 1.00 0.00 C ATOM 341 CD GLU A 21 2.238 -3.454 8.993 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.277 -3.449 9.686 1.00 0.00 O ATOM 343 OE2 GLU A 21 1.091 -3.372 9.480 1.00 0.00 O ATOM 0 H GLU A 21 3.290 -0.037 5.874 1.00 0.00 H new ATOM 0 HA GLU A 21 3.880 -1.329 8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.754 -1.560 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.566 -2.347 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.482 -4.033 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.216 -4.217 7.248 1.00 0.00 H new ATOM 350 N HIS A 22 5.649 -2.347 5.751 1.00 0.00 N ATOM 351 CA HIS A 22 6.783 -3.191 5.391 1.00 0.00 C ATOM 352 C HIS A 22 8.045 -2.717 6.100 1.00 0.00 C ATOM 353 O HIS A 22 8.869 -3.523 6.533 1.00 0.00 O ATOM 354 CB HIS A 22 6.987 -3.184 3.878 1.00 0.00 C ATOM 355 CG HIS A 22 8.239 -3.875 3.426 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.248 -5.150 2.902 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.526 -3.454 3.409 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.486 -5.484 2.584 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.280 -4.472 2.881 1.00 0.00 N ATOM 0 H HIS A 22 5.365 -1.677 5.037 1.00 0.00 H new ATOM 0 HA HIS A 22 6.572 -4.212 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.130 -3.662 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.009 -2.151 3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.891 -2.496 3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.796 -6.425 2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.290 -4.450 2.741 1.00 0.00 H new ATOM 368 N LEU A 23 8.185 -1.402 6.214 1.00 0.00 N ATOM 369 CA LEU A 23 9.340 -0.816 6.877 1.00 0.00 C ATOM 370 C LEU A 23 9.197 -0.891 8.389 1.00 0.00 C ATOM 371 O LEU A 23 9.988 -0.303 9.123 1.00 0.00 O ATOM 372 CB LEU A 23 9.517 0.639 6.447 1.00 0.00 C ATOM 373 CG LEU A 23 10.203 0.833 5.098 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.280 0.454 3.953 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.689 2.264 4.950 1.00 0.00 C ATOM 0 H LEU A 23 7.513 -0.723 5.856 1.00 0.00 H new ATOM 0 HA LEU A 23 10.221 -1.387 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.536 1.113 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.095 1.160 7.210 1.00 0.00 H new ATOM 0 HG LEU A 23 11.067 0.170 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.797 0.603 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.992 -0.593 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.388 1.080 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.176 2.385 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.841 2.945 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.400 2.491 5.744 1.00 0.00 H new ATOM 387 N ASN A 24 8.184 -1.619 8.845 1.00 0.00 N ATOM 388 CA ASN A 24 7.930 -1.766 10.273 1.00 0.00 C ATOM 389 C ASN A 24 8.886 -2.759 10.931 1.00 0.00 C ATOM 390 O ASN A 24 8.786 -3.966 10.711 1.00 0.00 O ATOM 391 CB ASN A 24 6.491 -2.217 10.518 1.00 0.00 C ATOM 392 CG ASN A 24 5.565 -1.047 10.759 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.982 -0.496 9.828 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.431 -0.654 12.018 1.00 0.00 N ATOM 0 H ASN A 24 7.525 -2.117 8.246 1.00 0.00 H new ATOM 0 HA ASN A 24 8.094 -0.787 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.138 -2.788 9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.462 -2.886 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.825 0.135 12.244 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.934 -1.140 12.760 1.00 0.00 H new ATOM 401 N PRO A 25 9.829 -2.260 11.749 1.00 0.00 N ATOM 402 CA PRO A 25 10.778 -3.109 12.470 1.00 0.00 C ATOM 403 C PRO A 25 10.072 -3.893 13.562 1.00 0.00 C ATOM 404 O PRO A 25 10.318 -5.083 13.759 1.00 0.00 O ATOM 405 CB PRO A 25 11.766 -2.121 13.102 1.00 0.00 C ATOM 406 CG PRO A 25 11.490 -0.803 12.460 1.00 0.00 C ATOM 407 CD PRO A 25 10.052 -0.838 12.033 1.00 0.00 C ATOM 0 HA PRO A 25 11.259 -3.835 11.815 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.628 -2.067 14.182 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.796 -2.433 12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.669 0.015 13.158 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.146 -0.642 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.389 -0.474 12.818 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.876 -0.218 11.154 1.00 0.00 H new ATOM 415 N ASN A 26 9.191 -3.196 14.270 1.00 0.00 N ATOM 416 CA ASN A 26 8.426 -3.794 15.350 1.00 0.00 C ATOM 417 C ASN A 26 7.063 -4.255 14.846 1.00 0.00 C ATOM 418 O ASN A 26 6.121 -4.413 15.623 1.00 0.00 O ATOM 419 CB ASN A 26 8.244 -2.785 16.484 1.00 0.00 C ATOM 420 CG ASN A 26 9.530 -2.531 17.245 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.305 -1.640 16.896 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.763 -3.312 18.293 1.00 0.00 N ATOM 0 H ASN A 26 8.990 -2.209 14.111 1.00 0.00 H new ATOM 0 HA ASN A 26 8.973 -4.659 15.724 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.876 -1.844 16.074 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.483 -3.151 17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.612 -3.186 18.845 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.093 -4.038 18.547 1.00 0.00 H new ATOM 429 N GLY A 27 6.971 -4.479 13.539 1.00 0.00 N ATOM 430 CA GLY A 27 5.711 -4.912 12.968 1.00 0.00 C ATOM 431 C GLY A 27 5.899 -5.921 11.855 1.00 0.00 C ATOM 432 O GLY A 27 7.025 -6.310 11.545 1.00 0.00 O ATOM 0 H GLY A 27 7.736 -4.370 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.092 -5.350 13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.173 -4.046 12.583 1.00 0.00 H new ATOM 436 N HIS A 28 4.795 -6.347 11.255 1.00 0.00 N ATOM 437 CA HIS A 28 4.847 -7.314 10.169 1.00 0.00 C ATOM 438 C HIS A 28 5.095 -6.614 8.838 1.00 0.00 C ATOM 439 O HIS A 28 4.517 -5.563 8.565 1.00 0.00 O ATOM 440 CB HIS A 28 3.543 -8.111 10.105 1.00 0.00 C ATOM 441 CG HIS A 28 3.274 -8.916 11.337 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.521 -10.271 11.420 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.774 -8.553 12.542 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.185 -10.706 12.622 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.729 -9.684 13.321 1.00 0.00 N ATOM 0 H HIS A 28 3.855 -6.038 11.502 1.00 0.00 H new ATOM 0 HA HIS A 28 5.672 -8.000 10.361 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.714 -7.423 9.942 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.577 -8.779 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.468 -7.560 12.836 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.269 -11.724 12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.397 -9.727 14.284 1.00 0.00 H new ATOM 454 N HIS A 29 5.957 -7.200 8.014 1.00 0.00 N ATOM 455 CA HIS A 29 6.276 -6.631 6.707 1.00 0.00 C ATOM 456 C HIS A 29 5.159 -6.923 5.708 1.00 0.00 C ATOM 457 O HIS A 29 5.409 -7.122 4.519 1.00 0.00 O ATOM 458 CB HIS A 29 7.602 -7.197 6.192 1.00 0.00 C ATOM 459 CG HIS A 29 8.782 -6.810 7.028 1.00 0.00 C ATOM 460 ND1 HIS A 29 9.881 -6.149 6.519 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.037 -6.997 8.345 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.759 -5.949 7.485 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.270 -6.453 8.603 1.00 0.00 N ATOM 0 H HIS A 29 6.448 -8.068 8.227 1.00 0.00 H new ATOM 0 HA HIS A 29 6.371 -5.551 6.816 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.534 -8.284 6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.762 -6.853 5.170 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.390 -7.484 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 29 11.714 -5.457 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.734 -6.440 9.511 1.00 0.00 H new ATOM 472 N PHE A 30 3.926 -6.929 6.203 1.00 0.00 N ATOM 473 CA PHE A 30 2.761 -7.206 5.368 1.00 0.00 C ATOM 474 C PHE A 30 1.468 -6.828 6.081 1.00 0.00 C ATOM 475 O PHE A 30 1.480 -6.403 7.236 1.00 0.00 O ATOM 476 CB PHE A 30 2.703 -8.692 4.996 1.00 0.00 C ATOM 477 CG PHE A 30 2.490 -9.604 6.175 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.214 -9.835 6.665 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.562 -10.229 6.792 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.009 -10.671 7.744 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.363 -11.067 7.874 1.00 0.00 C ATOM 482 CZ PHE A 30 2.084 -11.287 8.350 1.00 0.00 C ATOM 0 H PHE A 30 3.706 -6.745 7.182 1.00 0.00 H new ATOM 0 HA PHE A 30 2.861 -6.604 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.897 -8.846 4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.632 -8.969 4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.368 -9.354 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.563 -10.060 6.424 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.009 -10.842 8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.206 -11.549 8.347 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.927 -11.940 9.195 1.00 0.00 H new ATOM 492 N LEU A 31 0.356 -7.004 5.377 1.00 0.00 N ATOM 493 CA LEU A 31 -0.961 -6.710 5.920 1.00 0.00 C ATOM 494 C LEU A 31 -2.040 -7.356 5.057 1.00 0.00 C ATOM 495 O LEU A 31 -1.807 -7.664 3.888 1.00 0.00 O ATOM 496 CB LEU A 31 -1.185 -5.202 5.994 1.00 0.00 C ATOM 497 CG LEU A 31 -0.942 -4.570 7.366 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.014 -3.053 7.272 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.949 -5.091 8.379 1.00 0.00 C ATOM 0 H LEU A 31 0.343 -7.353 4.419 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.019 -7.120 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.531 -4.718 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.210 -4.988 5.691 1.00 0.00 H new ATOM 0 HG LEU A 31 0.057 -4.847 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.839 -2.619 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.254 -2.695 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.000 -2.757 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.761 -4.631 9.349 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.958 -4.843 8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.851 -6.173 8.466 1.00 0.00 H new ATOM 511 N THR A 32 -3.218 -7.561 5.635 1.00 0.00 N ATOM 512 CA THR A 32 -4.315 -8.173 4.897 1.00 0.00 C ATOM 513 C THR A 32 -5.200 -7.108 4.255 1.00 0.00 C ATOM 514 O THR A 32 -5.332 -6.004 4.779 1.00 0.00 O ATOM 515 CB THR A 32 -5.172 -9.072 5.807 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.767 -8.291 6.849 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.327 -10.181 6.419 1.00 0.00 C ATOM 0 H THR A 32 -3.436 -7.316 6.601 1.00 0.00 H new ATOM 0 HA THR A 32 -3.872 -8.790 4.115 1.00 0.00 H new ATOM 0 HB THR A 32 -5.956 -9.524 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.165 -8.264 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.952 -10.804 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.898 -10.792 5.625 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.525 -9.742 7.013 1.00 0.00 H new ATOM 525 N LYS A 33 -5.806 -7.455 3.122 1.00 0.00 N ATOM 526 CA LYS A 33 -6.667 -6.508 2.411 1.00 0.00 C ATOM 527 C LYS A 33 -7.708 -5.901 3.343 1.00 0.00 C ATOM 528 O LYS A 33 -7.999 -4.707 3.269 1.00 0.00 O ATOM 529 CB LYS A 33 -7.368 -7.223 1.254 1.00 0.00 C ATOM 530 CG LYS A 33 -7.820 -6.301 0.127 1.00 0.00 C ATOM 531 CD LYS A 33 -9.086 -5.540 0.489 1.00 0.00 C ATOM 532 CE LYS A 33 -9.658 -4.798 -0.711 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.943 -4.121 -0.386 1.00 0.00 N ATOM 0 H LYS A 33 -5.720 -8.370 2.680 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.043 -5.701 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.693 -7.974 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.237 -7.754 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.024 -5.593 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.995 -6.888 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.831 -6.235 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.868 -4.830 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.936 -4.059 -1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.815 -5.500 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.607 -4.239 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.350 -4.543 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.771 -3.108 -0.226 1.00 0.00 H new ATOM 547 N GLU A 34 -8.260 -6.725 4.220 1.00 0.00 N ATOM 548 CA GLU A 34 -9.267 -6.252 5.160 1.00 0.00 C ATOM 549 C GLU A 34 -8.683 -5.209 6.112 1.00 0.00 C ATOM 550 O GLU A 34 -9.359 -4.250 6.485 1.00 0.00 O ATOM 551 CB GLU A 34 -9.842 -7.426 5.954 1.00 0.00 C ATOM 552 CG GLU A 34 -8.794 -8.213 6.724 1.00 0.00 C ATOM 553 CD GLU A 34 -9.389 -9.372 7.500 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.486 -10.479 6.931 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.757 -9.171 8.677 1.00 0.00 O ATOM 0 H GLU A 34 -8.031 -7.716 4.301 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.068 -5.782 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.588 -7.049 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.358 -8.099 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.046 -8.592 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.278 -7.545 7.414 1.00 0.00 H new ATOM 562 N GLU A 35 -7.426 -5.402 6.500 1.00 0.00 N ATOM 563 CA GLU A 35 -6.759 -4.478 7.412 1.00 0.00 C ATOM 564 C GLU A 35 -6.418 -3.166 6.715 1.00 0.00 C ATOM 565 O GLU A 35 -6.544 -2.090 7.299 1.00 0.00 O ATOM 566 CB GLU A 35 -5.492 -5.113 7.990 1.00 0.00 C ATOM 567 CG GLU A 35 -5.774 -6.218 8.996 1.00 0.00 C ATOM 568 CD GLU A 35 -4.507 -6.847 9.541 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.993 -6.353 10.566 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.030 -7.835 8.944 1.00 0.00 O ATOM 0 H GLU A 35 -6.850 -6.188 6.198 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.448 -4.261 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.894 -5.519 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.893 -4.339 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.358 -5.812 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.383 -6.988 8.523 1.00 0.00 H new ATOM 577 N LEU A 36 -5.983 -3.265 5.464 1.00 0.00 N ATOM 578 CA LEU A 36 -5.628 -2.075 4.703 1.00 0.00 C ATOM 579 C LEU A 36 -6.790 -1.091 4.642 1.00 0.00 C ATOM 580 O LEU A 36 -6.581 0.116 4.566 1.00 0.00 O ATOM 581 CB LEU A 36 -5.200 -2.461 3.292 1.00 0.00 C ATOM 582 CG LEU A 36 -4.173 -3.588 3.210 1.00 0.00 C ATOM 583 CD1 LEU A 36 -3.779 -3.866 1.768 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.944 -3.252 4.038 1.00 0.00 C ATOM 0 H LEU A 36 -5.869 -4.145 4.961 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.796 -1.588 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.085 -2.756 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.789 -1.579 2.800 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.632 -4.489 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.047 -4.673 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.662 -4.157 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.345 -2.967 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.224 -4.067 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.492 -2.334 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.234 -3.114 5.080 1.00 0.00 H new ATOM 596 N LEU A 37 -8.011 -1.615 4.660 1.00 0.00 N ATOM 597 CA LEU A 37 -9.204 -0.774 4.614 1.00 0.00 C ATOM 598 C LEU A 37 -9.106 0.358 5.632 1.00 0.00 C ATOM 599 O LEU A 37 -9.414 1.511 5.329 1.00 0.00 O ATOM 600 CB LEU A 37 -10.456 -1.612 4.888 1.00 0.00 C ATOM 601 CG LEU A 37 -10.723 -2.733 3.880 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.919 -3.566 4.316 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.953 -2.157 2.491 1.00 0.00 C ATOM 0 H LEU A 37 -8.201 -2.616 4.706 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.276 -0.341 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.369 -2.052 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.321 -0.949 4.907 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.847 -3.380 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.095 -4.358 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.718 -4.008 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.802 -2.930 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.141 -2.968 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.813 -1.488 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.069 -1.602 2.177 1.00 0.00 H new ATOM 615 N GLN A 38 -8.671 0.016 6.842 1.00 0.00 N ATOM 616 CA GLN A 38 -8.526 1.015 7.894 1.00 0.00 C ATOM 617 C GLN A 38 -7.299 1.876 7.615 1.00 0.00 C ATOM 618 O GLN A 38 -7.317 3.092 7.794 1.00 0.00 O ATOM 619 CB GLN A 38 -8.394 0.332 9.256 1.00 0.00 C ATOM 620 CG GLN A 38 -8.871 1.184 10.422 1.00 0.00 C ATOM 621 CD GLN A 38 -8.065 2.456 10.598 1.00 0.00 C ATOM 622 OE1 GLN A 38 -7.040 2.465 11.280 1.00 0.00 O ATOM 623 NE2 GLN A 38 -8.535 3.543 9.997 1.00 0.00 N ATOM 0 H GLN A 38 -8.416 -0.933 7.115 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.412 1.650 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.963 -0.598 9.242 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.350 0.065 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.919 1.443 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.817 0.597 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.389 3.490 9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.042 4.431 10.091 1.00 0.00 H new ATOM 632 N ARG A 39 -6.238 1.217 7.167 1.00 0.00 N ATOM 633 CA ARG A 39 -4.987 1.888 6.844 1.00 0.00 C ATOM 634 C ARG A 39 -5.221 3.045 5.881 1.00 0.00 C ATOM 635 O ARG A 39 -4.728 4.153 6.089 1.00 0.00 O ATOM 636 CB ARG A 39 -4.028 0.887 6.211 1.00 0.00 C ATOM 637 CG ARG A 39 -3.778 -0.336 7.069 1.00 0.00 C ATOM 638 CD ARG A 39 -2.880 -0.013 8.250 1.00 0.00 C ATOM 639 NE ARG A 39 -2.780 -1.131 9.185 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.060 -1.096 10.302 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.379 -0.004 10.623 1.00 0.00 N ATOM 642 NH2 ARG A 39 -2.019 -2.154 11.100 1.00 0.00 N ATOM 0 H ARG A 39 -6.221 0.208 7.018 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.560 2.287 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.430 0.570 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.077 1.382 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.728 -0.729 7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.319 -1.118 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.885 0.247 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.268 0.862 8.772 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.291 -1.987 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.407 0.812 10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.828 0.019 11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.540 -2.996 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.466 -2.126 11.957 1.00 0.00 H new ATOM 656 N CYS A 40 -5.973 2.769 4.824 1.00 0.00 N ATOM 657 CA CYS A 40 -6.286 3.777 3.815 1.00 0.00 C ATOM 658 C CYS A 40 -6.918 5.008 4.454 1.00 0.00 C ATOM 659 O CYS A 40 -6.729 6.129 3.983 1.00 0.00 O ATOM 660 CB CYS A 40 -7.223 3.198 2.753 1.00 0.00 C ATOM 661 SG CYS A 40 -7.652 4.362 1.436 1.00 0.00 S ATOM 0 H CYS A 40 -6.380 1.852 4.641 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.353 4.077 3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.754 2.320 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.139 2.859 3.237 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.459 5.578 1.852 1.00 0.00 H new ATOM 667 N ALA A 41 -7.670 4.791 5.530 1.00 0.00 N ATOM 668 CA ALA A 41 -8.323 5.889 6.234 1.00 0.00 C ATOM 669 C ALA A 41 -7.298 6.807 6.894 1.00 0.00 C ATOM 670 O ALA A 41 -7.659 7.795 7.533 1.00 0.00 O ATOM 671 CB ALA A 41 -9.298 5.353 7.270 1.00 0.00 C ATOM 0 H ALA A 41 -7.841 3.869 5.931 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.878 6.474 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.776 6.186 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.058 4.748 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.760 4.740 7.993 1.00 0.00 H new ATOM 677 N GLN A 42 -6.021 6.474 6.734 1.00 0.00 N ATOM 678 CA GLN A 42 -4.978 7.302 7.322 1.00 0.00 C ATOM 679 C GLN A 42 -4.396 8.210 6.248 1.00 0.00 C ATOM 680 O GLN A 42 -3.911 9.306 6.528 1.00 0.00 O ATOM 681 CB GLN A 42 -3.877 6.431 7.933 1.00 0.00 C ATOM 682 CG GLN A 42 -2.760 7.228 8.586 1.00 0.00 C ATOM 683 CD GLN A 42 -1.685 6.343 9.185 1.00 0.00 C ATOM 684 OE1 GLN A 42 -0.714 5.987 8.518 1.00 0.00 O ATOM 685 NE2 GLN A 42 -1.855 5.982 10.452 1.00 0.00 N ATOM 0 H GLN A 42 -5.691 5.659 6.217 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.410 7.908 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.321 5.768 8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.452 5.798 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.310 7.889 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.180 7.862 9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.676 6.301 10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.165 5.386 10.910 1.00 0.00 H new ATOM 694 N LYS A 43 -4.458 7.727 5.011 1.00 0.00 N ATOM 695 CA LYS A 43 -3.959 8.462 3.858 1.00 0.00 C ATOM 696 C LYS A 43 -4.645 9.816 3.752 1.00 0.00 C ATOM 697 O LYS A 43 -3.991 10.851 3.627 1.00 0.00 O ATOM 698 CB LYS A 43 -4.214 7.656 2.586 1.00 0.00 C ATOM 699 CG LYS A 43 -3.300 8.036 1.435 1.00 0.00 C ATOM 700 CD LYS A 43 -2.053 7.161 1.396 1.00 0.00 C ATOM 701 CE LYS A 43 -1.281 7.195 2.710 1.00 0.00 C ATOM 702 NZ LYS A 43 -0.039 6.379 2.652 1.00 0.00 N ATOM 0 H LYS A 43 -4.855 6.816 4.782 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.888 8.621 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.087 6.596 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.250 7.796 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.841 7.941 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.008 9.082 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.340 6.133 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.403 7.494 0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.025 8.226 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.919 6.827 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.158 5.979 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.163 5.607 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.757 6.979 2.357 1.00 0.00 H new ATOM 885 N PRO A 56 -9.516 -4.528 -5.468 1.00 0.00 N ATOM 886 CA PRO A 56 -9.069 -5.852 -5.917 1.00 0.00 C ATOM 887 C PRO A 56 -7.934 -5.767 -6.939 1.00 0.00 C ATOM 888 O PRO A 56 -7.295 -6.770 -7.257 1.00 0.00 O ATOM 889 CB PRO A 56 -10.321 -6.450 -6.557 1.00 0.00 C ATOM 890 CG PRO A 56 -11.451 -5.803 -5.836 1.00 0.00 C ATOM 891 CD PRO A 56 -10.990 -4.410 -5.504 1.00 0.00 C ATOM 0 HA PRO A 56 -8.668 -6.447 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.360 -6.240 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.346 -7.534 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.347 -5.780 -6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.704 -6.356 -4.931 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.316 -3.691 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.388 -4.074 -4.547 1.00 0.00 H new ATOM 899 N ALA A 57 -7.696 -4.560 -7.449 1.00 0.00 N ATOM 900 CA ALA A 57 -6.637 -4.331 -8.427 1.00 0.00 C ATOM 901 C ALA A 57 -5.285 -4.801 -7.902 1.00 0.00 C ATOM 902 O ALA A 57 -4.398 -5.148 -8.681 1.00 0.00 O ATOM 903 CB ALA A 57 -6.576 -2.858 -8.797 1.00 0.00 C ATOM 0 H ALA A 57 -8.225 -3.724 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.870 -4.914 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.782 -2.699 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.530 -2.551 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.372 -2.267 -7.904 1.00 0.00 H new ATOM 909 N LEU A 58 -5.131 -4.811 -6.578 1.00 0.00 N ATOM 910 CA LEU A 58 -3.877 -5.239 -5.966 1.00 0.00 C ATOM 911 C LEU A 58 -3.479 -6.627 -6.453 1.00 0.00 C ATOM 912 O LEU A 58 -2.294 -6.928 -6.588 1.00 0.00 O ATOM 913 CB LEU A 58 -3.980 -5.205 -4.437 1.00 0.00 C ATOM 914 CG LEU A 58 -5.224 -5.863 -3.837 1.00 0.00 C ATOM 915 CD1 LEU A 58 -5.028 -7.364 -3.699 1.00 0.00 C ATOM 916 CD2 LEU A 58 -5.544 -5.239 -2.489 1.00 0.00 C ATOM 0 H LEU A 58 -5.853 -4.530 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.097 -4.541 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.098 -5.693 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.951 -4.165 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.065 -5.694 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.925 -7.810 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.840 -7.798 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.177 -7.561 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.431 -5.714 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.701 -5.382 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.729 -4.172 -2.617 1.00 0.00 H new ATOM 928 N ARG A 59 -4.473 -7.471 -6.714 1.00 0.00 N ATOM 929 CA ARG A 59 -4.192 -8.808 -7.214 1.00 0.00 C ATOM 930 C ARG A 59 -3.419 -8.706 -8.520 1.00 0.00 C ATOM 931 O ARG A 59 -2.431 -9.408 -8.732 1.00 0.00 O ATOM 932 CB ARG A 59 -5.491 -9.588 -7.429 1.00 0.00 C ATOM 933 CG ARG A 59 -6.311 -9.764 -6.162 1.00 0.00 C ATOM 934 CD ARG A 59 -7.601 -10.520 -6.434 1.00 0.00 C ATOM 935 NE ARG A 59 -7.351 -11.850 -6.981 1.00 0.00 N ATOM 936 CZ ARG A 59 -8.313 -12.676 -7.384 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.584 -12.307 -7.302 1.00 0.00 N ATOM 938 NH2 ARG A 59 -8.004 -13.870 -7.868 1.00 0.00 N ATOM 0 H ARG A 59 -5.462 -7.256 -6.590 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.592 -9.343 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.096 -9.072 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.252 -10.570 -7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.723 -10.302 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.543 -8.787 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.170 -10.610 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.215 -9.950 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.384 -12.164 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.825 -11.389 -6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.320 -12.942 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.027 -14.157 -7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.743 -14.502 -8.176 1.00 0.00 H new ATOM 952 N SER A 60 -3.887 -7.820 -9.393 1.00 0.00 N ATOM 953 CA SER A 60 -3.224 -7.606 -10.670 1.00 0.00 C ATOM 954 C SER A 60 -1.796 -7.121 -10.448 1.00 0.00 C ATOM 955 O SER A 60 -0.906 -7.392 -11.253 1.00 0.00 O ATOM 956 CB SER A 60 -3.999 -6.590 -11.511 1.00 0.00 C ATOM 957 OG SER A 60 -5.318 -7.040 -11.769 1.00 0.00 O ATOM 0 H SER A 60 -4.715 -7.244 -9.240 1.00 0.00 H new ATOM 0 HA SER A 60 -3.195 -8.554 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.033 -5.633 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.478 -6.421 -12.454 1.00 0.00 H new ATOM 0 HG SER A 60 -5.792 -6.372 -12.307 1.00 0.00 H new ATOM 963 N LEU A 61 -1.585 -6.398 -9.349 1.00 0.00 N ATOM 964 CA LEU A 61 -0.258 -5.887 -9.029 1.00 0.00 C ATOM 965 C LEU A 61 0.701 -7.027 -8.704 1.00 0.00 C ATOM 966 O LEU A 61 1.891 -6.948 -9.009 1.00 0.00 O ATOM 967 CB LEU A 61 -0.315 -4.885 -7.873 1.00 0.00 C ATOM 968 CG LEU A 61 -0.594 -3.443 -8.296 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.090 -3.189 -8.400 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.056 -2.474 -7.324 1.00 0.00 C ATOM 0 H LEU A 61 -2.309 -6.156 -8.673 1.00 0.00 H new ATOM 0 HA LEU A 61 0.117 -5.365 -9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.089 -5.201 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.633 -4.916 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.160 -3.282 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.264 -2.156 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.523 -3.862 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.557 -3.367 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.151 -1.451 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.347 -2.636 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.133 -2.639 -7.312 1.00 0.00 H new ATOM 982 N LEU A 62 0.183 -8.084 -8.077 1.00 0.00 N ATOM 983 CA LEU A 62 1.003 -9.244 -7.747 1.00 0.00 C ATOM 984 C LEU A 62 1.687 -9.735 -9.010 1.00 0.00 C ATOM 985 O LEU A 62 2.836 -10.175 -8.990 1.00 0.00 O ATOM 986 CB LEU A 62 0.137 -10.363 -7.170 1.00 0.00 C ATOM 987 CG LEU A 62 -0.651 -10.011 -5.904 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.815 -10.972 -5.724 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.253 -10.051 -4.680 1.00 0.00 C ATOM 0 H LEU A 62 -0.793 -8.158 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 62 1.746 -8.959 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.568 -10.683 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.778 -11.217 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.041 -8.999 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.366 -10.711 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.478 -10.905 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.436 -11.990 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.326 -9.798 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.670 -11.052 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.063 -9.332 -4.802 1.00 0.00 H new ATOM 1001 N HIS A 63 0.948 -9.650 -10.108 1.00 0.00 N ATOM 1002 CA HIS A 63 1.446 -10.062 -11.407 1.00 0.00 C ATOM 1003 C HIS A 63 2.575 -9.144 -11.856 1.00 0.00 C ATOM 1004 O HIS A 63 3.542 -9.590 -12.476 1.00 0.00 O ATOM 1005 CB HIS A 63 0.306 -10.038 -12.424 1.00 0.00 C ATOM 1006 CG HIS A 63 0.710 -10.487 -13.795 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.562 -11.785 -14.235 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.256 -9.802 -14.828 1.00 0.00 C ATOM 1009 CE1 HIS A 63 1.000 -11.879 -15.478 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.425 -10.690 -15.860 1.00 0.00 N ATOM 0 H HIS A 63 -0.008 -9.295 -10.121 1.00 0.00 H new ATOM 0 HA HIS A 63 1.837 -11.077 -11.334 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.502 -10.677 -12.066 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.092 -9.025 -12.486 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.511 -8.753 -14.838 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.009 -12.776 -16.079 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.816 -10.467 -16.775 1.00 0.00 H new ATOM 1019 N ARG A 64 2.447 -7.856 -11.541 1.00 0.00 N ATOM 1020 CA ARG A 64 3.468 -6.887 -11.910 1.00 0.00 C ATOM 1021 C ARG A 64 4.705 -7.058 -11.039 1.00 0.00 C ATOM 1022 O ARG A 64 5.733 -6.423 -11.274 1.00 0.00 O ATOM 1023 CB ARG A 64 2.918 -5.466 -11.770 1.00 0.00 C ATOM 1024 CG ARG A 64 1.707 -5.191 -12.646 1.00 0.00 C ATOM 1025 CD ARG A 64 2.056 -5.262 -14.124 1.00 0.00 C ATOM 1026 NE ARG A 64 0.900 -4.989 -14.973 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.960 -4.915 -16.299 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.117 -5.091 -16.925 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.136 -4.664 -17.002 1.00 0.00 N ATOM 0 H ARG A 64 1.652 -7.465 -11.035 1.00 0.00 H new ATOM 0 HA ARG A 64 3.750 -7.057 -12.949 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.649 -5.291 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.705 -4.755 -12.020 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.923 -5.915 -12.422 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.306 -4.205 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.846 -4.544 -14.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.451 -6.251 -14.356 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.005 -4.847 -14.523 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.963 -5.284 -16.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.160 -5.034 -17.942 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.027 -4.527 -16.525 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.088 -4.608 -18.019 1.00 0.00 H new ATOM 1043 N ASN A 65 4.592 -7.921 -10.028 1.00 0.00 N ATOM 1044 CA ASN A 65 5.695 -8.196 -9.117 1.00 0.00 C ATOM 1045 C ASN A 65 5.998 -6.994 -8.226 1.00 0.00 C ATOM 1046 O ASN A 65 7.125 -6.824 -7.763 1.00 0.00 O ATOM 1047 CB ASN A 65 6.946 -8.604 -9.895 1.00 0.00 C ATOM 1048 CG ASN A 65 7.814 -9.560 -9.107 1.00 0.00 C ATOM 1049 OD1 ASN A 65 9.038 -9.564 -9.239 1.00 0.00 O ATOM 1050 ND2 ASN A 65 7.177 -10.385 -8.283 1.00 0.00 N ATOM 0 H ASN A 65 3.740 -8.443 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 65 5.392 -9.023 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.653 -9.071 -10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.523 -7.714 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.704 -11.058 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.161 -10.345 -8.207 1.00 0.00 H new ATOM 1057 N LEU A 66 4.986 -6.161 -7.992 1.00 0.00 N ATOM 1058 CA LEU A 66 5.149 -4.990 -7.134 1.00 0.00 C ATOM 1059 C LEU A 66 4.703 -5.328 -5.720 1.00 0.00 C ATOM 1060 O LEU A 66 5.171 -4.739 -4.746 1.00 0.00 O ATOM 1061 CB LEU A 66 4.354 -3.798 -7.659 1.00 0.00 C ATOM 1062 CG LEU A 66 4.463 -3.531 -9.166 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.132 -2.082 -9.466 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.852 -3.866 -9.690 1.00 0.00 C ATOM 0 H LEU A 66 4.050 -6.274 -8.382 1.00 0.00 H new ATOM 0 HA LEU A 66 6.203 -4.714 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.303 -3.949 -7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.681 -2.905 -7.127 1.00 0.00 H new ATOM 0 HG LEU A 66 3.746 -4.177 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.213 -1.905 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.115 -1.866 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.830 -1.432 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.895 -3.666 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.592 -3.253 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.065 -4.920 -9.509 1.00 0.00 H new ATOM 1076 N VAL A 67 3.790 -6.284 -5.628 1.00 0.00 N ATOM 1077 CA VAL A 67 3.282 -6.753 -4.349 1.00 0.00 C ATOM 1078 C VAL A 67 3.520 -8.252 -4.231 1.00 0.00 C ATOM 1079 O VAL A 67 3.919 -8.898 -5.201 1.00 0.00 O ATOM 1080 CB VAL A 67 1.781 -6.455 -4.173 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.551 -4.977 -3.910 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.005 -6.900 -5.393 1.00 0.00 C ATOM 0 H VAL A 67 3.382 -6.755 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 67 3.817 -6.218 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 67 1.423 -7.016 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.484 -4.791 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.076 -4.683 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.928 -4.395 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.053 -6.682 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.371 -6.367 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.138 -7.972 -5.538 1.00 0.00 H new ATOM 1092 N LEU A 68 3.279 -8.807 -3.053 1.00 0.00 N ATOM 1093 CA LEU A 68 3.495 -10.232 -2.842 1.00 0.00 C ATOM 1094 C LEU A 68 2.342 -10.848 -2.062 1.00 0.00 C ATOM 1095 O LEU A 68 2.088 -10.456 -0.929 1.00 0.00 O ATOM 1096 CB LEU A 68 4.801 -10.447 -2.080 1.00 0.00 C ATOM 1097 CG LEU A 68 5.577 -11.717 -2.446 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.901 -11.763 -1.700 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.752 -12.958 -2.142 1.00 0.00 C ATOM 0 H LEU A 68 2.938 -8.300 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 68 3.552 -10.718 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.447 -9.586 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.579 -10.473 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 68 5.782 -11.697 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.440 -12.671 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.500 -10.892 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.714 -11.759 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.322 -13.848 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.514 -12.985 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.828 -12.931 -2.720 1.00 0.00 H new ATOM 1111 N ARG A 69 1.659 -11.817 -2.670 1.00 0.00 N ATOM 1112 CA ARG A 69 0.537 -12.480 -2.007 1.00 0.00 C ATOM 1113 C ARG A 69 1.025 -13.648 -1.161 1.00 0.00 C ATOM 1114 O ARG A 69 2.063 -14.243 -1.450 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.489 -12.980 -3.020 1.00 0.00 C ATOM 1116 CG ARG A 69 0.126 -13.701 -4.205 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.901 -14.559 -4.925 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.334 -15.233 -6.089 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.028 -16.044 -6.881 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.310 -16.281 -6.637 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.439 -16.621 -7.921 1.00 0.00 N ATOM 0 H ARG A 69 1.860 -12.158 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 69 0.059 -11.743 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.185 -13.652 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.071 -12.133 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.545 -12.972 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.951 -14.327 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.300 -15.302 -4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.738 -13.935 -5.240 1.00 0.00 H new ATOM 0 HE ARG A 69 0.650 -15.073 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.767 -15.840 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.839 -16.904 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.547 -16.442 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.972 -17.243 -8.528 1.00 0.00 H new ATOM 1135 N THR A 70 0.271 -13.974 -0.119 1.00 0.00 N ATOM 1136 CA THR A 70 0.661 -15.059 0.766 1.00 0.00 C ATOM 1137 C THR A 70 -0.481 -16.060 0.998 1.00 0.00 C ATOM 1138 O THR A 70 -1.545 -15.971 0.387 1.00 0.00 O ATOM 1139 CB THR A 70 1.188 -14.508 2.105 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.957 -13.327 1.860 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.070 -15.521 2.818 1.00 0.00 C ATOM 0 H THR A 70 -0.602 -13.509 0.130 1.00 0.00 H new ATOM 0 HA THR A 70 1.466 -15.603 0.272 1.00 0.00 H new ATOM 0 HB THR A 70 0.328 -14.288 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.395 -12.657 1.418 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.423 -15.098 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.496 -16.425 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.924 -15.767 2.187 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.209 -17.032 1.857 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.129 -18.116 2.194 1.00 0.00 C ATOM 1151 C HIS A 71 -2.621 -17.762 2.150 1.00 0.00 C ATOM 1152 O HIS A 71 -3.365 -18.356 1.369 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.809 -18.538 3.618 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.177 -19.886 3.735 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -0.856 -21.065 3.518 1.00 0.00 N ATOM 1156 CD2 HIS A 71 1.092 -20.234 4.051 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.032 -22.083 3.696 1.00 0.00 C ATOM 1158 NE2 HIS A 71 1.157 -21.605 4.019 1.00 0.00 N ATOM 0 H HIS A 71 0.680 -17.093 2.353 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.982 -18.889 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.143 -17.798 4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.729 -18.530 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.902 -19.559 4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.287 -23.128 3.595 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.988 -22.164 4.213 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.048 -16.785 2.957 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.478 -16.439 2.958 1.00 0.00 C ATOM 1169 C GLN A 72 -4.810 -15.401 4.042 1.00 0.00 C ATOM 1170 O GLN A 72 -4.272 -15.469 5.148 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.322 -17.699 3.201 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.817 -17.434 3.294 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.617 -18.697 3.547 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -7.859 -19.072 4.695 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.032 -19.361 2.476 1.00 0.00 N ATOM 0 H GLN A 72 -2.460 -16.242 3.589 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.711 -16.010 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.139 -18.408 2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.990 -18.174 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.007 -16.721 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.159 -16.971 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.809 -19.014 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.574 -20.218 2.586 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.701 -14.422 3.746 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.353 -14.279 2.435 1.00 0.00 C ATOM 1186 C PRO A 73 -5.322 -14.047 1.353 1.00 0.00 C ATOM 1187 O PRO A 73 -5.598 -14.193 0.162 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.255 -13.051 2.597 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.417 -12.881 4.070 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.138 -13.377 4.685 1.00 0.00 C ATOM 0 HA PRO A 73 -6.910 -15.169 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.804 -12.168 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.218 -13.202 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.594 -11.836 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.273 -13.448 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.399 -12.581 4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.300 -13.776 5.686 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.131 -13.702 1.830 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.953 -13.443 1.011 1.00 0.00 C ATOM 1200 C ALA A 74 -2.206 -12.240 1.556 1.00 0.00 C ATOM 1201 O ALA A 74 -2.490 -11.104 1.177 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.294 -13.216 -0.457 1.00 0.00 C ATOM 0 H ALA A 74 -3.954 -13.592 2.828 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.325 -14.333 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.379 -13.028 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.789 -14.101 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.958 -12.356 -0.548 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.261 -12.484 2.458 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.491 -11.389 3.031 1.00 0.00 C ATOM 1210 C ARG A 75 0.230 -10.649 1.911 1.00 0.00 C ATOM 1211 O ARG A 75 0.879 -11.268 1.072 1.00 0.00 O ATOM 1212 CB ARG A 75 0.509 -11.928 4.058 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.129 -12.820 5.113 1.00 0.00 C ATOM 1214 CD ARG A 75 0.892 -13.738 5.770 1.00 0.00 C ATOM 1215 NE ARG A 75 0.347 -14.404 6.950 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.044 -15.242 7.711 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.308 -15.518 7.416 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.477 -15.805 8.770 1.00 0.00 N ATOM 0 H ARG A 75 -1.014 -13.412 2.802 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.159 -10.697 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.285 -12.490 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.000 -11.089 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.603 -12.200 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.915 -13.420 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.222 -14.487 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.771 -13.159 6.054 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.623 -14.216 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.748 -15.087 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.840 -16.161 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.494 -15.595 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.012 -16.448 9.354 1.00 0.00 H new ATOM 1232 N TYR A 76 0.106 -9.326 1.894 1.00 0.00 N ATOM 1233 CA TYR A 76 0.743 -8.547 0.841 1.00 0.00 C ATOM 1234 C TYR A 76 1.988 -7.830 1.340 1.00 0.00 C ATOM 1235 O TYR A 76 2.032 -7.338 2.465 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.251 -7.554 0.238 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.441 -8.233 -0.402 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.295 -8.958 -1.579 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.702 -8.165 0.174 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.373 -9.593 -2.166 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.785 -8.799 -0.404 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.616 -9.510 -1.573 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.692 -10.142 -2.153 1.00 0.00 O ATOM 0 H TYR A 76 -0.417 -8.782 2.580 1.00 0.00 H new ATOM 0 HA TYR A 76 1.061 -9.241 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.600 -6.877 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.259 -6.944 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.322 -9.026 -2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.839 -7.607 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.243 -10.150 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.759 -8.738 0.058 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.494 -9.987 -1.611 1.00 0.00 H new ATOM 1253 N SER A 77 3.000 -7.783 0.482 1.00 0.00 N ATOM 1254 CA SER A 77 4.260 -7.135 0.817 1.00 0.00 C ATOM 1255 C SER A 77 4.883 -6.495 -0.418 1.00 0.00 C ATOM 1256 O SER A 77 4.791 -7.030 -1.523 1.00 0.00 O ATOM 1257 CB SER A 77 5.233 -8.140 1.436 1.00 0.00 C ATOM 1258 OG SER A 77 5.531 -9.187 0.531 1.00 0.00 O ATOM 0 H SER A 77 2.971 -8.188 -0.454 1.00 0.00 H new ATOM 0 HA SER A 77 4.054 -6.352 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.153 -7.630 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.801 -8.555 2.347 1.00 0.00 H new ATOM 0 HG SER A 77 6.156 -9.814 0.951 1.00 0.00 H new ATOM 1264 N LEU A 78 5.518 -5.348 -0.218 1.00 0.00 N ATOM 1265 CA LEU A 78 6.153 -4.620 -1.308 1.00 0.00 C ATOM 1266 C LEU A 78 7.404 -5.326 -1.816 1.00 0.00 C ATOM 1267 O LEU A 78 8.291 -5.676 -1.036 1.00 0.00 O ATOM 1268 CB LEU A 78 6.547 -3.220 -0.847 1.00 0.00 C ATOM 1269 CG LEU A 78 5.428 -2.184 -0.805 1.00 0.00 C ATOM 1270 CD1 LEU A 78 6.016 -0.815 -0.517 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.659 -2.162 -2.116 1.00 0.00 C ATOM 0 H LEU A 78 5.607 -4.900 0.694 1.00 0.00 H new ATOM 0 HA LEU A 78 5.426 -4.568 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.980 -3.297 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.331 -2.850 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 78 4.731 -2.453 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.217 -0.075 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.529 -0.834 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.725 -0.551 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.867 -1.415 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.337 -1.912 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.221 -3.143 -2.297 1.00 0.00 H new ATOM 1283 N THR A 79 7.470 -5.533 -3.126 1.00 0.00 N ATOM 1284 CA THR A 79 8.643 -6.149 -3.722 1.00 0.00 C ATOM 1285 C THR A 79 9.622 -5.042 -4.126 1.00 0.00 C ATOM 1286 O THR A 79 9.325 -3.872 -3.905 1.00 0.00 O ATOM 1287 CB THR A 79 8.242 -7.002 -4.941 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.848 -6.845 -5.206 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.548 -8.475 -4.702 1.00 0.00 C ATOM 0 H THR A 79 6.733 -5.286 -3.787 1.00 0.00 H new ATOM 0 HA THR A 79 9.122 -6.812 -3.001 1.00 0.00 H new ATOM 0 HB THR A 79 8.822 -6.661 -5.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.721 -6.570 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.255 -9.054 -5.578 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.616 -8.601 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.992 -8.826 -3.833 1.00 0.00 H new ATOM 1297 N PRO A 80 10.795 -5.363 -4.708 1.00 0.00 N ATOM 1298 CA PRO A 80 11.771 -4.340 -5.108 1.00 0.00 C ATOM 1299 C PRO A 80 11.147 -3.142 -5.816 1.00 0.00 C ATOM 1300 O PRO A 80 11.426 -1.996 -5.465 1.00 0.00 O ATOM 1301 CB PRO A 80 12.671 -5.105 -6.071 1.00 0.00 C ATOM 1302 CG PRO A 80 12.676 -6.494 -5.538 1.00 0.00 C ATOM 1303 CD PRO A 80 11.294 -6.727 -4.984 1.00 0.00 C ATOM 0 HA PRO A 80 12.277 -3.908 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.285 -5.070 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.676 -4.684 -6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.909 -7.213 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.433 -6.612 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.658 -7.249 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.322 -7.334 -4.079 1.00 0.00 H new ATOM 1311 N GLU A 81 10.306 -3.404 -6.807 1.00 0.00 N ATOM 1312 CA GLU A 81 9.666 -2.329 -7.552 1.00 0.00 C ATOM 1313 C GLU A 81 8.667 -1.565 -6.686 1.00 0.00 C ATOM 1314 O GLU A 81 8.666 -0.336 -6.675 1.00 0.00 O ATOM 1315 CB GLU A 81 8.966 -2.885 -8.790 1.00 0.00 C ATOM 1316 CG GLU A 81 9.899 -3.602 -9.749 1.00 0.00 C ATOM 1317 CD GLU A 81 9.195 -4.069 -11.008 1.00 0.00 C ATOM 1318 OE1 GLU A 81 9.154 -3.295 -11.987 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.685 -5.209 -11.015 1.00 0.00 O ATOM 0 H GLU A 81 10.052 -4.344 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 81 10.445 -1.632 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.183 -3.575 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.476 -2.067 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.717 -2.935 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.342 -4.461 -9.245 1.00 0.00 H new ATOM 1326 N GLY A 82 7.815 -2.290 -5.969 1.00 0.00 N ATOM 1327 CA GLY A 82 6.845 -1.620 -5.121 1.00 0.00 C ATOM 1328 C GLY A 82 7.508 -0.851 -4.002 1.00 0.00 C ATOM 1329 O GLY A 82 6.945 0.107 -3.481 1.00 0.00 O ATOM 0 H GLY A 82 7.777 -3.309 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.246 -0.938 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.162 -2.357 -4.699 1.00 0.00 H new ATOM 1333 N LEU A 83 8.709 -1.278 -3.634 1.00 0.00 N ATOM 1334 CA LEU A 83 9.459 -0.631 -2.571 1.00 0.00 C ATOM 1335 C LEU A 83 9.935 0.738 -3.022 1.00 0.00 C ATOM 1336 O LEU A 83 9.721 1.739 -2.338 1.00 0.00 O ATOM 1337 CB LEU A 83 10.659 -1.491 -2.170 1.00 0.00 C ATOM 1338 CG LEU A 83 10.834 -1.709 -0.663 1.00 0.00 C ATOM 1339 CD1 LEU A 83 11.066 -0.389 0.053 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.621 -2.415 -0.084 1.00 0.00 C ATOM 0 H LEU A 83 9.184 -2.074 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 83 8.804 -0.512 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.565 -2.464 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.565 -1.027 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 83 11.711 -2.339 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.187 -0.571 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.966 0.084 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.211 0.268 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.762 -2.562 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.732 -1.808 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.497 -3.383 -0.570 1.00 0.00 H new ATOM 1352 N GLU A 84 10.577 0.776 -4.184 1.00 0.00 N ATOM 1353 CA GLU A 84 11.080 2.037 -4.718 1.00 0.00 C ATOM 1354 C GLU A 84 9.931 2.932 -5.133 1.00 0.00 C ATOM 1355 O GLU A 84 9.899 4.123 -4.818 1.00 0.00 O ATOM 1356 CB GLU A 84 11.988 1.786 -5.917 1.00 0.00 C ATOM 1357 CG GLU A 84 11.377 0.871 -6.957 1.00 0.00 C ATOM 1358 CD GLU A 84 12.235 0.740 -8.201 1.00 0.00 C ATOM 1359 OE1 GLU A 84 12.051 1.548 -9.136 1.00 0.00 O ATOM 1360 OE2 GLU A 84 13.089 -0.170 -8.240 1.00 0.00 O ATOM 0 H GLU A 84 10.760 -0.040 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 84 11.654 2.532 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.233 2.740 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.925 1.352 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.224 -0.116 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.395 1.251 -7.237 1.00 0.00 H new ATOM 1367 N LEU A 85 8.992 2.338 -5.844 1.00 0.00 N ATOM 1368 CA LEU A 85 7.828 3.067 -6.307 1.00 0.00 C ATOM 1369 C LEU A 85 7.099 3.694 -5.126 1.00 0.00 C ATOM 1370 O LEU A 85 6.749 4.873 -5.155 1.00 0.00 O ATOM 1371 CB LEU A 85 6.899 2.125 -7.080 1.00 0.00 C ATOM 1372 CG LEU A 85 5.663 2.776 -7.703 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.259 2.038 -8.971 1.00 0.00 C ATOM 1374 CD2 LEU A 85 4.509 2.784 -6.712 1.00 0.00 C ATOM 0 H LEU A 85 9.013 1.354 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 85 8.147 3.866 -6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.474 1.648 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.570 1.335 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 85 5.909 3.806 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.378 2.513 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.079 2.072 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.031 1.000 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.638 3.251 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.265 1.760 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.796 3.347 -5.824 1.00 0.00 H new ATOM 1386 N ALA A 86 6.897 2.902 -4.075 1.00 0.00 N ATOM 1387 CA ALA A 86 6.206 3.384 -2.881 1.00 0.00 C ATOM 1388 C ALA A 86 6.945 4.556 -2.252 1.00 0.00 C ATOM 1389 O ALA A 86 6.320 5.492 -1.754 1.00 0.00 O ATOM 1390 CB ALA A 86 6.036 2.264 -1.870 1.00 0.00 C ATOM 0 H ALA A 86 7.200 1.929 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 86 5.219 3.731 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.519 2.645 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.451 1.459 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.016 1.884 -1.580 1.00 0.00 H new ATOM 1396 N GLN A 87 8.275 4.504 -2.268 1.00 0.00 N ATOM 1397 CA GLN A 87 9.069 5.588 -1.707 1.00 0.00 C ATOM 1398 C GLN A 87 8.683 6.895 -2.379 1.00 0.00 C ATOM 1399 O GLN A 87 8.689 7.957 -1.758 1.00 0.00 O ATOM 1400 CB GLN A 87 10.566 5.328 -1.898 1.00 0.00 C ATOM 1401 CG GLN A 87 11.122 4.248 -0.987 1.00 0.00 C ATOM 1402 CD GLN A 87 12.612 4.038 -1.172 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.428 4.685 -0.517 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.975 3.124 -2.065 1.00 0.00 N ATOM 0 H GLN A 87 8.817 3.733 -2.658 1.00 0.00 H new ATOM 0 HA GLN A 87 8.869 5.649 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.746 5.044 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.112 6.255 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.923 4.515 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.600 3.311 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.265 2.610 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.964 2.936 -2.229 1.00 0.00 H new ATOM 1413 N LYS A 88 8.344 6.796 -3.659 1.00 0.00 N ATOM 1414 CA LYS A 88 7.941 7.964 -4.428 1.00 0.00 C ATOM 1415 C LYS A 88 6.558 8.446 -4.009 1.00 0.00 C ATOM 1416 O LYS A 88 6.364 9.623 -3.701 1.00 0.00 O ATOM 1417 CB LYS A 88 7.936 7.624 -5.913 1.00 0.00 C ATOM 1418 CG LYS A 88 9.181 6.880 -6.367 1.00 0.00 C ATOM 1419 CD LYS A 88 9.201 6.686 -7.875 1.00 0.00 C ATOM 1420 CE LYS A 88 10.395 5.853 -8.314 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.436 5.675 -9.792 1.00 0.00 N ATOM 0 H LYS A 88 8.341 5.921 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 88 8.656 8.764 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.058 7.018 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.842 8.545 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.068 7.433 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.225 5.909 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.279 6.198 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.233 7.658 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.315 6.334 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.353 4.876 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.265 5.102 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.570 5.193 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.502 6.605 -10.252 1.00 0.00 H new ATOM 1435 N LEU A 89 5.599 7.525 -4.004 1.00 0.00 N ATOM 1436 CA LEU A 89 4.236 7.855 -3.619 1.00 0.00 C ATOM 1437 C LEU A 89 4.213 8.499 -2.242 1.00 0.00 C ATOM 1438 O LEU A 89 3.300 9.253 -1.904 1.00 0.00 O ATOM 1439 CB LEU A 89 3.387 6.584 -3.616 1.00 0.00 C ATOM 1440 CG LEU A 89 2.940 6.095 -4.996 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.118 5.978 -5.950 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.222 4.758 -4.879 1.00 0.00 C ATOM 0 H LEU A 89 5.742 6.549 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 89 3.826 8.565 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.954 5.789 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.501 6.760 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 89 2.249 6.833 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.767 5.628 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.591 6.953 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.842 5.268 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.911 4.424 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.895 4.020 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.345 4.871 -4.242 1.00 0.00 H new ATOM 1454 N ALA A 90 5.232 8.190 -1.458 1.00 0.00 N ATOM 1455 CA ALA A 90 5.341 8.729 -0.109 1.00 0.00 C ATOM 1456 C ALA A 90 5.780 10.188 -0.128 1.00 0.00 C ATOM 1457 O ALA A 90 5.304 11.000 0.660 1.00 0.00 O ATOM 1458 CB ALA A 90 6.315 7.894 0.706 1.00 0.00 C ATOM 0 H ALA A 90 5.995 7.570 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 90 4.356 8.685 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.391 8.303 1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.957 6.866 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.296 7.913 0.232 1.00 0.00 H new ATOM 1464 N GLU A 91 6.684 10.511 -1.042 1.00 0.00 N ATOM 1465 CA GLU A 91 7.196 11.873 -1.157 1.00 0.00 C ATOM 1466 C GLU A 91 6.052 12.868 -1.301 1.00 0.00 C ATOM 1467 O GLU A 91 6.058 13.939 -0.693 1.00 0.00 O ATOM 1468 CB GLU A 91 8.128 12.003 -2.360 1.00 0.00 C ATOM 1469 CG GLU A 91 9.087 10.843 -2.502 1.00 0.00 C ATOM 1470 CD GLU A 91 9.993 10.975 -3.711 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.536 10.668 -4.831 1.00 0.00 O ATOM 1472 OE2 GLU A 91 11.158 11.388 -3.536 1.00 0.00 O ATOM 0 H GLU A 91 7.078 9.852 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 91 7.753 12.094 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.529 12.084 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.698 12.928 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.698 10.770 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.520 9.915 -2.578 1.00 0.00 H new ATOM 1479 N SER A 92 5.072 12.498 -2.114 1.00 0.00 N ATOM 1480 CA SER A 92 3.923 13.356 -2.364 1.00 0.00 C ATOM 1481 C SER A 92 2.948 13.376 -1.186 1.00 0.00 C ATOM 1482 O SER A 92 2.337 14.406 -0.899 1.00 0.00 O ATOM 1483 CB SER A 92 3.206 12.886 -3.627 1.00 0.00 C ATOM 1484 OG SER A 92 2.098 13.717 -3.928 1.00 0.00 O ATOM 0 H SER A 92 5.050 11.608 -2.612 1.00 0.00 H new ATOM 0 HA SER A 92 4.289 14.374 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.903 12.887 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.868 11.858 -3.495 1.00 0.00 H new ATOM 0 HG SER A 92 1.658 13.394 -4.742 1.00 0.00 H new ATOM 1490 N GLU A 93 2.801 12.242 -0.505 1.00 0.00 N ATOM 1491 CA GLU A 93 1.889 12.154 0.621 1.00 0.00 C ATOM 1492 C GLU A 93 2.475 12.863 1.839 1.00 0.00 C ATOM 1493 O GLU A 93 1.800 13.061 2.848 1.00 0.00 O ATOM 1494 CB GLU A 93 1.612 10.678 0.915 1.00 0.00 C ATOM 1495 CG GLU A 93 1.015 10.419 2.280 1.00 0.00 C ATOM 1496 CD GLU A 93 -0.365 11.029 2.446 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -1.315 10.525 1.813 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.495 12.008 3.211 1.00 0.00 O ATOM 0 H GLU A 93 3.301 11.378 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 93 0.950 12.651 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.935 10.289 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.544 10.120 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.954 9.343 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.679 10.822 3.044 1.00 0.00 H new ATOM 1505 N GLY A 94 3.734 13.265 1.722 1.00 0.00 N ATOM 1506 CA GLY A 94 4.377 13.931 2.833 1.00 0.00 C ATOM 1507 C GLY A 94 5.069 12.935 3.730 1.00 0.00 C ATOM 1508 O GLY A 94 5.398 13.237 4.879 1.00 0.00 O ATOM 0 H GLY A 94 4.312 13.144 0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.102 14.654 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.636 14.489 3.406 1.00 0.00 H new ATOM 1512 N LEU A 95 5.285 11.738 3.184 1.00 0.00 N ATOM 1513 CA LEU A 95 5.938 10.649 3.901 1.00 0.00 C ATOM 1514 C LEU A 95 5.459 10.585 5.345 1.00 0.00 C ATOM 1515 O LEU A 95 6.219 10.254 6.256 1.00 0.00 O ATOM 1516 CB LEU A 95 7.463 10.782 3.826 1.00 0.00 C ATOM 1517 CG LEU A 95 8.058 12.053 4.438 1.00 0.00 C ATOM 1518 CD1 LEU A 95 9.431 11.764 5.027 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.157 13.150 3.389 1.00 0.00 C ATOM 0 H LEU A 95 5.011 11.499 2.231 1.00 0.00 H new ATOM 0 HA LEU A 95 5.662 9.711 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.908 9.920 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.761 10.733 2.779 1.00 0.00 H new ATOM 0 HG LEU A 95 7.399 12.393 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.841 12.677 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.341 11.004 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.095 11.403 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.582 14.047 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.797 12.816 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.163 13.374 3.002 1.00 0.00 H new ATOM 1531 N SER A 96 4.180 10.892 5.533 1.00 0.00 N ATOM 1532 CA SER A 96 3.568 10.871 6.852 1.00 0.00 C ATOM 1533 C SER A 96 3.050 9.475 7.174 1.00 0.00 C ATOM 1534 O SER A 96 1.969 9.314 7.741 1.00 0.00 O ATOM 1535 CB SER A 96 2.425 11.887 6.910 1.00 0.00 C ATOM 1536 OG SER A 96 2.918 13.214 6.840 1.00 0.00 O ATOM 0 H SER A 96 3.545 11.160 4.781 1.00 0.00 H new ATOM 0 HA SER A 96 4.320 11.140 7.594 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.734 11.709 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.862 11.753 7.834 1.00 0.00 H new ATOM 0 HG SER A 96 3.670 13.251 6.213 1.00 0.00 H new ATOM 1542 N LEU A 97 3.842 8.471 6.819 1.00 0.00 N ATOM 1543 CA LEU A 97 3.458 7.090 7.068 1.00 0.00 C ATOM 1544 C LEU A 97 4.272 6.514 8.219 1.00 0.00 C ATOM 1545 O LEU A 97 3.751 6.283 9.311 1.00 0.00 O ATOM 1546 CB LEU A 97 3.671 6.239 5.814 1.00 0.00 C ATOM 1547 CG LEU A 97 3.000 6.760 4.541 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.804 7.901 3.928 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.828 5.631 3.540 1.00 0.00 C ATOM 0 H LEU A 97 4.746 8.587 6.362 1.00 0.00 H new ATOM 0 HA LEU A 97 2.401 7.073 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.742 6.155 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.302 5.233 6.012 1.00 0.00 H new ATOM 0 HG LEU A 97 2.016 7.147 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.306 8.253 3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.878 8.720 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.804 7.547 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.350 6.014 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.804 5.218 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.206 4.849 3.977 1.00 0.00 H new