USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 701 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 53 SER OG : rot -160:sc= -0.0562 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -52:sc= 0.142 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 157:sc= -0.0501 (180deg=-0.665) USER MOD Single : A 66 GLN : amide:sc= -1.01 X(o=-1,f=-0.55) USER MOD Single : A 70 SER OG : rot -152:sc= 1.24 USER MOD Single : A 71 THR OG1 : rot -5:sc= 0.35 USER MOD Single : A 102 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.269 -10.382 6.694 1.00 52.11 N ATOM 42 CA LEU A 4 -11.191 -9.668 5.440 1.00 31.42 C ATOM 43 C LEU A 4 -10.140 -10.214 4.449 1.00 61.20 C ATOM 44 O LEU A 4 -9.145 -10.818 4.856 1.00 35.15 O ATOM 45 CB LEU A 4 -11.404 -8.152 5.635 1.00 62.31 C ATOM 46 CG LEU A 4 -10.699 -7.428 6.783 1.00 42.30 C ATOM 47 CD1 LEU A 4 -11.457 -7.417 8.116 1.00 2.31 C ATOM 48 CD2 LEU A 4 -9.356 -8.092 6.939 1.00 75.10 C ATOM 0 HA LEU A 4 -12.054 -9.906 4.818 1.00 31.42 H new ATOM 0 HB2 LEU A 4 -11.107 -7.660 4.709 1.00 62.31 H new ATOM 0 HB3 LEU A 4 -12.475 -7.987 5.755 1.00 62.31 H new ATOM 0 HG LEU A 4 -10.625 -6.372 6.524 1.00 42.30 H new ATOM 0 HD11 LEU A 4 -10.872 -6.880 8.863 1.00 2.31 H new ATOM 0 HD12 LEU A 4 -12.419 -6.922 7.983 1.00 2.31 H new ATOM 0 HD13 LEU A 4 -11.619 -8.442 8.451 1.00 2.31 H new ATOM 0 HD21 LEU A 4 -8.805 -7.614 7.749 1.00 75.10 H new ATOM 0 HD22 LEU A 4 -9.497 -9.148 7.170 1.00 75.10 H new ATOM 0 HD23 LEU A 4 -8.793 -7.996 6.011 1.00 75.10 H new ATOM 59 N SER A 5 -10.356 -10.006 3.151 1.00 34.52 N ATOM 60 CA SER A 5 -9.469 -10.401 2.055 1.00 42.32 C ATOM 61 C SER A 5 -8.965 -9.140 1.343 1.00 21.54 C ATOM 62 O SER A 5 -9.480 -8.052 1.602 1.00 21.33 O ATOM 63 CB SER A 5 -10.233 -11.336 1.107 1.00 75.13 C ATOM 64 OG SER A 5 -10.638 -12.527 1.760 1.00 43.20 O ATOM 0 H SER A 5 -11.196 -9.534 2.817 1.00 34.52 H new ATOM 0 HA SER A 5 -8.600 -10.943 2.429 1.00 42.32 H new ATOM 0 HB2 SER A 5 -11.109 -10.820 0.715 1.00 75.13 H new ATOM 0 HB3 SER A 5 -9.601 -11.585 0.254 1.00 75.13 H new ATOM 0 HG SER A 5 -11.123 -13.098 1.128 1.00 43.20 H new ATOM 69 N THR A 6 -7.965 -9.270 0.470 1.00 54.03 N ATOM 70 CA THR A 6 -7.257 -8.156 -0.149 1.00 40.14 C ATOM 71 C THR A 6 -8.198 -7.094 -0.728 1.00 0.25 C ATOM 72 O THR A 6 -8.023 -5.909 -0.439 1.00 44.24 O ATOM 73 CB THR A 6 -6.254 -8.681 -1.193 1.00 43.32 C ATOM 74 OG1 THR A 6 -5.581 -9.847 -0.749 1.00 55.13 O ATOM 75 CG2 THR A 6 -5.245 -7.600 -1.561 1.00 55.44 C ATOM 0 H THR A 6 -7.618 -10.180 0.168 1.00 54.03 H new ATOM 0 HA THR A 6 -6.700 -7.644 0.635 1.00 40.14 H new ATOM 0 HB THR A 6 -6.828 -8.950 -2.079 1.00 43.32 H new ATOM 0 HG1 THR A 6 -5.198 -9.686 0.139 1.00 55.13 H new ATOM 0 HG21 THR A 6 -4.546 -7.991 -2.300 1.00 55.44 H new ATOM 0 HG22 THR A 6 -5.769 -6.740 -1.978 1.00 55.44 H new ATOM 0 HG23 THR A 6 -4.698 -7.294 -0.669 1.00 55.44 H new ATOM 83 N ASP A 7 -9.189 -7.491 -1.532 1.00 61.10 N ATOM 84 CA ASP A 7 -10.112 -6.552 -2.165 1.00 53.33 C ATOM 85 C ASP A 7 -10.964 -5.836 -1.116 1.00 63.21 C ATOM 86 O ASP A 7 -11.264 -4.652 -1.279 1.00 4.01 O ATOM 87 CB ASP A 7 -11.002 -7.244 -3.203 1.00 14.43 C ATOM 88 CG ASP A 7 -12.204 -7.972 -2.604 1.00 74.34 C ATOM 89 OD1 ASP A 7 -12.006 -8.859 -1.755 1.00 72.43 O ATOM 90 OD2 ASP A 7 -13.346 -7.656 -3.026 1.00 73.44 O ATOM 0 H ASP A 7 -9.371 -8.468 -1.760 1.00 61.10 H new ATOM 0 HA ASP A 7 -9.511 -5.809 -2.689 1.00 53.33 H new ATOM 0 HB2 ASP A 7 -11.359 -6.500 -3.915 1.00 14.43 H new ATOM 0 HB3 ASP A 7 -10.400 -7.959 -3.764 1.00 14.43 H new ATOM 94 N ILE A 8 -11.310 -6.533 -0.033 1.00 60.31 N ATOM 95 CA ILE A 8 -12.112 -6.036 1.072 1.00 41.30 C ATOM 96 C ILE A 8 -11.318 -4.970 1.821 1.00 60.52 C ATOM 97 O ILE A 8 -11.858 -3.910 2.141 1.00 52.31 O ATOM 98 CB ILE A 8 -12.557 -7.166 2.013 1.00 3.22 C ATOM 99 CG1 ILE A 8 -13.085 -8.397 1.272 1.00 44.31 C ATOM 100 CG2 ILE A 8 -13.622 -6.650 2.991 1.00 72.54 C ATOM 101 CD1 ILE A 8 -14.234 -8.144 0.298 1.00 34.15 C ATOM 0 H ILE A 8 -11.023 -7.503 0.098 1.00 60.31 H new ATOM 0 HA ILE A 8 -13.025 -5.594 0.672 1.00 41.30 H new ATOM 0 HB ILE A 8 -11.668 -7.483 2.558 1.00 3.22 H new ATOM 0 HG12 ILE A 8 -12.260 -8.848 0.721 1.00 44.31 H new ATOM 0 HG13 ILE A 8 -13.414 -9.129 2.010 1.00 44.31 H new ATOM 0 HG21 ILE A 8 -13.930 -7.459 3.653 1.00 72.54 H new ATOM 0 HG22 ILE A 8 -13.207 -5.834 3.583 1.00 72.54 H new ATOM 0 HG23 ILE A 8 -14.486 -6.290 2.432 1.00 72.54 H new ATOM 0 HD11 ILE A 8 -14.528 -9.084 -0.170 1.00 34.15 H new ATOM 0 HD12 ILE A 8 -15.084 -7.726 0.838 1.00 34.15 H new ATOM 0 HD13 ILE A 8 -13.912 -7.441 -0.470 1.00 34.15 H new ATOM 112 N TRP A 9 -10.037 -5.230 2.117 1.00 33.52 N ATOM 113 CA TRP A 9 -9.201 -4.283 2.838 1.00 4.35 C ATOM 114 C TRP A 9 -9.183 -2.971 2.064 1.00 41.30 C ATOM 115 O TRP A 9 -9.552 -1.927 2.603 1.00 14.21 O ATOM 116 CB TRP A 9 -7.757 -4.745 2.993 1.00 62.42 C ATOM 117 CG TRP A 9 -7.453 -6.145 3.370 1.00 63.50 C ATOM 118 CD1 TRP A 9 -8.199 -6.945 4.145 1.00 11.31 C ATOM 119 CD2 TRP A 9 -6.282 -6.920 3.008 1.00 31.22 C ATOM 120 NE1 TRP A 9 -7.598 -8.188 4.247 1.00 34.43 N ATOM 121 CE2 TRP A 9 -6.430 -8.237 3.528 1.00 3.33 C ATOM 122 CE3 TRP A 9 -5.131 -6.635 2.249 1.00 40.43 C ATOM 123 CZ2 TRP A 9 -5.518 -9.257 3.246 1.00 35.55 C ATOM 124 CZ3 TRP A 9 -4.182 -7.643 1.999 1.00 2.13 C ATOM 125 CH2 TRP A 9 -4.392 -8.952 2.466 1.00 73.52 C ATOM 0 H TRP A 9 -9.562 -6.096 1.863 1.00 33.52 H new ATOM 0 HA TRP A 9 -9.627 -4.180 3.836 1.00 4.35 H new ATOM 0 HB2 TRP A 9 -7.253 -4.550 2.046 1.00 62.42 H new ATOM 0 HB3 TRP A 9 -7.292 -4.102 3.740 1.00 62.42 H new ATOM 0 HD1 TRP A 9 -9.128 -6.663 4.618 1.00 11.31 H new ATOM 0 HE1 TRP A 9 -7.975 -8.967 4.787 1.00 34.43 H new ATOM 0 HE3 TRP A 9 -4.976 -5.640 1.858 1.00 40.43 H new ATOM 0 HZ2 TRP A 9 -5.676 -10.258 3.620 1.00 35.55 H new ATOM 0 HZ3 TRP A 9 -3.285 -7.409 1.444 1.00 2.13 H new ATOM 0 HH2 TRP A 9 -3.682 -9.728 2.223 1.00 73.52 H new ATOM 135 N VAL A 10 -8.785 -3.049 0.787 1.00 62.52 N ATOM 136 CA VAL A 10 -8.611 -1.913 -0.096 1.00 15.13 C ATOM 137 C VAL A 10 -9.927 -1.154 -0.218 1.00 72.50 C ATOM 138 O VAL A 10 -9.903 0.072 -0.131 1.00 2.11 O ATOM 139 CB VAL A 10 -8.032 -2.384 -1.445 1.00 14.03 C ATOM 140 CG1 VAL A 10 -7.937 -1.255 -2.483 1.00 13.24 C ATOM 141 CG2 VAL A 10 -6.611 -2.942 -1.251 1.00 14.33 C ATOM 0 H VAL A 10 -8.571 -3.939 0.336 1.00 62.52 H new ATOM 0 HA VAL A 10 -7.887 -1.209 0.316 1.00 15.13 H new ATOM 0 HB VAL A 10 -8.719 -3.147 -1.812 1.00 14.03 H new ATOM 0 HG11 VAL A 10 -7.522 -1.648 -3.411 1.00 13.24 H new ATOM 0 HG12 VAL A 10 -8.931 -0.850 -2.672 1.00 13.24 H new ATOM 0 HG13 VAL A 10 -7.290 -0.465 -2.103 1.00 13.24 H new ATOM 0 HG21 VAL A 10 -6.215 -3.271 -2.212 1.00 14.33 H new ATOM 0 HG22 VAL A 10 -5.968 -2.164 -0.840 1.00 14.33 H new ATOM 0 HG23 VAL A 10 -6.643 -3.787 -0.563 1.00 14.33 H new ATOM 151 N ALA A 11 -11.063 -1.851 -0.349 1.00 20.13 N ATOM 152 CA ALA A 11 -12.360 -1.204 -0.492 1.00 33.43 C ATOM 153 C ALA A 11 -12.604 -0.202 0.646 1.00 24.32 C ATOM 154 O ALA A 11 -12.853 0.979 0.388 1.00 0.11 O ATOM 155 CB ALA A 11 -13.477 -2.258 -0.563 1.00 44.02 C ATOM 0 H ALA A 11 -11.102 -2.870 -0.358 1.00 20.13 H new ATOM 0 HA ALA A 11 -12.366 -0.642 -1.426 1.00 33.43 H new ATOM 0 HB1 ALA A 11 -14.441 -1.760 -0.670 1.00 44.02 H new ATOM 0 HB2 ALA A 11 -13.308 -2.910 -1.420 1.00 44.02 H new ATOM 0 HB3 ALA A 11 -13.475 -2.852 0.351 1.00 44.02 H new ATOM 161 N ALA A 12 -12.496 -0.663 1.896 1.00 52.43 N ATOM 162 CA ALA A 12 -12.662 0.182 3.072 1.00 71.40 C ATOM 163 C ALA A 12 -11.574 1.253 3.141 1.00 64.10 C ATOM 164 O ALA A 12 -11.898 2.421 3.321 1.00 42.03 O ATOM 165 CB ALA A 12 -12.664 -0.663 4.346 1.00 75.10 C ATOM 0 H ALA A 12 -12.290 -1.637 2.116 1.00 52.43 H new ATOM 0 HA ALA A 12 -13.625 0.686 2.988 1.00 71.40 H new ATOM 0 HB1 ALA A 12 -12.789 -0.014 5.213 1.00 75.10 H new ATOM 0 HB2 ALA A 12 -13.485 -1.378 4.307 1.00 75.10 H new ATOM 0 HB3 ALA A 12 -11.719 -1.200 4.428 1.00 75.10 H new ATOM 171 N LEU A 13 -10.301 0.875 3.011 1.00 64.14 N ATOM 172 CA LEU A 13 -9.145 1.771 3.033 1.00 14.42 C ATOM 173 C LEU A 13 -9.398 2.977 2.131 1.00 72.24 C ATOM 174 O LEU A 13 -9.309 4.102 2.620 1.00 52.02 O ATOM 175 CB LEU A 13 -7.843 1.004 2.703 1.00 21.54 C ATOM 176 CG LEU A 13 -6.718 1.827 2.031 1.00 20.32 C ATOM 177 CD1 LEU A 13 -6.104 2.852 2.992 1.00 61.51 C ATOM 178 CD2 LEU A 13 -5.601 0.896 1.548 1.00 40.11 C ATOM 0 H LEU A 13 -10.038 -0.102 2.883 1.00 64.14 H new ATOM 0 HA LEU A 13 -9.005 2.163 4.040 1.00 14.42 H new ATOM 0 HB2 LEU A 13 -7.452 0.579 3.627 1.00 21.54 H new ATOM 0 HB3 LEU A 13 -8.094 0.168 2.049 1.00 21.54 H new ATOM 0 HG LEU A 13 -7.170 2.357 1.193 1.00 20.32 H new ATOM 0 HD11 LEU A 13 -5.319 3.407 2.479 1.00 61.51 H new ATOM 0 HD12 LEU A 13 -6.877 3.543 3.329 1.00 61.51 H new ATOM 0 HD13 LEU A 13 -5.680 2.335 3.853 1.00 61.51 H new ATOM 0 HD21 LEU A 13 -4.814 1.485 1.077 1.00 40.11 H new ATOM 0 HD22 LEU A 13 -5.188 0.352 2.398 1.00 40.11 H new ATOM 0 HD23 LEU A 13 -6.005 0.187 0.826 1.00 40.11 H new ATOM 189 N ILE A 14 -9.746 2.754 0.863 1.00 72.33 N ATOM 190 CA ILE A 14 -10.041 3.814 -0.092 1.00 22.44 C ATOM 191 C ILE A 14 -11.170 4.687 0.458 1.00 13.42 C ATOM 192 O ILE A 14 -10.989 5.896 0.587 1.00 75.44 O ATOM 193 CB ILE A 14 -10.337 3.194 -1.481 1.00 20.12 C ATOM 194 CG1 ILE A 14 -9.078 2.552 -2.116 1.00 43.00 C ATOM 195 CG2 ILE A 14 -10.939 4.217 -2.466 1.00 75.21 C ATOM 196 CD1 ILE A 14 -7.845 3.450 -2.157 1.00 33.25 C ATOM 0 H ILE A 14 -9.831 1.817 0.468 1.00 72.33 H new ATOM 0 HA ILE A 14 -9.183 4.471 -0.232 1.00 22.44 H new ATOM 0 HB ILE A 14 -11.075 2.413 -1.298 1.00 20.12 H new ATOM 0 HG12 ILE A 14 -8.831 1.647 -1.561 1.00 43.00 H new ATOM 0 HG13 ILE A 14 -9.319 2.246 -3.134 1.00 43.00 H new ATOM 0 HG21 ILE A 14 -11.128 3.732 -3.424 1.00 75.21 H new ATOM 0 HG22 ILE A 14 -11.876 4.602 -2.063 1.00 75.21 H new ATOM 0 HG23 ILE A 14 -10.239 5.041 -2.608 1.00 75.21 H new ATOM 0 HD11 ILE A 14 -7.018 2.911 -2.619 1.00 33.25 H new ATOM 0 HD12 ILE A 14 -8.066 4.345 -2.739 1.00 33.25 H new ATOM 0 HD13 ILE A 14 -7.570 3.737 -1.142 1.00 33.25 H new ATOM 207 N ARG A 15 -12.300 4.098 0.862 1.00 11.44 N ATOM 208 CA ARG A 15 -13.434 4.855 1.398 1.00 52.21 C ATOM 209 C ARG A 15 -13.017 5.739 2.561 1.00 15.41 C ATOM 210 O ARG A 15 -13.510 6.862 2.662 1.00 64.14 O ATOM 211 CB ARG A 15 -14.585 3.928 1.831 1.00 40.12 C ATOM 212 CG ARG A 15 -15.378 3.377 0.637 1.00 14.21 C ATOM 213 CD ARG A 15 -16.893 3.610 0.763 1.00 22.11 C ATOM 214 NE ARG A 15 -17.504 3.666 -0.574 1.00 71.24 N ATOM 215 CZ ARG A 15 -17.442 4.747 -1.362 1.00 22.41 C ATOM 216 NH1 ARG A 15 -17.077 5.936 -0.889 1.00 31.32 N ATOM 217 NH2 ARG A 15 -17.730 4.637 -2.651 1.00 21.45 N ATOM 0 H ARG A 15 -12.453 3.090 0.827 1.00 11.44 H new ATOM 0 HA ARG A 15 -13.792 5.492 0.589 1.00 52.21 H new ATOM 0 HB2 ARG A 15 -14.180 3.097 2.409 1.00 40.12 H new ATOM 0 HB3 ARG A 15 -15.260 4.475 2.490 1.00 40.12 H new ATOM 0 HG2 ARG A 15 -15.019 3.847 -0.279 1.00 14.21 H new ATOM 0 HG3 ARG A 15 -15.187 2.308 0.543 1.00 14.21 H new ATOM 0 HD2 ARG A 15 -17.346 2.808 1.346 1.00 22.11 H new ATOM 0 HD3 ARG A 15 -17.083 4.540 1.299 1.00 22.11 H new ATOM 0 HE ARG A 15 -17.998 2.842 -0.917 1.00 71.24 H new ATOM 0 HH11 ARG A 15 -16.836 6.041 0.097 1.00 31.32 H new ATOM 0 HH12 ARG A 15 -17.038 6.743 -1.512 1.00 31.32 H new ATOM 0 HH21 ARG A 15 -17.997 3.732 -3.038 1.00 21.45 H new ATOM 0 HH22 ARG A 15 -17.684 5.457 -3.256 1.00 21.45 H new ATOM 228 N ARG A 16 -12.159 5.232 3.449 1.00 60.14 N ATOM 229 CA ARG A 16 -11.772 5.874 4.701 1.00 14.42 C ATOM 230 C ARG A 16 -10.725 6.964 4.447 1.00 53.00 C ATOM 231 O ARG A 16 -10.763 8.002 5.111 1.00 32.13 O ATOM 232 CB ARG A 16 -11.231 4.786 5.648 1.00 74.22 C ATOM 233 CG ARG A 16 -12.311 3.783 6.112 1.00 60.43 C ATOM 234 CD ARG A 16 -11.738 2.425 6.557 1.00 21.42 C ATOM 235 NE ARG A 16 -10.806 2.543 7.688 1.00 72.42 N ATOM 236 CZ ARG A 16 -11.052 2.358 8.988 1.00 0.13 C ATOM 237 NH1 ARG A 16 -12.284 2.150 9.437 1.00 21.44 N ATOM 238 NH2 ARG A 16 -10.056 2.383 9.863 1.00 13.24 N ATOM 0 H ARG A 16 -11.700 4.332 3.308 1.00 60.14 H new ATOM 0 HA ARG A 16 -12.633 6.361 5.159 1.00 14.42 H new ATOM 0 HB2 ARG A 16 -10.432 4.241 5.145 1.00 74.22 H new ATOM 0 HB3 ARG A 16 -10.789 5.263 6.523 1.00 74.22 H new ATOM 0 HG2 ARG A 16 -12.871 4.221 6.939 1.00 60.43 H new ATOM 0 HG3 ARG A 16 -13.018 3.621 5.299 1.00 60.43 H new ATOM 0 HD2 ARG A 16 -12.558 1.763 6.836 1.00 21.42 H new ATOM 0 HD3 ARG A 16 -11.224 1.959 5.716 1.00 21.42 H new ATOM 0 HE ARG A 16 -9.848 2.799 7.449 1.00 72.42 H new ATOM 0 HH11 ARG A 16 -13.068 2.129 8.785 1.00 21.44 H new ATOM 0 HH12 ARG A 16 -12.447 2.011 10.434 1.00 21.44 H new ATOM 0 HH21 ARG A 16 -9.101 2.544 9.544 1.00 13.24 H new ATOM 0 HH22 ARG A 16 -10.245 2.242 10.855 1.00 13.24 H new ATOM 249 N ALA A 17 -9.795 6.736 3.518 1.00 51.10 N ATOM 250 CA ALA A 17 -8.750 7.668 3.114 1.00 3.03 C ATOM 251 C ALA A 17 -9.373 8.880 2.432 1.00 3.13 C ATOM 252 O ALA A 17 -9.127 10.017 2.836 1.00 60.10 O ATOM 253 CB ALA A 17 -7.805 6.966 2.134 1.00 3.31 C ATOM 0 H ALA A 17 -9.751 5.855 3.006 1.00 51.10 H new ATOM 0 HA ALA A 17 -8.197 7.997 3.994 1.00 3.03 H new ATOM 0 HB1 ALA A 17 -7.020 7.657 1.827 1.00 3.31 H new ATOM 0 HB2 ALA A 17 -7.356 6.099 2.619 1.00 3.31 H new ATOM 0 HB3 ALA A 17 -8.366 6.641 1.257 1.00 3.31 H new ATOM 259 N GLU A 18 -10.207 8.623 1.422 1.00 1.05 N ATOM 260 CA GLU A 18 -10.916 9.662 0.697 1.00 13.02 C ATOM 261 C GLU A 18 -11.755 10.491 1.675 1.00 11.11 C ATOM 262 O GLU A 18 -11.728 11.717 1.597 1.00 32.52 O ATOM 263 CB GLU A 18 -11.805 9.037 -0.379 1.00 73.24 C ATOM 264 CG GLU A 18 -11.084 8.558 -1.654 1.00 23.34 C ATOM 265 CD GLU A 18 -12.076 8.120 -2.749 1.00 62.14 C ATOM 266 OE1 GLU A 18 -13.312 8.153 -2.532 1.00 71.53 O ATOM 267 OE2 GLU A 18 -11.663 7.773 -3.879 1.00 32.15 O ATOM 0 H GLU A 18 -10.406 7.680 1.088 1.00 1.05 H new ATOM 0 HA GLU A 18 -10.195 10.318 0.209 1.00 13.02 H new ATOM 0 HB2 GLU A 18 -12.330 8.188 0.059 1.00 73.24 H new ATOM 0 HB3 GLU A 18 -12.562 9.766 -0.666 1.00 73.24 H new ATOM 0 HG2 GLU A 18 -10.453 9.360 -2.037 1.00 23.34 H new ATOM 0 HG3 GLU A 18 -10.426 7.725 -1.407 1.00 23.34 H new ATOM 272 N LEU A 19 -12.423 9.848 2.646 1.00 64.20 N ATOM 273 CA LEU A 19 -13.180 10.505 3.718 1.00 44.30 C ATOM 274 C LEU A 19 -12.339 11.524 4.469 1.00 62.14 C ATOM 275 O LEU A 19 -12.817 12.576 4.880 1.00 51.31 O ATOM 276 CB LEU A 19 -13.659 9.454 4.743 1.00 55.01 C ATOM 277 CG LEU A 19 -15.172 9.479 4.946 1.00 33.43 C ATOM 278 CD1 LEU A 19 -15.598 8.192 5.656 1.00 42.33 C ATOM 279 CD2 LEU A 19 -15.610 10.689 5.774 1.00 24.21 C ATOM 0 H LEU A 19 -12.451 8.830 2.707 1.00 64.20 H new ATOM 0 HA LEU A 19 -14.021 11.012 3.244 1.00 44.30 H new ATOM 0 HB2 LEU A 19 -13.357 8.462 4.408 1.00 55.01 H new ATOM 0 HB3 LEU A 19 -13.165 9.632 5.698 1.00 55.01 H new ATOM 0 HG LEU A 19 -15.650 9.554 3.969 1.00 33.43 H new ATOM 0 HD11 LEU A 19 -16.678 8.200 5.806 1.00 42.33 H new ATOM 0 HD12 LEU A 19 -15.322 7.332 5.046 1.00 42.33 H new ATOM 0 HD13 LEU A 19 -15.098 8.127 6.622 1.00 42.33 H new ATOM 0 HD21 LEU A 19 -16.693 10.673 5.897 1.00 24.21 H new ATOM 0 HD22 LEU A 19 -15.133 10.652 6.753 1.00 24.21 H new ATOM 0 HD23 LEU A 19 -15.317 11.606 5.262 1.00 24.21 H new ATOM 290 N GLY A 20 -11.084 11.165 4.713 1.00 54.04 N ATOM 291 CA GLY A 20 -10.109 12.030 5.357 1.00 12.15 C ATOM 292 C GLY A 20 -9.833 13.288 4.531 1.00 23.21 C ATOM 293 O GLY A 20 -9.570 14.353 5.094 1.00 41.42 O ATOM 0 H GLY A 20 -10.711 10.249 4.464 1.00 54.04 H new ATOM 0 HA2 GLY A 20 -10.472 12.316 6.344 1.00 12.15 H new ATOM 0 HA3 GLY A 20 -9.179 11.482 5.506 1.00 12.15 H new ATOM 297 N GLY A 21 -9.948 13.181 3.209 1.00 63.53 N ATOM 298 CA GLY A 21 -9.643 14.218 2.240 1.00 43.11 C ATOM 299 C GLY A 21 -8.418 13.878 1.391 1.00 75.14 C ATOM 300 O GLY A 21 -8.060 14.692 0.543 1.00 73.42 O ATOM 0 H GLY A 21 -10.274 12.321 2.767 1.00 63.53 H new ATOM 0 HA2 GLY A 21 -10.504 14.367 1.588 1.00 43.11 H new ATOM 0 HA3 GLY A 21 -9.471 15.160 2.761 1.00 43.11 H new ATOM 304 N ALA A 22 -7.781 12.715 1.582 1.00 63.52 N ATOM 305 CA ALA A 22 -6.615 12.316 0.790 1.00 4.02 C ATOM 306 C ALA A 22 -7.077 11.794 -0.576 1.00 74.14 C ATOM 307 O ALA A 22 -8.261 11.483 -0.759 1.00 23.51 O ATOM 308 CB ALA A 22 -5.789 11.264 1.548 1.00 20.21 C ATOM 0 H ALA A 22 -8.059 12.030 2.285 1.00 63.52 H new ATOM 0 HA ALA A 22 -5.972 13.180 0.626 1.00 4.02 H new ATOM 0 HB1 ALA A 22 -4.926 10.977 0.947 1.00 20.21 H new ATOM 0 HB2 ALA A 22 -5.449 11.682 2.495 1.00 20.21 H new ATOM 0 HB3 ALA A 22 -6.406 10.386 1.739 1.00 20.21 H new ATOM 314 N PHE A 23 -6.145 11.677 -1.525 1.00 54.41 N ATOM 315 CA PHE A 23 -6.417 11.180 -2.867 1.00 14.05 C ATOM 316 C PHE A 23 -5.992 9.719 -2.900 1.00 74.44 C ATOM 317 O PHE A 23 -4.796 9.416 -2.912 1.00 75.42 O ATOM 318 CB PHE A 23 -5.682 12.032 -3.919 1.00 43.44 C ATOM 319 CG PHE A 23 -6.358 12.090 -5.272 1.00 21.23 C ATOM 320 CD1 PHE A 23 -7.639 12.662 -5.385 1.00 24.23 C ATOM 321 CD2 PHE A 23 -5.694 11.630 -6.427 1.00 40.23 C ATOM 322 CE1 PHE A 23 -8.257 12.758 -6.642 1.00 33.41 C ATOM 323 CE2 PHE A 23 -6.312 11.736 -7.684 1.00 12.35 C ATOM 324 CZ PHE A 23 -7.594 12.302 -7.795 1.00 44.13 C ATOM 0 H PHE A 23 -5.168 11.930 -1.376 1.00 54.41 H new ATOM 0 HA PHE A 23 -7.477 11.254 -3.110 1.00 14.05 H new ATOM 0 HB2 PHE A 23 -5.578 13.047 -3.536 1.00 43.44 H new ATOM 0 HB3 PHE A 23 -4.675 11.636 -4.048 1.00 43.44 H new ATOM 0 HD1 PHE A 23 -8.147 13.027 -4.505 1.00 24.23 H new ATOM 0 HD2 PHE A 23 -4.709 11.195 -6.345 1.00 40.23 H new ATOM 0 HE1 PHE A 23 -9.246 13.184 -6.724 1.00 33.41 H new ATOM 0 HE2 PHE A 23 -5.801 11.382 -8.567 1.00 12.35 H new ATOM 0 HZ PHE A 23 -8.068 12.386 -8.762 1.00 44.13 H new ATOM 333 N ALA A 24 -6.945 8.792 -2.884 1.00 55.11 N ATOM 334 CA ALA A 24 -6.681 7.369 -2.751 1.00 55.01 C ATOM 335 C ALA A 24 -7.467 6.620 -3.818 1.00 31.11 C ATOM 336 O ALA A 24 -8.646 6.910 -4.008 1.00 41.32 O ATOM 337 CB ALA A 24 -7.102 6.946 -1.342 1.00 52.40 C ATOM 0 H ALA A 24 -7.937 9.015 -2.965 1.00 55.11 H new ATOM 0 HA ALA A 24 -5.624 7.140 -2.890 1.00 55.01 H new ATOM 0 HB1 ALA A 24 -6.916 5.880 -1.211 1.00 52.40 H new ATOM 0 HB2 ALA A 24 -6.527 7.508 -0.606 1.00 52.40 H new ATOM 0 HB3 ALA A 24 -8.164 7.148 -1.203 1.00 52.40 H new ATOM 343 N THR A 25 -6.845 5.631 -4.463 1.00 12.23 N ATOM 344 CA THR A 25 -7.525 4.713 -5.364 1.00 74.30 C ATOM 345 C THR A 25 -6.652 3.476 -5.597 1.00 41.42 C ATOM 346 O THR A 25 -5.507 3.411 -5.129 1.00 21.34 O ATOM 347 CB THR A 25 -7.931 5.434 -6.659 1.00 21.32 C ATOM 348 OG1 THR A 25 -8.917 4.660 -7.301 1.00 43.44 O ATOM 349 CG2 THR A 25 -6.758 5.617 -7.613 1.00 43.03 C ATOM 0 H THR A 25 -5.846 5.447 -4.370 1.00 12.23 H new ATOM 0 HA THR A 25 -8.453 4.362 -4.913 1.00 74.30 H new ATOM 0 HB THR A 25 -8.300 6.425 -6.395 1.00 21.32 H new ATOM 0 HG1 THR A 25 -9.192 5.103 -8.130 1.00 43.44 H new ATOM 0 HG21 THR A 25 -7.097 6.131 -8.512 1.00 43.03 H new ATOM 0 HG22 THR A 25 -5.983 6.209 -7.127 1.00 43.03 H new ATOM 0 HG23 THR A 25 -6.353 4.642 -7.884 1.00 43.03 H new ATOM 357 N VAL A 26 -7.160 2.511 -6.362 1.00 73.54 N ATOM 358 CA VAL A 26 -6.426 1.348 -6.825 1.00 75.31 C ATOM 359 C VAL A 26 -6.252 1.440 -8.350 1.00 21.51 C ATOM 360 O VAL A 26 -7.205 1.707 -9.085 1.00 62.43 O ATOM 361 CB VAL A 26 -7.123 0.077 -6.298 1.00 14.32 C ATOM 362 CG1 VAL A 26 -8.537 -0.158 -6.838 1.00 42.04 C ATOM 363 CG2 VAL A 26 -6.277 -1.161 -6.573 1.00 74.34 C ATOM 0 H VAL A 26 -8.128 2.524 -6.684 1.00 73.54 H new ATOM 0 HA VAL A 26 -5.412 1.303 -6.428 1.00 75.31 H new ATOM 0 HB VAL A 26 -7.226 0.250 -5.227 1.00 14.32 H new ATOM 0 HG11 VAL A 26 -8.942 -1.075 -6.410 1.00 42.04 H new ATOM 0 HG12 VAL A 26 -9.175 0.683 -6.566 1.00 42.04 H new ATOM 0 HG13 VAL A 26 -8.501 -0.250 -7.924 1.00 42.04 H new ATOM 0 HG21 VAL A 26 -6.790 -2.044 -6.192 1.00 74.34 H new ATOM 0 HG22 VAL A 26 -6.124 -1.266 -7.647 1.00 74.34 H new ATOM 0 HG23 VAL A 26 -5.312 -1.060 -6.077 1.00 74.34 H new ATOM 373 N ALA A 27 -5.025 1.220 -8.833 1.00 40.22 N ATOM 374 CA ALA A 27 -4.619 1.393 -10.229 1.00 43.04 C ATOM 375 C ALA A 27 -4.365 0.068 -10.959 1.00 52.41 C ATOM 376 O ALA A 27 -4.092 0.064 -12.162 1.00 33.14 O ATOM 377 CB ALA A 27 -3.343 2.239 -10.263 1.00 1.45 C ATOM 0 H ALA A 27 -4.259 0.904 -8.238 1.00 40.22 H new ATOM 0 HA ALA A 27 -5.442 1.883 -10.749 1.00 43.04 H new ATOM 0 HB1 ALA A 27 -3.026 2.378 -11.297 1.00 1.45 H new ATOM 0 HB2 ALA A 27 -3.539 3.211 -9.810 1.00 1.45 H new ATOM 0 HB3 ALA A 27 -2.555 1.731 -9.707 1.00 1.45 H new ATOM 383 N ARG A 28 -4.392 -1.046 -10.223 1.00 62.54 N ATOM 384 CA ARG A 28 -4.100 -2.409 -10.692 1.00 4.04 C ATOM 385 C ARG A 28 -4.729 -3.382 -9.703 1.00 13.11 C ATOM 386 O ARG A 28 -4.789 -3.045 -8.520 1.00 72.44 O ATOM 387 CB ARG A 28 -2.585 -2.626 -10.707 1.00 14.33 C ATOM 388 CG ARG A 28 -2.039 -3.625 -11.738 1.00 13.11 C ATOM 389 CD ARG A 28 -0.927 -2.975 -12.579 1.00 74.40 C ATOM 390 NE ARG A 28 -1.485 -2.140 -13.655 1.00 3.35 N ATOM 391 CZ ARG A 28 -1.100 -0.925 -14.058 1.00 34.43 C ATOM 392 NH1 ARG A 28 -0.095 -0.266 -13.483 1.00 61.10 N ATOM 393 NH2 ARG A 28 -1.720 -0.373 -15.091 1.00 42.41 N ATOM 0 H ARG A 28 -4.630 -1.024 -9.231 1.00 62.54 H new ATOM 0 HA ARG A 28 -4.496 -2.562 -11.696 1.00 4.04 H new ATOM 0 HB2 ARG A 28 -2.105 -1.663 -10.880 1.00 14.33 H new ATOM 0 HB3 ARG A 28 -2.280 -2.960 -9.715 1.00 14.33 H new ATOM 0 HG2 ARG A 28 -1.650 -4.507 -11.229 1.00 13.11 H new ATOM 0 HG3 ARG A 28 -2.845 -3.963 -12.389 1.00 13.11 H new ATOM 0 HD2 ARG A 28 -0.292 -2.366 -11.936 1.00 74.40 H new ATOM 0 HD3 ARG A 28 -0.294 -3.751 -13.010 1.00 74.40 H new ATOM 0 HE ARG A 28 -2.273 -2.543 -14.162 1.00 3.35 H new ATOM 0 HH11 ARG A 28 0.412 -0.687 -12.705 1.00 61.10 H new ATOM 0 HH12 ARG A 28 0.167 0.660 -13.821 1.00 61.10 H new ATOM 0 HH21 ARG A 28 -2.474 -0.874 -15.561 1.00 42.41 H new ATOM 0 HH22 ARG A 28 -1.443 0.553 -15.416 1.00 42.41 H new ATOM 404 N LYS A 29 -5.139 -4.574 -10.129 1.00 63.50 N ATOM 405 CA LYS A 29 -5.809 -5.548 -9.266 1.00 11.31 C ATOM 406 C LYS A 29 -4.946 -6.799 -9.121 1.00 15.44 C ATOM 407 O LYS A 29 -4.218 -7.142 -10.048 1.00 4.34 O ATOM 408 CB LYS A 29 -7.206 -5.837 -9.847 1.00 35.45 C ATOM 409 CG LYS A 29 -7.909 -6.966 -9.090 1.00 41.22 C ATOM 410 CD LYS A 29 -9.382 -7.176 -9.414 1.00 40.30 C ATOM 411 CE LYS A 29 -10.268 -5.993 -9.021 1.00 1.43 C ATOM 412 NZ LYS A 29 -11.669 -6.429 -8.861 1.00 73.12 N ATOM 0 H LYS A 29 -5.016 -4.895 -11.089 1.00 63.50 H new ATOM 0 HA LYS A 29 -5.943 -5.153 -8.259 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -7.814 -4.933 -9.801 1.00 35.45 H new ATOM 0 HB3 LYS A 29 -7.114 -6.106 -10.899 1.00 35.45 H new ATOM 0 HG2 LYS A 29 -7.378 -7.896 -9.291 1.00 41.22 H new ATOM 0 HG3 LYS A 29 -7.817 -6.771 -8.021 1.00 41.22 H new ATOM 0 HD2 LYS A 29 -9.488 -7.360 -10.483 1.00 40.30 H new ATOM 0 HD3 LYS A 29 -9.735 -8.070 -8.900 1.00 40.30 H new ATOM 0 HE2 LYS A 29 -9.908 -5.555 -8.090 1.00 1.43 H new ATOM 0 HE3 LYS A 29 -10.207 -5.216 -9.783 1.00 1.43 H new ATOM 0 HZ1 LYS A 29 -12.258 -5.614 -8.594 1.00 73.12 H new ATOM 0 HZ2 LYS A 29 -12.014 -6.826 -9.758 1.00 73.12 H new ATOM 0 HZ3 LYS A 29 -11.724 -7.154 -8.118 1.00 73.12 H new ATOM 422 N GLY A 30 -5.074 -7.481 -7.983 1.00 2.13 N ATOM 423 CA GLY A 30 -4.531 -8.801 -7.705 1.00 51.12 C ATOM 424 C GLY A 30 -5.657 -9.807 -7.381 1.00 42.13 C ATOM 425 O GLY A 30 -6.832 -9.472 -7.519 1.00 0.05 O ATOM 0 H GLY A 30 -5.589 -7.101 -7.189 1.00 2.13 H new ATOM 0 HA2 GLY A 30 -3.962 -9.152 -8.565 1.00 51.12 H new ATOM 0 HA3 GLY A 30 -3.838 -8.743 -6.866 1.00 51.12 H new ATOM 429 N ASP A 31 -5.343 -10.992 -6.831 1.00 11.14 N ATOM 430 CA ASP A 31 -6.247 -12.158 -6.610 1.00 43.20 C ATOM 431 C ASP A 31 -7.358 -11.979 -5.567 1.00 3.03 C ATOM 432 O ASP A 31 -7.842 -12.954 -5.008 1.00 40.04 O ATOM 433 CB ASP A 31 -5.406 -13.384 -6.172 1.00 23.51 C ATOM 434 CG ASP A 31 -6.139 -14.744 -6.257 1.00 32.13 C ATOM 435 OD1 ASP A 31 -6.628 -15.115 -7.354 1.00 41.12 O ATOM 436 OD2 ASP A 31 -6.240 -15.433 -5.213 1.00 32.31 O ATOM 0 H ASP A 31 -4.396 -11.184 -6.505 1.00 11.14 H new ATOM 0 HA ASP A 31 -6.747 -12.284 -7.570 1.00 43.20 H new ATOM 0 HB2 ASP A 31 -4.511 -13.432 -6.792 1.00 23.51 H new ATOM 0 HB3 ASP A 31 -5.075 -13.230 -5.145 1.00 23.51 H new ATOM 440 N ALA A 32 -7.768 -10.750 -5.275 1.00 32.12 N ATOM 441 CA ALA A 32 -8.712 -10.318 -4.236 1.00 24.31 C ATOM 442 C ALA A 32 -8.482 -10.866 -2.819 1.00 15.11 C ATOM 443 O ALA A 32 -9.103 -10.382 -1.880 1.00 13.23 O ATOM 444 CB ALA A 32 -10.149 -10.554 -4.715 1.00 13.02 C ATOM 0 H ALA A 32 -7.419 -9.952 -5.806 1.00 32.12 H new ATOM 0 HA ALA A 32 -8.520 -9.253 -4.107 1.00 24.31 H new ATOM 0 HB1 ALA A 32 -10.847 -10.233 -3.942 1.00 13.02 H new ATOM 0 HB2 ALA A 32 -10.327 -9.982 -5.626 1.00 13.02 H new ATOM 0 HB3 ALA A 32 -10.295 -11.615 -4.918 1.00 13.02 H new ATOM 450 N ARG A 33 -7.579 -11.820 -2.628 1.00 55.43 N ATOM 451 CA ARG A 33 -7.413 -12.645 -1.471 1.00 14.44 C ATOM 452 C ARG A 33 -5.937 -13.002 -1.320 1.00 24.32 C ATOM 453 O ARG A 33 -5.432 -13.009 -0.201 1.00 40.24 O ATOM 454 CB ARG A 33 -8.309 -13.866 -1.749 1.00 3.05 C ATOM 455 CG ARG A 33 -8.025 -14.973 -0.760 1.00 63.12 C ATOM 456 CD ARG A 33 -7.086 -16.034 -1.362 1.00 24.44 C ATOM 457 NE ARG A 33 -6.315 -16.703 -0.309 1.00 11.43 N ATOM 458 CZ ARG A 33 -6.109 -18.017 -0.230 1.00 3.01 C ATOM 459 NH1 ARG A 33 -6.183 -18.776 -1.321 1.00 72.13 N ATOM 460 NH2 ARG A 33 -5.837 -18.551 0.958 1.00 12.15 N ATOM 0 H ARG A 33 -6.893 -12.043 -3.349 1.00 55.43 H new ATOM 0 HA ARG A 33 -7.697 -12.170 -0.532 1.00 14.44 H new ATOM 0 HB2 ARG A 33 -9.358 -13.576 -1.686 1.00 3.05 H new ATOM 0 HB3 ARG A 33 -8.138 -14.225 -2.764 1.00 3.05 H new ATOM 0 HG2 ARG A 33 -7.574 -14.553 0.139 1.00 63.12 H new ATOM 0 HG3 ARG A 33 -8.961 -15.442 -0.458 1.00 63.12 H new ATOM 0 HD2 ARG A 33 -7.669 -16.770 -1.916 1.00 24.44 H new ATOM 0 HD3 ARG A 33 -6.407 -15.564 -2.074 1.00 24.44 H new ATOM 0 HE ARG A 33 -5.905 -16.117 0.419 1.00 11.43 H new ATOM 0 HH11 ARG A 33 -6.398 -18.352 -2.223 1.00 72.13 H new ATOM 0 HH12 ARG A 33 -6.024 -19.781 -1.255 1.00 72.13 H new ATOM 0 HH21 ARG A 33 -5.790 -17.957 1.786 1.00 12.15 H new ATOM 0 HH22 ARG A 33 -5.676 -19.555 1.041 1.00 12.15 H new ATOM 471 N ALA A 34 -5.265 -13.317 -2.432 1.00 12.24 N ATOM 472 CA ALA A 34 -3.847 -13.652 -2.488 1.00 42.20 C ATOM 473 C ALA A 34 -3.143 -12.837 -3.569 1.00 4.42 C ATOM 474 O ALA A 34 -2.167 -13.280 -4.182 1.00 4.11 O ATOM 475 CB ALA A 34 -3.689 -15.162 -2.678 1.00 64.13 C ATOM 0 H ALA A 34 -5.714 -13.345 -3.348 1.00 12.24 H new ATOM 0 HA ALA A 34 -3.364 -13.388 -1.547 1.00 42.20 H new ATOM 0 HB1 ALA A 34 -2.629 -15.415 -2.720 1.00 64.13 H new ATOM 0 HB2 ALA A 34 -4.154 -15.685 -1.842 1.00 64.13 H new ATOM 0 HB3 ALA A 34 -4.171 -15.464 -3.608 1.00 64.13 H new ATOM 481 N GLY A 35 -3.673 -11.646 -3.849 1.00 14.01 N ATOM 482 CA GLY A 35 -2.958 -10.680 -4.642 1.00 61.30 C ATOM 483 C GLY A 35 -2.044 -9.961 -3.680 1.00 12.05 C ATOM 484 O GLY A 35 -2.520 -9.471 -2.657 1.00 22.25 O ATOM 0 H GLY A 35 -4.593 -11.340 -3.534 1.00 14.01 H new ATOM 0 HA2 GLY A 35 -2.389 -11.167 -5.434 1.00 61.30 H new ATOM 0 HA3 GLY A 35 -3.644 -9.984 -5.125 1.00 61.30 H new ATOM 488 N ALA A 36 -0.759 -9.896 -3.999 1.00 44.33 N ATOM 489 CA ALA A 36 0.144 -9.006 -3.279 1.00 44.33 C ATOM 490 C ALA A 36 -0.330 -7.568 -3.499 1.00 14.03 C ATOM 491 O ALA A 36 -1.043 -7.310 -4.463 1.00 55.01 O ATOM 492 CB ALA A 36 1.576 -9.232 -3.763 1.00 33.14 C ATOM 0 H ALA A 36 -0.321 -10.441 -4.742 1.00 44.33 H new ATOM 0 HA ALA A 36 0.135 -9.210 -2.208 1.00 44.33 H new ATOM 0 HB1 ALA A 36 2.251 -8.567 -3.225 1.00 33.14 H new ATOM 0 HB2 ALA A 36 1.863 -10.267 -3.579 1.00 33.14 H new ATOM 0 HB3 ALA A 36 1.636 -9.023 -4.831 1.00 33.14 H new ATOM 498 N VAL A 37 0.022 -6.613 -2.647 1.00 34.22 N ATOM 499 CA VAL A 37 -0.458 -5.246 -2.710 1.00 74.50 C ATOM 500 C VAL A 37 0.695 -4.328 -2.366 1.00 63.14 C ATOM 501 O VAL A 37 1.440 -4.595 -1.426 1.00 40.12 O ATOM 502 CB VAL A 37 -1.647 -5.038 -1.742 1.00 72.53 C ATOM 503 CG1 VAL A 37 -1.993 -6.251 -0.889 1.00 33.31 C ATOM 504 CG2 VAL A 37 -1.866 -3.582 -1.303 1.00 51.30 C ATOM 0 H VAL A 37 0.667 -6.777 -1.874 1.00 34.22 H new ATOM 0 HA VAL A 37 -0.821 -5.020 -3.713 1.00 74.50 H new ATOM 0 HB VAL A 37 -2.600 -5.078 -2.269 1.00 72.53 H new ATOM 0 HG11 VAL A 37 -2.837 -6.012 -0.242 1.00 33.31 H new ATOM 0 HG12 VAL A 37 -2.257 -7.088 -1.536 1.00 33.31 H new ATOM 0 HG13 VAL A 37 -1.133 -6.523 -0.277 1.00 33.31 H new ATOM 0 HG21 VAL A 37 -2.719 -3.530 -0.626 1.00 51.30 H new ATOM 0 HG22 VAL A 37 -0.975 -3.218 -0.792 1.00 51.30 H new ATOM 0 HG23 VAL A 37 -2.060 -2.963 -2.179 1.00 51.30 H new ATOM 514 N LEU A 38 0.813 -3.235 -3.110 1.00 51.04 N ATOM 515 CA LEU A 38 1.678 -2.108 -2.859 1.00 44.42 C ATOM 516 C LEU A 38 0.762 -0.979 -2.444 1.00 22.52 C ATOM 517 O LEU A 38 -0.054 -0.538 -3.247 1.00 31.21 O ATOM 518 CB LEU A 38 2.428 -1.800 -4.165 1.00 21.13 C ATOM 519 CG LEU A 38 3.703 -2.638 -4.359 1.00 62.40 C ATOM 520 CD1 LEU A 38 3.739 -3.991 -3.652 1.00 64.52 C ATOM 521 CD2 LEU A 38 4.039 -2.757 -5.841 1.00 24.14 C ATOM 0 H LEU A 38 0.265 -3.113 -3.962 1.00 51.04 H new ATOM 0 HA LEU A 38 2.423 -2.280 -2.082 1.00 44.42 H new ATOM 0 HB2 LEU A 38 1.758 -1.973 -5.007 1.00 21.13 H new ATOM 0 HB3 LEU A 38 2.693 -0.743 -4.181 1.00 21.13 H new ATOM 0 HG LEU A 38 4.485 -2.078 -3.847 1.00 62.40 H new ATOM 0 HD11 LEU A 38 4.686 -4.487 -3.864 1.00 64.52 H new ATOM 0 HD12 LEU A 38 3.640 -3.842 -2.577 1.00 64.52 H new ATOM 0 HD13 LEU A 38 2.917 -4.611 -4.010 1.00 64.52 H new ATOM 0 HD21 LEU A 38 4.944 -3.353 -5.962 1.00 24.14 H new ATOM 0 HD22 LEU A 38 3.213 -3.240 -6.364 1.00 24.14 H new ATOM 0 HD23 LEU A 38 4.200 -1.763 -6.258 1.00 24.14 H new ATOM 532 N VAL A 39 0.867 -0.551 -1.188 1.00 12.01 N ATOM 533 CA VAL A 39 0.255 0.682 -0.714 1.00 55.34 C ATOM 534 C VAL A 39 1.377 1.709 -0.658 1.00 35.22 C ATOM 535 O VAL A 39 2.150 1.752 0.298 1.00 51.03 O ATOM 536 CB VAL A 39 -0.473 0.507 0.633 1.00 75.22 C ATOM 537 CG1 VAL A 39 -1.212 1.803 1.016 1.00 40.32 C ATOM 538 CG2 VAL A 39 -1.473 -0.657 0.600 1.00 72.12 C ATOM 0 H VAL A 39 1.383 -1.056 -0.468 1.00 12.01 H new ATOM 0 HA VAL A 39 -0.535 1.011 -1.389 1.00 55.34 H new ATOM 0 HB VAL A 39 0.288 0.280 1.380 1.00 75.22 H new ATOM 0 HG11 VAL A 39 -1.721 1.663 1.970 1.00 40.32 H new ATOM 0 HG12 VAL A 39 -0.494 2.619 1.104 1.00 40.32 H new ATOM 0 HG13 VAL A 39 -1.944 2.045 0.246 1.00 40.32 H new ATOM 0 HG21 VAL A 39 -1.963 -0.744 1.570 1.00 72.12 H new ATOM 0 HG22 VAL A 39 -2.222 -0.471 -0.170 1.00 72.12 H new ATOM 0 HG23 VAL A 39 -0.945 -1.584 0.376 1.00 72.12 H new ATOM 548 N LYS A 40 1.543 2.498 -1.711 1.00 42.03 N ATOM 549 CA LYS A 40 2.421 3.657 -1.646 1.00 2.24 C ATOM 550 C LYS A 40 1.671 4.769 -0.923 1.00 74.50 C ATOM 551 O LYS A 40 0.471 4.929 -1.138 1.00 13.24 O ATOM 552 CB LYS A 40 2.799 3.992 -3.074 1.00 42.10 C ATOM 553 CG LYS A 40 3.583 5.293 -3.209 1.00 41.34 C ATOM 554 CD LYS A 40 4.108 5.354 -4.638 1.00 43.00 C ATOM 555 CE LYS A 40 4.514 6.784 -4.965 1.00 64.40 C ATOM 556 NZ LYS A 40 5.095 6.838 -6.323 1.00 32.22 N ATOM 0 H LYS A 40 1.086 2.358 -2.612 1.00 42.03 H new ATOM 0 HA LYS A 40 3.342 3.489 -1.088 1.00 2.24 H new ATOM 0 HB2 LYS A 40 3.393 3.175 -3.485 1.00 42.10 H new ATOM 0 HB3 LYS A 40 1.892 4.060 -3.675 1.00 42.10 H new ATOM 0 HG2 LYS A 40 2.945 6.151 -2.996 1.00 41.34 H new ATOM 0 HG3 LYS A 40 4.406 5.323 -2.495 1.00 41.34 H new ATOM 0 HD2 LYS A 40 4.962 4.686 -4.753 1.00 43.00 H new ATOM 0 HD3 LYS A 40 3.341 5.013 -5.334 1.00 43.00 H new ATOM 0 HE2 LYS A 40 3.647 7.442 -4.903 1.00 64.40 H new ATOM 0 HE3 LYS A 40 5.239 7.143 -4.234 1.00 64.40 H new ATOM 0 HZ1 LYS A 40 5.371 7.816 -6.544 1.00 32.22 H new ATOM 0 HZ2 LYS A 40 5.933 6.223 -6.367 1.00 32.22 H new ATOM 0 HZ3 LYS A 40 4.390 6.513 -7.015 1.00 32.22 H new ATOM 566 N ALA A 41 2.371 5.549 -0.100 1.00 20.55 N ATOM 567 CA ALA A 41 1.829 6.723 0.565 1.00 43.12 C ATOM 568 C ALA A 41 2.791 7.868 0.301 1.00 54.12 C ATOM 569 O ALA A 41 3.967 7.784 0.666 1.00 72.24 O ATOM 570 CB ALA A 41 1.641 6.476 2.065 1.00 51.21 C ATOM 0 H ALA A 41 3.351 5.375 0.125 1.00 20.55 H new ATOM 0 HA ALA A 41 0.840 6.963 0.175 1.00 43.12 H new ATOM 0 HB1 ALA A 41 1.234 7.372 2.533 1.00 51.21 H new ATOM 0 HB2 ALA A 41 0.952 5.645 2.213 1.00 51.21 H new ATOM 0 HB3 ALA A 41 2.603 6.235 2.517 1.00 51.21 H new ATOM 576 N VAL A 42 2.315 8.910 -0.368 1.00 3.03 N ATOM 577 CA VAL A 42 3.086 10.103 -0.663 1.00 75.13 C ATOM 578 C VAL A 42 2.647 11.182 0.322 1.00 12.34 C ATOM 579 O VAL A 42 1.448 11.398 0.513 1.00 73.52 O ATOM 580 CB VAL A 42 2.897 10.515 -2.134 1.00 32.32 C ATOM 581 CG1 VAL A 42 3.913 11.602 -2.492 1.00 51.10 C ATOM 582 CG2 VAL A 42 3.092 9.331 -3.099 1.00 73.14 C ATOM 0 H VAL A 42 1.361 8.947 -0.727 1.00 3.03 H new ATOM 0 HA VAL A 42 4.155 9.930 -0.542 1.00 75.13 H new ATOM 0 HB VAL A 42 1.875 10.880 -2.240 1.00 32.32 H new ATOM 0 HG11 VAL A 42 3.781 11.895 -3.534 1.00 51.10 H new ATOM 0 HG12 VAL A 42 3.760 12.469 -1.849 1.00 51.10 H new ATOM 0 HG13 VAL A 42 4.923 11.218 -2.349 1.00 51.10 H new ATOM 0 HG21 VAL A 42 2.949 9.670 -4.125 1.00 73.14 H new ATOM 0 HG22 VAL A 42 4.100 8.932 -2.986 1.00 73.14 H new ATOM 0 HG23 VAL A 42 2.365 8.551 -2.870 1.00 73.14 H new ATOM 592 N ASP A 43 3.606 11.827 0.979 1.00 51.43 N ATOM 593 CA ASP A 43 3.368 12.930 1.903 1.00 60.50 C ATOM 594 C ASP A 43 3.512 14.262 1.171 1.00 55.02 C ATOM 595 O ASP A 43 4.627 14.661 0.818 1.00 34.55 O ATOM 596 CB ASP A 43 4.381 12.885 3.053 1.00 3.01 C ATOM 597 CG ASP A 43 4.123 13.971 4.102 1.00 40.11 C ATOM 598 OD1 ASP A 43 3.148 14.743 3.947 1.00 34.42 O ATOM 599 OD2 ASP A 43 4.880 14.008 5.100 1.00 2.22 O ATOM 0 H ASP A 43 4.594 11.591 0.881 1.00 51.43 H new ATOM 0 HA ASP A 43 2.358 12.835 2.302 1.00 60.50 H new ATOM 0 HB2 ASP A 43 4.341 11.906 3.530 1.00 3.01 H new ATOM 0 HB3 ASP A 43 5.388 13.003 2.652 1.00 3.01 H new ATOM 603 N ARG A 44 2.411 14.991 0.946 1.00 14.12 N ATOM 604 CA ARG A 44 2.535 16.306 0.315 1.00 12.22 C ATOM 605 C ARG A 44 3.367 17.305 1.104 1.00 55.12 C ATOM 606 O ARG A 44 3.991 18.147 0.459 1.00 72.23 O ATOM 607 CB ARG A 44 1.171 16.939 -0.025 1.00 15.12 C ATOM 608 CG ARG A 44 0.691 16.554 -1.425 1.00 32.41 C ATOM 609 CD ARG A 44 1.611 17.028 -2.573 1.00 2.21 C ATOM 610 NE ARG A 44 1.286 18.389 -3.036 1.00 73.30 N ATOM 611 CZ ARG A 44 1.845 19.554 -2.666 1.00 44.01 C ATOM 612 NH1 ARG A 44 2.720 19.640 -1.668 1.00 40.23 N ATOM 613 NH2 ARG A 44 1.510 20.675 -3.291 1.00 43.40 N ATOM 0 H ARG A 44 1.461 14.706 1.182 1.00 14.12 H new ATOM 0 HA ARG A 44 3.071 16.092 -0.610 1.00 12.22 H new ATOM 0 HB2 ARG A 44 0.432 16.623 0.711 1.00 15.12 H new ATOM 0 HB3 ARG A 44 1.248 18.024 0.046 1.00 15.12 H new ATOM 0 HG2 ARG A 44 0.596 15.469 -1.477 1.00 32.41 H new ATOM 0 HG3 ARG A 44 -0.305 16.969 -1.580 1.00 32.41 H new ATOM 0 HD2 ARG A 44 2.648 17.000 -2.237 1.00 2.21 H new ATOM 0 HD3 ARG A 44 1.528 16.334 -3.410 1.00 2.21 H new ATOM 0 HE ARG A 44 0.539 18.455 -3.728 1.00 73.30 H new ATOM 0 HH11 ARG A 44 2.989 18.802 -1.152 1.00 40.23 H new ATOM 0 HH12 ARG A 44 3.122 20.544 -1.418 1.00 40.23 H new ATOM 0 HH21 ARG A 44 0.830 20.652 -4.051 1.00 43.40 H new ATOM 0 HH22 ARG A 44 1.933 21.560 -3.012 1.00 43.40 H new ATOM 624 N ARG A 45 3.343 17.285 2.439 1.00 22.21 N ATOM 625 CA ARG A 45 3.792 18.440 3.226 1.00 44.10 C ATOM 626 C ARG A 45 5.287 18.467 3.456 1.00 3.31 C ATOM 627 O ARG A 45 5.844 19.502 3.809 1.00 75.51 O ATOM 628 CB ARG A 45 3.039 18.486 4.547 1.00 21.25 C ATOM 629 CG ARG A 45 3.639 17.616 5.634 1.00 33.32 C ATOM 630 CD ARG A 45 2.829 17.570 6.911 1.00 53.44 C ATOM 631 NE ARG A 45 3.678 17.011 7.974 1.00 22.33 N ATOM 632 CZ ARG A 45 3.507 17.105 9.291 1.00 20.22 C ATOM 633 NH1 ARG A 45 2.392 17.627 9.796 1.00 64.40 N ATOM 634 NH2 ARG A 45 4.479 16.679 10.084 1.00 61.44 N ATOM 0 H ARG A 45 3.022 16.492 2.994 1.00 22.21 H new ATOM 0 HA ARG A 45 3.566 19.332 2.641 1.00 44.10 H new ATOM 0 HB2 ARG A 45 3.007 19.517 4.899 1.00 21.25 H new ATOM 0 HB3 ARG A 45 2.008 18.175 4.376 1.00 21.25 H new ATOM 0 HG2 ARG A 45 3.751 16.602 5.251 1.00 33.32 H new ATOM 0 HG3 ARG A 45 4.640 17.981 5.865 1.00 33.32 H new ATOM 0 HD2 ARG A 45 2.489 18.570 7.182 1.00 53.44 H new ATOM 0 HD3 ARG A 45 1.938 16.957 6.774 1.00 53.44 H new ATOM 0 HE ARG A 45 4.497 16.488 7.665 1.00 22.33 H new ATOM 0 HH11 ARG A 45 1.657 17.960 9.172 1.00 64.40 H new ATOM 0 HH12 ARG A 45 2.272 17.694 10.807 1.00 64.40 H new ATOM 0 HH21 ARG A 45 5.332 16.291 9.682 1.00 61.44 H new ATOM 0 HH22 ARG A 45 4.374 16.739 11.097 1.00 61.44 H new ATOM 645 N GLU A 46 5.894 17.295 3.402 1.00 24.44 N ATOM 646 CA GLU A 46 7.333 17.098 3.598 1.00 24.11 C ATOM 647 C GLU A 46 8.032 16.741 2.281 1.00 74.12 C ATOM 648 O GLU A 46 9.257 16.615 2.276 1.00 14.33 O ATOM 649 CB GLU A 46 7.609 16.056 4.705 1.00 75.44 C ATOM 650 CG GLU A 46 6.907 16.433 6.011 1.00 12.04 C ATOM 651 CD GLU A 46 7.233 15.634 7.272 1.00 51.30 C ATOM 652 OE1 GLU A 46 8.119 14.742 7.285 1.00 61.31 O ATOM 653 OE2 GLU A 46 6.579 15.941 8.301 1.00 54.30 O ATOM 0 H GLU A 46 5.393 16.426 3.216 1.00 24.44 H new ATOM 0 HA GLU A 46 7.758 18.043 3.936 1.00 24.11 H new ATOM 0 HB2 GLU A 46 7.268 15.074 4.377 1.00 75.44 H new ATOM 0 HB3 GLU A 46 8.683 15.980 4.876 1.00 75.44 H new ATOM 0 HG2 GLU A 46 7.129 17.480 6.216 1.00 12.04 H new ATOM 0 HG3 GLU A 46 5.833 16.362 5.842 1.00 12.04 H new ATOM 658 N GLY A 47 7.281 16.583 1.183 1.00 21.13 N ATOM 659 CA GLY A 47 7.798 16.192 -0.128 1.00 31.23 C ATOM 660 C GLY A 47 8.089 14.691 -0.231 1.00 20.51 C ATOM 661 O GLY A 47 8.403 14.180 -1.310 1.00 51.43 O ATOM 0 H GLY A 47 6.271 16.728 1.186 1.00 21.13 H new ATOM 0 HA2 GLY A 47 7.076 16.470 -0.895 1.00 31.23 H new ATOM 0 HA3 GLY A 47 8.712 16.749 -0.333 1.00 31.23 H new ATOM 665 N THR A 48 8.020 13.974 0.882 1.00 43.13 N ATOM 666 CA THR A 48 8.512 12.622 1.044 1.00 75.33 C ATOM 667 C THR A 48 7.494 11.623 0.506 1.00 74.43 C ATOM 668 O THR A 48 6.344 11.961 0.210 1.00 74.44 O ATOM 669 CB THR A 48 8.797 12.398 2.543 1.00 4.13 C ATOM 670 OG1 THR A 48 7.736 12.917 3.315 1.00 63.51 O ATOM 671 CG2 THR A 48 10.056 13.143 2.988 1.00 52.33 C ATOM 0 H THR A 48 7.598 14.341 1.735 1.00 43.13 H new ATOM 0 HA THR A 48 9.431 12.473 0.477 1.00 75.33 H new ATOM 0 HB THR A 48 8.919 11.324 2.687 1.00 4.13 H new ATOM 0 HG1 THR A 48 7.921 12.771 4.266 1.00 63.51 H new ATOM 0 HG21 THR A 48 10.229 12.964 4.049 1.00 52.33 H new ATOM 0 HG22 THR A 48 10.912 12.785 2.416 1.00 52.33 H new ATOM 0 HG23 THR A 48 9.926 14.212 2.816 1.00 52.33 H new ATOM 679 N ALA A 49 7.896 10.360 0.439 1.00 13.42 N ATOM 680 CA ALA A 49 6.992 9.260 0.207 1.00 75.13 C ATOM 681 C ALA A 49 7.554 8.029 0.896 1.00 75.12 C ATOM 682 O ALA A 49 8.740 7.949 1.233 1.00 12.25 O ATOM 683 CB ALA A 49 6.837 9.036 -1.299 1.00 11.21 C ATOM 0 H ALA A 49 8.870 10.076 0.546 1.00 13.42 H new ATOM 0 HA ALA A 49 6.004 9.475 0.615 1.00 75.13 H new ATOM 0 HB1 ALA A 49 6.154 8.205 -1.475 1.00 11.21 H new ATOM 0 HB2 ALA A 49 6.437 9.938 -1.762 1.00 11.21 H new ATOM 0 HB3 ALA A 49 7.809 8.805 -1.734 1.00 11.21 H new ATOM 689 N ARG A 50 6.697 7.033 1.054 1.00 31.45 N ATOM 690 CA ARG A 50 7.121 5.674 1.412 1.00 12.45 C ATOM 691 C ARG A 50 6.302 4.655 0.632 1.00 62.21 C ATOM 692 O ARG A 50 5.341 5.005 -0.054 1.00 40.10 O ATOM 693 CB ARG A 50 7.055 5.447 2.942 1.00 40.11 C ATOM 694 CG ARG A 50 8.334 5.832 3.713 1.00 34.12 C ATOM 695 CD ARG A 50 9.592 5.112 3.187 1.00 3.34 C ATOM 696 NE ARG A 50 10.668 4.993 4.191 1.00 73.23 N ATOM 697 CZ ARG A 50 11.647 4.073 4.139 1.00 3.31 C ATOM 698 NH1 ARG A 50 11.864 3.359 3.041 1.00 0.42 N ATOM 699 NH2 ARG A 50 12.404 3.816 5.199 1.00 15.45 N ATOM 0 H ARG A 50 5.689 7.136 0.940 1.00 31.45 H new ATOM 0 HA ARG A 50 8.166 5.542 1.133 1.00 12.45 H new ATOM 0 HB2 ARG A 50 6.220 6.021 3.344 1.00 40.11 H new ATOM 0 HB3 ARG A 50 6.838 4.395 3.129 1.00 40.11 H new ATOM 0 HG2 ARG A 50 8.483 6.910 3.644 1.00 34.12 H new ATOM 0 HG3 ARG A 50 8.201 5.595 4.769 1.00 34.12 H new ATOM 0 HD2 ARG A 50 9.314 4.115 2.845 1.00 3.34 H new ATOM 0 HD3 ARG A 50 9.973 5.651 2.320 1.00 3.34 H new ATOM 0 HE ARG A 50 10.669 5.649 4.972 1.00 73.23 H new ATOM 0 HH11 ARG A 50 11.283 3.503 2.216 1.00 0.42 H new ATOM 0 HH12 ARG A 50 12.612 2.666 3.023 1.00 0.42 H new ATOM 0 HH21 ARG A 50 12.247 4.320 6.072 1.00 15.45 H new ATOM 0 HH22 ARG A 50 13.142 3.114 5.141 1.00 15.45 H new ATOM 710 N LEU A 51 6.713 3.388 0.708 1.00 64.42 N ATOM 711 CA LEU A 51 6.006 2.278 0.082 1.00 75.23 C ATOM 712 C LEU A 51 5.777 1.245 1.147 1.00 61.23 C ATOM 713 O LEU A 51 6.685 0.968 1.940 1.00 14.01 O ATOM 714 CB LEU A 51 6.782 1.650 -1.097 1.00 15.31 C ATOM 715 CG LEU A 51 5.968 1.703 -2.406 1.00 61.32 C ATOM 716 CD1 LEU A 51 6.872 1.960 -3.598 1.00 1.12 C ATOM 717 CD2 LEU A 51 5.237 0.405 -2.727 1.00 33.15 C ATOM 0 H LEU A 51 7.554 3.105 1.211 1.00 64.42 H new ATOM 0 HA LEU A 51 5.072 2.651 -0.338 1.00 75.23 H new ATOM 0 HB2 LEU A 51 7.726 2.177 -1.234 1.00 15.31 H new ATOM 0 HB3 LEU A 51 7.026 0.614 -0.862 1.00 15.31 H new ATOM 0 HG LEU A 51 5.248 2.505 -2.241 1.00 61.32 H new ATOM 0 HD11 LEU A 51 6.273 1.993 -4.508 1.00 1.12 H new ATOM 0 HD12 LEU A 51 7.385 2.913 -3.467 1.00 1.12 H new ATOM 0 HD13 LEU A 51 7.608 1.159 -3.676 1.00 1.12 H new ATOM 0 HD21 LEU A 51 4.687 0.519 -3.661 1.00 33.15 H new ATOM 0 HD22 LEU A 51 5.960 -0.404 -2.828 1.00 33.15 H new ATOM 0 HD23 LEU A 51 4.540 0.171 -1.922 1.00 33.15 H new ATOM 728 N PHE A 52 4.587 0.664 1.100 1.00 55.43 N ATOM 729 CA PHE A 52 4.232 -0.467 1.931 1.00 0.45 C ATOM 730 C PHE A 52 3.877 -1.633 1.026 1.00 32.54 C ATOM 731 O PHE A 52 3.294 -1.450 -0.039 1.00 13.12 O ATOM 732 CB PHE A 52 3.099 -0.099 2.893 1.00 73.50 C ATOM 733 CG PHE A 52 3.358 1.189 3.644 1.00 43.22 C ATOM 734 CD1 PHE A 52 4.448 1.277 4.528 1.00 24.11 C ATOM 735 CD2 PHE A 52 2.573 2.328 3.391 1.00 22.42 C ATOM 736 CE1 PHE A 52 4.770 2.509 5.126 1.00 64.21 C ATOM 737 CE2 PHE A 52 2.898 3.551 3.992 1.00 13.15 C ATOM 738 CZ PHE A 52 3.992 3.647 4.860 1.00 61.43 C ATOM 0 H PHE A 52 3.838 0.970 0.478 1.00 55.43 H new ATOM 0 HA PHE A 52 5.074 -0.760 2.558 1.00 0.45 H new ATOM 0 HB2 PHE A 52 2.169 -0.006 2.332 1.00 73.50 H new ATOM 0 HB3 PHE A 52 2.960 -0.909 3.609 1.00 73.50 H new ATOM 0 HD1 PHE A 52 5.038 0.399 4.748 1.00 24.11 H new ATOM 0 HD2 PHE A 52 1.719 2.260 2.733 1.00 22.42 H new ATOM 0 HE1 PHE A 52 5.618 2.580 5.791 1.00 64.21 H new ATOM 0 HE2 PHE A 52 2.300 4.426 3.784 1.00 13.15 H new ATOM 0 HZ PHE A 52 4.236 4.592 5.323 1.00 61.43 H new ATOM 747 N SER A 53 4.221 -2.836 1.452 1.00 35.51 N ATOM 748 CA SER A 53 4.092 -4.077 0.714 1.00 51.22 C ATOM 749 C SER A 53 3.614 -5.117 1.715 1.00 3.25 C ATOM 750 O SER A 53 3.912 -4.987 2.907 1.00 2.12 O ATOM 751 CB SER A 53 5.483 -4.422 0.177 1.00 60.50 C ATOM 752 OG SER A 53 5.505 -4.742 -1.188 1.00 13.35 O ATOM 0 H SER A 53 4.622 -2.979 2.379 1.00 35.51 H new ATOM 0 HA SER A 53 3.393 -4.023 -0.121 1.00 51.22 H new ATOM 0 HB2 SER A 53 6.149 -3.577 0.352 1.00 60.50 H new ATOM 0 HB3 SER A 53 5.881 -5.264 0.743 1.00 60.50 H new ATOM 0 HG SER A 53 6.321 -5.245 -1.393 1.00 13.35 H new ATOM 757 N GLU A 54 2.886 -6.134 1.265 1.00 22.32 N ATOM 758 CA GLU A 54 2.547 -7.219 2.161 1.00 1.35 C ATOM 759 C GLU A 54 3.812 -7.991 2.544 1.00 1.44 C ATOM 760 O GLU A 54 4.796 -8.041 1.800 1.00 35.44 O ATOM 761 CB GLU A 54 1.411 -8.103 1.621 1.00 14.34 C ATOM 762 CG GLU A 54 1.758 -8.976 0.404 1.00 22.42 C ATOM 763 CD GLU A 54 0.850 -10.212 0.253 1.00 44.14 C ATOM 764 OE1 GLU A 54 -0.020 -10.496 1.115 1.00 22.13 O ATOM 765 OE2 GLU A 54 0.996 -10.970 -0.719 1.00 63.30 O ATOM 0 H GLU A 54 2.531 -6.225 0.313 1.00 22.32 H new ATOM 0 HA GLU A 54 2.137 -6.799 3.079 1.00 1.35 H new ATOM 0 HB2 GLU A 54 1.070 -8.755 2.426 1.00 14.34 H new ATOM 0 HB3 GLU A 54 0.572 -7.460 1.355 1.00 14.34 H new ATOM 0 HG2 GLU A 54 1.686 -8.370 -0.499 1.00 22.42 H new ATOM 0 HG3 GLU A 54 2.794 -9.304 0.486 1.00 22.42 H new ATOM 770 N ALA A 55 3.775 -8.597 3.722 1.00 72.24 N ATOM 771 CA ALA A 55 4.701 -9.606 4.196 1.00 51.21 C ATOM 772 C ALA A 55 3.929 -10.475 5.177 1.00 35.54 C ATOM 773 O ALA A 55 2.817 -10.131 5.582 1.00 41.30 O ATOM 774 CB ALA A 55 5.908 -8.957 4.883 1.00 44.42 C ATOM 0 H ALA A 55 3.054 -8.382 4.410 1.00 72.24 H new ATOM 0 HA ALA A 55 5.089 -10.199 3.368 1.00 51.21 H new ATOM 0 HB1 ALA A 55 6.590 -9.733 5.231 1.00 44.42 H new ATOM 0 HB2 ALA A 55 6.426 -8.310 4.175 1.00 44.42 H new ATOM 0 HB3 ALA A 55 5.568 -8.365 5.733 1.00 44.42 H new ATOM 780 N THR A 56 4.553 -11.559 5.595 1.00 75.42 N ATOM 781 CA THR A 56 4.074 -12.476 6.599 1.00 24.53 C ATOM 782 C THR A 56 5.271 -12.841 7.457 1.00 32.51 C ATOM 783 O THR A 56 6.419 -12.782 7.003 1.00 71.50 O ATOM 784 CB THR A 56 3.431 -13.729 5.970 1.00 42.32 C ATOM 785 OG1 THR A 56 3.877 -13.974 4.649 1.00 20.21 O ATOM 786 CG2 THR A 56 1.907 -13.625 5.955 1.00 31.52 C ATOM 0 H THR A 56 5.460 -11.835 5.218 1.00 75.42 H new ATOM 0 HA THR A 56 3.291 -12.012 7.198 1.00 24.53 H new ATOM 0 HB THR A 56 3.744 -14.562 6.600 1.00 42.32 H new ATOM 0 HG1 THR A 56 3.440 -14.779 4.300 1.00 20.21 H new ATOM 0 HG21 THR A 56 1.485 -14.524 5.505 1.00 31.52 H new ATOM 0 HG22 THR A 56 1.539 -13.523 6.976 1.00 31.52 H new ATOM 0 HG23 THR A 56 1.607 -12.753 5.373 1.00 31.52 H new ATOM 794 N ARG A 57 5.017 -13.214 8.711 1.00 35.35 N ATOM 795 CA ARG A 57 6.044 -13.818 9.557 1.00 21.45 C ATOM 796 C ARG A 57 5.983 -15.328 9.457 1.00 72.42 C ATOM 797 O ARG A 57 5.033 -15.869 8.896 1.00 40.02 O ATOM 798 CB ARG A 57 5.953 -13.315 11.000 1.00 32.15 C ATOM 799 CG ARG A 57 4.649 -13.639 11.719 1.00 21.53 C ATOM 800 CD ARG A 57 4.536 -12.874 13.043 1.00 23.55 C ATOM 801 NE ARG A 57 5.425 -13.412 14.081 1.00 32.43 N ATOM 802 CZ ARG A 57 5.043 -14.103 15.165 1.00 15.21 C ATOM 803 NH1 ARG A 57 3.758 -14.263 15.475 1.00 31.44 N ATOM 804 NH2 ARG A 57 5.983 -14.661 15.917 1.00 2.23 N ATOM 0 H ARG A 57 4.109 -13.108 9.163 1.00 35.35 H new ATOM 0 HA ARG A 57 7.023 -13.507 9.194 1.00 21.45 H new ATOM 0 HB2 ARG A 57 6.779 -13.742 11.569 1.00 32.15 H new ATOM 0 HB3 ARG A 57 6.091 -12.234 11.000 1.00 32.15 H new ATOM 0 HG2 ARG A 57 3.805 -13.386 11.077 1.00 21.53 H new ATOM 0 HG3 ARG A 57 4.594 -14.711 11.910 1.00 21.53 H new ATOM 0 HD2 ARG A 57 4.774 -11.824 12.874 1.00 23.55 H new ATOM 0 HD3 ARG A 57 3.505 -12.914 13.395 1.00 23.55 H new ATOM 0 HE ARG A 57 6.425 -13.245 13.967 1.00 32.43 H new ATOM 0 HH11 ARG A 57 3.036 -13.855 14.882 1.00 31.44 H new ATOM 0 HH12 ARG A 57 3.496 -14.794 16.306 1.00 31.44 H new ATOM 0 HH21 ARG A 57 6.966 -14.558 15.664 1.00 2.23 H new ATOM 0 HH22 ARG A 57 5.723 -15.193 16.748 1.00 2.23 H new ATOM 815 N GLY A 58 6.918 -16.000 10.126 1.00 43.01 N ATOM 816 CA GLY A 58 7.017 -17.452 10.187 1.00 12.23 C ATOM 817 C GLY A 58 5.781 -18.122 10.784 1.00 14.13 C ATOM 818 O GLY A 58 5.653 -19.339 10.678 1.00 73.13 O ATOM 0 H GLY A 58 7.651 -15.530 10.658 1.00 43.01 H new ATOM 0 HA2 GLY A 58 7.181 -17.840 9.182 1.00 12.23 H new ATOM 0 HA3 GLY A 58 7.890 -17.724 10.780 1.00 12.23 H new ATOM 822 N ASP A 59 4.876 -17.354 11.397 1.00 33.24 N ATOM 823 CA ASP A 59 3.608 -17.822 11.949 1.00 75.23 C ATOM 824 C ASP A 59 2.405 -17.426 11.072 1.00 15.11 C ATOM 825 O ASP A 59 1.258 -17.532 11.499 1.00 32.32 O ATOM 826 CB ASP A 59 3.470 -17.347 13.399 1.00 71.44 C ATOM 827 CG ASP A 59 2.466 -18.205 14.169 1.00 2.11 C ATOM 828 OD1 ASP A 59 2.543 -19.449 14.050 1.00 14.25 O ATOM 829 OD2 ASP A 59 1.594 -17.663 14.889 1.00 62.14 O ATOM 0 H ASP A 59 5.015 -16.352 11.526 1.00 33.24 H new ATOM 0 HA ASP A 59 3.611 -18.912 11.950 1.00 75.23 H new ATOM 0 HB2 ASP A 59 4.441 -17.389 13.892 1.00 71.44 H new ATOM 0 HB3 ASP A 59 3.149 -16.305 13.414 1.00 71.44 H new ATOM 833 N GLY A 60 2.654 -16.937 9.851 1.00 55.04 N ATOM 834 CA GLY A 60 1.646 -16.555 8.867 1.00 11.45 C ATOM 835 C GLY A 60 0.934 -15.240 9.183 1.00 53.43 C ATOM 836 O GLY A 60 -0.109 -14.948 8.596 1.00 4.23 O ATOM 0 H GLY A 60 3.605 -16.792 9.512 1.00 55.04 H new ATOM 0 HA2 GLY A 60 2.121 -16.473 7.889 1.00 11.45 H new ATOM 0 HA3 GLY A 60 0.904 -17.350 8.795 1.00 11.45 H new ATOM 840 N GLU A 61 1.463 -14.432 10.104 1.00 15.04 N ATOM 841 CA GLU A 61 0.813 -13.192 10.524 1.00 52.33 C ATOM 842 C GLU A 61 1.165 -12.154 9.471 1.00 31.34 C ATOM 843 O GLU A 61 2.357 -11.889 9.297 1.00 35.44 O ATOM 844 CB GLU A 61 1.339 -12.808 11.914 1.00 75.51 C ATOM 845 CG GLU A 61 0.390 -12.038 12.829 1.00 53.22 C ATOM 846 CD GLU A 61 0.393 -12.670 14.234 1.00 13.33 C ATOM 847 OE1 GLU A 61 1.489 -12.768 14.841 1.00 12.15 O ATOM 848 OE2 GLU A 61 -0.679 -13.081 14.730 1.00 0.11 O ATOM 0 H GLU A 61 2.348 -14.618 10.576 1.00 15.04 H new ATOM 0 HA GLU A 61 -0.270 -13.282 10.603 1.00 52.33 H new ATOM 0 HB2 GLU A 61 1.636 -13.722 12.428 1.00 75.51 H new ATOM 0 HB3 GLU A 61 2.240 -12.210 11.781 1.00 75.51 H new ATOM 0 HG2 GLU A 61 0.696 -10.994 12.889 1.00 53.22 H new ATOM 0 HG3 GLU A 61 -0.619 -12.051 12.416 1.00 53.22 H new ATOM 853 N ARG A 62 0.190 -11.663 8.701 1.00 35.33 N ATOM 854 CA ARG A 62 0.462 -10.692 7.643 1.00 21.13 C ATOM 855 C ARG A 62 0.618 -9.302 8.252 1.00 13.33 C ATOM 856 O ARG A 62 -0.120 -8.932 9.167 1.00 11.44 O ATOM 857 CB ARG A 62 -0.653 -10.724 6.591 1.00 63.12 C ATOM 858 CG ARG A 62 -0.515 -9.674 5.474 1.00 15.11 C ATOM 859 CD ARG A 62 -1.688 -9.700 4.491 1.00 21.23 C ATOM 860 NE ARG A 62 -1.517 -10.716 3.444 1.00 52.24 N ATOM 861 CZ ARG A 62 -2.324 -11.737 3.144 1.00 34.44 C ATOM 862 NH1 ARG A 62 -3.324 -12.088 3.946 1.00 1.03 N ATOM 863 NH2 ARG A 62 -2.106 -12.409 2.017 1.00 55.34 N ATOM 0 H ARG A 62 -0.792 -11.923 8.792 1.00 35.33 H new ATOM 0 HA ARG A 62 1.394 -10.952 7.141 1.00 21.13 H new ATOM 0 HB2 ARG A 62 -0.678 -11.715 6.138 1.00 63.12 H new ATOM 0 HB3 ARG A 62 -1.610 -10.578 7.092 1.00 63.12 H new ATOM 0 HG2 ARG A 62 -0.442 -8.682 5.920 1.00 15.11 H new ATOM 0 HG3 ARG A 62 0.413 -9.848 4.930 1.00 15.11 H new ATOM 0 HD2 ARG A 62 -2.611 -9.895 5.036 1.00 21.23 H new ATOM 0 HD3 ARG A 62 -1.793 -8.719 4.028 1.00 21.23 H new ATOM 0 HE ARG A 62 -0.675 -10.631 2.874 1.00 52.24 H new ATOM 0 HH11 ARG A 62 -3.488 -11.574 4.812 1.00 1.03 H new ATOM 0 HH12 ARG A 62 -3.927 -12.871 3.696 1.00 1.03 H new ATOM 0 HH21 ARG A 62 -1.336 -12.141 1.404 1.00 55.34 H new ATOM 0 HH22 ARG A 62 -2.709 -13.193 1.766 1.00 55.34 H new ATOM 874 N PHE A 63 1.536 -8.519 7.700 1.00 63.53 N ATOM 875 CA PHE A 63 1.841 -7.143 8.072 1.00 34.53 C ATOM 876 C PHE A 63 2.127 -6.321 6.818 1.00 74.40 C ATOM 877 O PHE A 63 2.121 -6.859 5.707 1.00 35.22 O ATOM 878 CB PHE A 63 3.001 -7.091 9.084 1.00 11.41 C ATOM 879 CG PHE A 63 4.301 -7.797 8.723 1.00 61.21 C ATOM 880 CD1 PHE A 63 4.431 -9.174 9.000 1.00 42.04 C ATOM 881 CD2 PHE A 63 5.428 -7.074 8.260 1.00 13.42 C ATOM 882 CE1 PHE A 63 5.687 -9.794 8.889 1.00 3.13 C ATOM 883 CE2 PHE A 63 6.674 -7.715 8.140 1.00 11.12 C ATOM 884 CZ PHE A 63 6.808 -9.071 8.464 1.00 71.24 C ATOM 0 H PHE A 63 2.123 -8.848 6.934 1.00 63.53 H new ATOM 0 HA PHE A 63 0.976 -6.703 8.568 1.00 34.53 H new ATOM 0 HB2 PHE A 63 3.232 -6.043 9.272 1.00 11.41 H new ATOM 0 HB3 PHE A 63 2.643 -7.512 10.023 1.00 11.41 H new ATOM 0 HD1 PHE A 63 3.567 -9.750 9.297 1.00 42.04 H new ATOM 0 HD2 PHE A 63 5.330 -6.031 7.999 1.00 13.42 H new ATOM 0 HE1 PHE A 63 5.789 -10.841 9.134 1.00 3.13 H new ATOM 0 HE2 PHE A 63 7.533 -7.158 7.796 1.00 11.12 H new ATOM 0 HZ PHE A 63 7.770 -9.556 8.386 1.00 71.24 H new ATOM 893 N TRP A 64 2.344 -5.017 6.986 1.00 2.12 N ATOM 894 CA TRP A 64 2.757 -4.116 5.925 1.00 13.22 C ATOM 895 C TRP A 64 4.207 -3.741 6.163 1.00 12.24 C ATOM 896 O TRP A 64 4.525 -3.022 7.104 1.00 52.11 O ATOM 897 CB TRP A 64 1.839 -2.900 5.888 1.00 44.24 C ATOM 898 CG TRP A 64 0.445 -3.215 5.446 1.00 23.44 C ATOM 899 CD1 TRP A 64 -0.630 -3.315 6.254 1.00 24.41 C ATOM 900 CD2 TRP A 64 -0.036 -3.536 4.106 1.00 64.22 C ATOM 901 NE1 TRP A 64 -1.750 -3.655 5.508 1.00 15.01 N ATOM 902 CE2 TRP A 64 -1.431 -3.840 4.174 1.00 62.33 C ATOM 903 CE3 TRP A 64 0.584 -3.662 2.851 1.00 15.34 C ATOM 904 CZ2 TRP A 64 -2.172 -4.237 3.045 1.00 35.12 C ATOM 905 CZ3 TRP A 64 -0.140 -4.087 1.729 1.00 34.14 C ATOM 906 CH2 TRP A 64 -1.516 -4.353 1.803 1.00 55.44 C ATOM 0 H TRP A 64 2.233 -4.552 7.887 1.00 2.12 H new ATOM 0 HA TRP A 64 2.679 -4.596 4.949 1.00 13.22 H new ATOM 0 HB2 TRP A 64 1.804 -2.452 6.881 1.00 44.24 H new ATOM 0 HB3 TRP A 64 2.264 -2.154 5.216 1.00 44.24 H new ATOM 0 HD1 TRP A 64 -0.621 -3.155 7.322 1.00 24.41 H new ATOM 0 HE1 TRP A 64 -2.689 -3.756 5.894 1.00 15.01 H new ATOM 0 HE3 TRP A 64 1.633 -3.428 2.750 1.00 15.34 H new ATOM 0 HZ2 TRP A 64 -3.228 -4.450 3.129 1.00 35.12 H new ATOM 0 HZ3 TRP A 64 0.372 -4.213 0.787 1.00 34.14 H new ATOM 0 HH2 TRP A 64 -2.065 -4.643 0.919 1.00 55.44 H new ATOM 916 N MET A 65 5.107 -4.300 5.372 1.00 3.03 N ATOM 917 CA MET A 65 6.528 -4.013 5.441 1.00 42.24 C ATOM 918 C MET A 65 6.923 -2.905 4.470 1.00 73.32 C ATOM 919 O MET A 65 6.127 -2.523 3.611 1.00 73.41 O ATOM 920 CB MET A 65 7.308 -5.300 5.194 1.00 35.14 C ATOM 921 CG MET A 65 7.152 -5.854 3.772 1.00 42.02 C ATOM 922 SD MET A 65 8.631 -6.648 3.070 1.00 4.04 S ATOM 923 CE MET A 65 9.357 -7.489 4.507 1.00 60.33 C ATOM 0 H MET A 65 4.865 -4.979 4.650 1.00 3.03 H new ATOM 0 HA MET A 65 6.773 -3.642 6.436 1.00 42.24 H new ATOM 0 HB2 MET A 65 8.365 -5.117 5.389 1.00 35.14 H new ATOM 0 HB3 MET A 65 6.979 -6.056 5.907 1.00 35.14 H new ATOM 0 HG2 MET A 65 6.338 -6.579 3.771 1.00 42.02 H new ATOM 0 HG3 MET A 65 6.853 -5.038 3.114 1.00 42.02 H new ATOM 0 HE1 MET A 65 9.989 -8.309 4.167 1.00 60.33 H new ATOM 0 HE2 MET A 65 9.957 -6.781 5.078 1.00 60.33 H new ATOM 0 HE3 MET A 65 8.561 -7.882 5.139 1.00 60.33 H new ATOM 931 N GLN A 66 8.169 -2.431 4.555 1.00 44.33 N ATOM 932 CA GLN A 66 8.728 -1.411 3.682 1.00 33.42 C ATOM 933 C GLN A 66 9.973 -1.953 2.949 1.00 41.20 C ATOM 934 O GLN A 66 11.098 -1.566 3.275 1.00 74.44 O ATOM 935 CB GLN A 66 9.086 -0.164 4.505 1.00 62.32 C ATOM 936 CG GLN A 66 7.982 0.540 5.305 1.00 44.00 C ATOM 937 CD GLN A 66 8.490 1.790 6.040 1.00 4.03 C ATOM 938 OE1 GLN A 66 7.767 2.453 6.781 1.00 75.54 O ATOM 939 NE2 GLN A 66 9.724 2.204 5.819 1.00 12.21 N ATOM 0 H GLN A 66 8.832 -2.761 5.257 1.00 44.33 H new ATOM 0 HA GLN A 66 7.985 -1.138 2.933 1.00 33.42 H new ATOM 0 HB2 GLN A 66 9.872 -0.446 5.206 1.00 62.32 H new ATOM 0 HB3 GLN A 66 9.516 0.569 3.822 1.00 62.32 H new ATOM 0 HG2 GLN A 66 7.174 0.823 4.630 1.00 44.00 H new ATOM 0 HG3 GLN A 66 7.563 -0.158 6.030 1.00 44.00 H new ATOM 0 HE21 GLN A 66 10.340 1.668 5.207 1.00 12.21 H new ATOM 0 HE22 GLN A 66 10.062 3.060 6.260 1.00 12.21 H new ATOM 946 N PRO A 67 9.805 -2.798 1.919 1.00 52.12 N ATOM 947 CA PRO A 67 10.899 -3.517 1.267 1.00 43.31 C ATOM 948 C PRO A 67 11.759 -2.642 0.355 1.00 15.02 C ATOM 949 O PRO A 67 12.783 -3.107 -0.154 1.00 0.01 O ATOM 950 CB PRO A 67 10.211 -4.562 0.397 1.00 52.01 C ATOM 951 CG PRO A 67 8.912 -3.869 0.019 1.00 73.22 C ATOM 952 CD PRO A 67 8.539 -3.136 1.299 1.00 35.43 C ATOM 0 HA PRO A 67 11.570 -3.916 2.028 1.00 43.31 H new ATOM 0 HB2 PRO A 67 10.806 -4.816 -0.480 1.00 52.01 H new ATOM 0 HB3 PRO A 67 10.033 -5.490 0.941 1.00 52.01 H new ATOM 0 HG2 PRO A 67 9.048 -3.182 -0.816 1.00 73.22 H new ATOM 0 HG3 PRO A 67 8.144 -4.583 -0.277 1.00 73.22 H new ATOM 0 HD2 PRO A 67 7.953 -2.242 1.086 1.00 35.43 H new ATOM 0 HD3 PRO A 67 7.935 -3.765 1.953 1.00 35.43 H new ATOM 957 N VAL A 68 11.307 -1.424 0.049 1.00 32.13 N ATOM 958 CA VAL A 68 12.126 -0.429 -0.620 1.00 43.04 C ATOM 959 C VAL A 68 13.061 0.120 0.451 1.00 64.24 C ATOM 960 O VAL A 68 12.641 0.927 1.283 1.00 62.31 O ATOM 961 CB VAL A 68 11.263 0.666 -1.288 1.00 12.22 C ATOM 962 CG1 VAL A 68 12.141 1.567 -2.173 1.00 44.11 C ATOM 963 CG2 VAL A 68 10.162 0.055 -2.163 1.00 52.40 C ATOM 0 H VAL A 68 10.361 -1.106 0.261 1.00 32.13 H new ATOM 0 HA VAL A 68 12.698 -0.860 -1.442 1.00 43.04 H new ATOM 0 HB VAL A 68 10.803 1.249 -0.490 1.00 12.22 H new ATOM 0 HG11 VAL A 68 11.522 2.334 -2.638 1.00 44.11 H new ATOM 0 HG12 VAL A 68 12.908 2.041 -1.561 1.00 44.11 H new ATOM 0 HG13 VAL A 68 12.616 0.965 -2.948 1.00 44.11 H new ATOM 0 HG21 VAL A 68 9.574 0.852 -2.618 1.00 52.40 H new ATOM 0 HG22 VAL A 68 10.615 -0.553 -2.946 1.00 52.40 H new ATOM 0 HG23 VAL A 68 9.513 -0.569 -1.548 1.00 52.40 H new ATOM 973 N ARG A 69 14.333 -0.291 0.448 1.00 12.31 N ATOM 974 CA ARG A 69 15.357 0.271 1.332 1.00 23.31 C ATOM 975 C ARG A 69 15.799 1.658 0.832 1.00 30.14 C ATOM 976 O ARG A 69 16.985 1.967 0.690 1.00 2.05 O ATOM 977 CB ARG A 69 16.493 -0.750 1.484 1.00 23.41 C ATOM 978 CG ARG A 69 17.420 -0.472 2.679 1.00 53.23 C ATOM 979 CD ARG A 69 18.830 -0.154 2.186 1.00 65.50 C ATOM 980 NE ARG A 69 19.718 0.247 3.287 1.00 32.14 N ATOM 981 CZ ARG A 69 20.926 0.810 3.184 1.00 53.13 C ATOM 982 NH1 ARG A 69 21.546 0.877 2.014 1.00 10.11 N ATOM 983 NH2 ARG A 69 21.496 1.330 4.262 1.00 13.12 N ATOM 0 H ARG A 69 14.681 -1.024 -0.169 1.00 12.31 H new ATOM 0 HA ARG A 69 14.961 0.449 2.332 1.00 23.31 H new ATOM 0 HB2 ARG A 69 16.062 -1.745 1.594 1.00 23.41 H new ATOM 0 HB3 ARG A 69 17.086 -0.758 0.570 1.00 23.41 H new ATOM 0 HG2 ARG A 69 17.033 0.363 3.263 1.00 53.23 H new ATOM 0 HG3 ARG A 69 17.444 -1.338 3.340 1.00 53.23 H new ATOM 0 HD2 ARG A 69 19.245 -1.028 1.685 1.00 65.50 H new ATOM 0 HD3 ARG A 69 18.784 0.646 1.447 1.00 65.50 H new ATOM 0 HE ARG A 69 19.375 0.077 4.232 1.00 32.14 H new ATOM 0 HH11 ARG A 69 21.101 0.496 1.179 1.00 10.11 H new ATOM 0 HH12 ARG A 69 22.468 1.309 1.949 1.00 10.11 H new ATOM 0 HH21 ARG A 69 21.013 1.298 5.160 1.00 13.12 H new ATOM 0 HH22 ARG A 69 22.418 1.762 4.194 1.00 13.12 H new ATOM 994 N SER A 70 14.828 2.492 0.491 1.00 40.14 N ATOM 995 CA SER A 70 14.950 3.867 0.066 1.00 54.44 C ATOM 996 C SER A 70 13.605 4.576 0.253 1.00 62.22 C ATOM 997 O SER A 70 12.553 3.955 0.427 1.00 14.04 O ATOM 998 CB SER A 70 15.429 3.933 -1.384 1.00 61.21 C ATOM 999 OG SER A 70 15.891 5.238 -1.686 1.00 20.13 O ATOM 0 H SER A 70 13.853 2.192 0.508 1.00 40.14 H new ATOM 0 HA SER A 70 15.694 4.378 0.676 1.00 54.44 H new ATOM 0 HB2 SER A 70 16.229 3.210 -1.544 1.00 61.21 H new ATOM 0 HB3 SER A 70 14.615 3.662 -2.057 1.00 61.21 H new ATOM 0 HG SER A 70 15.771 5.414 -2.643 1.00 20.13 H new ATOM 1004 N THR A 71 13.643 5.901 0.182 1.00 42.14 N ATOM 1005 CA THR A 71 12.521 6.799 0.424 1.00 54.21 C ATOM 1006 C THR A 71 12.348 7.765 -0.769 1.00 20.25 C ATOM 1007 O THR A 71 11.509 8.662 -0.739 1.00 0.13 O ATOM 1008 CB THR A 71 12.671 7.380 1.842 1.00 34.45 C ATOM 1009 OG1 THR A 71 11.466 7.841 2.415 1.00 4.45 O ATOM 1010 CG2 THR A 71 13.720 8.462 1.820 1.00 21.54 C ATOM 0 H THR A 71 14.498 6.402 -0.057 1.00 42.14 H new ATOM 0 HA THR A 71 11.551 6.303 0.446 1.00 54.21 H new ATOM 0 HB THR A 71 12.984 6.562 2.491 1.00 34.45 H new ATOM 0 HG1 THR A 71 10.744 7.775 1.756 1.00 4.45 H new ATOM 0 HG21 THR A 71 13.833 8.880 2.820 1.00 21.54 H new ATOM 0 HG22 THR A 71 14.671 8.041 1.493 1.00 21.54 H new ATOM 0 HG23 THR A 71 13.416 9.250 1.130 1.00 21.54 H new ATOM 1018 N PHE A 72 13.146 7.607 -1.832 1.00 55.14 N ATOM 1019 CA PHE A 72 13.128 8.520 -2.964 1.00 11.25 C ATOM 1020 C PHE A 72 11.958 8.237 -3.897 1.00 4.01 C ATOM 1021 O PHE A 72 11.760 7.090 -4.282 1.00 62.20 O ATOM 1022 CB PHE A 72 14.458 8.424 -3.727 1.00 60.24 C ATOM 1023 CG PHE A 72 15.277 9.673 -3.525 1.00 1.25 C ATOM 1024 CD1 PHE A 72 14.815 10.883 -4.078 1.00 40.14 C ATOM 1025 CD2 PHE A 72 16.421 9.659 -2.707 1.00 44.32 C ATOM 1026 CE1 PHE A 72 15.483 12.079 -3.791 1.00 52.14 C ATOM 1027 CE2 PHE A 72 17.092 10.860 -2.426 1.00 75.21 C ATOM 1028 CZ PHE A 72 16.616 12.067 -2.963 1.00 1.43 C ATOM 0 H PHE A 72 13.817 6.844 -1.925 1.00 55.14 H new ATOM 0 HA PHE A 72 13.001 9.533 -2.581 1.00 11.25 H new ATOM 0 HB2 PHE A 72 15.019 7.555 -3.383 1.00 60.24 H new ATOM 0 HB3 PHE A 72 14.264 8.278 -4.790 1.00 60.24 H new ATOM 0 HD1 PHE A 72 13.948 10.888 -4.722 1.00 40.14 H new ATOM 0 HD2 PHE A 72 16.782 8.728 -2.296 1.00 44.32 H new ATOM 0 HE1 PHE A 72 15.127 13.010 -4.206 1.00 52.14 H new ATOM 0 HE2 PHE A 72 17.971 10.855 -1.799 1.00 75.21 H new ATOM 0 HZ PHE A 72 17.125 12.992 -2.737 1.00 1.43 H new ATOM 1037 N GLU A 73 11.257 9.280 -4.340 1.00 63.34 N ATOM 1038 CA GLU A 73 10.190 9.234 -5.334 1.00 4.25 C ATOM 1039 C GLU A 73 10.470 8.260 -6.492 1.00 60.50 C ATOM 1040 O GLU A 73 9.649 7.366 -6.669 1.00 64.41 O ATOM 1041 CB GLU A 73 9.887 10.667 -5.811 1.00 32.52 C ATOM 1042 CG GLU A 73 8.839 10.768 -6.929 1.00 71.11 C ATOM 1043 CD GLU A 73 8.807 12.196 -7.471 1.00 11.44 C ATOM 1044 OE1 GLU A 73 8.146 13.053 -6.848 1.00 73.11 O ATOM 1045 OE2 GLU A 73 9.520 12.442 -8.477 1.00 23.31 O ATOM 0 H GLU A 73 11.428 10.225 -3.997 1.00 63.34 H new ATOM 0 HA GLU A 73 9.298 8.825 -4.860 1.00 4.25 H new ATOM 0 HB2 GLU A 73 9.545 11.254 -4.958 1.00 32.52 H new ATOM 0 HB3 GLU A 73 10.814 11.122 -6.160 1.00 32.52 H new ATOM 0 HG2 GLU A 73 9.078 10.069 -7.730 1.00 71.11 H new ATOM 0 HG3 GLU A 73 7.857 10.491 -6.547 1.00 71.11 H new ATOM 1050 N PRO A 74 11.565 8.361 -7.278 1.00 54.21 N ATOM 1051 CA PRO A 74 11.803 7.439 -8.389 1.00 11.05 C ATOM 1052 C PRO A 74 12.016 5.993 -7.934 1.00 55.02 C ATOM 1053 O PRO A 74 11.622 5.068 -8.639 1.00 15.35 O ATOM 1054 CB PRO A 74 13.034 7.978 -9.124 1.00 61.12 C ATOM 1055 CG PRO A 74 13.763 8.799 -8.064 1.00 14.41 C ATOM 1056 CD PRO A 74 12.613 9.371 -7.240 1.00 34.31 C ATOM 0 HA PRO A 74 10.927 7.397 -9.036 1.00 11.05 H new ATOM 0 HB2 PRO A 74 13.659 7.169 -9.503 1.00 61.12 H new ATOM 0 HB3 PRO A 74 12.752 8.591 -9.980 1.00 61.12 H new ATOM 0 HG2 PRO A 74 14.428 8.182 -7.459 1.00 14.41 H new ATOM 0 HG3 PRO A 74 14.374 9.585 -8.509 1.00 14.41 H new ATOM 0 HD2 PRO A 74 12.927 9.572 -6.216 1.00 34.31 H new ATOM 0 HD3 PRO A 74 12.263 10.315 -7.658 1.00 34.31 H new ATOM 1061 N ASP A 75 12.613 5.781 -6.761 1.00 31.45 N ATOM 1062 CA ASP A 75 12.883 4.448 -6.233 1.00 14.42 C ATOM 1063 C ASP A 75 11.549 3.789 -5.886 1.00 15.01 C ATOM 1064 O ASP A 75 11.374 2.578 -6.026 1.00 3.31 O ATOM 1065 CB ASP A 75 13.755 4.498 -4.964 1.00 2.45 C ATOM 1066 CG ASP A 75 15.165 5.067 -5.133 1.00 44.31 C ATOM 1067 OD1 ASP A 75 15.461 5.812 -6.087 1.00 74.14 O ATOM 1068 OD2 ASP A 75 15.989 4.821 -4.220 1.00 23.15 O ATOM 0 H ASP A 75 12.924 6.535 -6.149 1.00 31.45 H new ATOM 0 HA ASP A 75 13.424 3.882 -6.991 1.00 14.42 H new ATOM 0 HB2 ASP A 75 13.234 5.093 -4.214 1.00 2.45 H new ATOM 0 HB3 ASP A 75 13.839 3.486 -4.567 1.00 2.45 H new ATOM 1072 N LEU A 76 10.610 4.600 -5.402 1.00 0.43 N ATOM 1073 CA LEU A 76 9.292 4.207 -4.951 1.00 20.53 C ATOM 1074 C LEU A 76 8.391 3.965 -6.162 1.00 63.13 C ATOM 1075 O LEU A 76 7.879 2.864 -6.328 1.00 75.50 O ATOM 1076 CB LEU A 76 8.743 5.292 -4.004 1.00 52.01 C ATOM 1077 CG LEU A 76 9.545 5.410 -2.690 1.00 52.43 C ATOM 1078 CD1 LEU A 76 9.131 6.672 -1.950 1.00 33.31 C ATOM 1079 CD2 LEU A 76 9.321 4.244 -1.728 1.00 14.43 C ATOM 0 H LEU A 76 10.765 5.604 -5.312 1.00 0.43 H new ATOM 0 HA LEU A 76 9.332 3.272 -4.391 1.00 20.53 H new ATOM 0 HB2 LEU A 76 8.754 6.254 -4.517 1.00 52.01 H new ATOM 0 HB3 LEU A 76 7.702 5.068 -3.769 1.00 52.01 H new ATOM 0 HG LEU A 76 10.594 5.421 -2.986 1.00 52.43 H new ATOM 0 HD11 LEU A 76 9.699 6.753 -1.023 1.00 33.31 H new ATOM 0 HD12 LEU A 76 9.331 7.542 -2.575 1.00 33.31 H new ATOM 0 HD13 LEU A 76 8.066 6.627 -1.721 1.00 33.31 H new ATOM 0 HD21 LEU A 76 9.916 4.396 -0.828 1.00 14.43 H new ATOM 0 HD22 LEU A 76 8.266 4.191 -1.460 1.00 14.43 H new ATOM 0 HD23 LEU A 76 9.621 3.313 -2.209 1.00 14.43 H new ATOM 1090 N ASP A 77 8.237 4.966 -7.025 1.00 54.03 N ATOM 1091 CA ASP A 77 7.499 4.903 -8.286 1.00 15.31 C ATOM 1092 C ASP A 77 7.906 3.679 -9.100 1.00 75.12 C ATOM 1093 O ASP A 77 7.061 2.849 -9.432 1.00 0.12 O ATOM 1094 CB ASP A 77 7.775 6.191 -9.065 1.00 71.14 C ATOM 1095 CG ASP A 77 7.093 6.209 -10.429 1.00 13.25 C ATOM 1096 OD1 ASP A 77 5.951 6.712 -10.519 1.00 40.43 O ATOM 1097 OD2 ASP A 77 7.757 5.843 -11.426 1.00 12.13 O ATOM 0 H ASP A 77 8.642 5.887 -6.857 1.00 54.03 H new ATOM 0 HA ASP A 77 6.432 4.811 -8.084 1.00 15.31 H new ATOM 0 HB2 ASP A 77 7.433 7.045 -8.481 1.00 71.14 H new ATOM 0 HB3 ASP A 77 8.851 6.307 -9.199 1.00 71.14 H new ATOM 1101 N ALA A 78 9.208 3.512 -9.355 1.00 42.44 N ATOM 1102 CA ALA A 78 9.697 2.393 -10.138 1.00 1.42 C ATOM 1103 C ALA A 78 9.367 1.057 -9.494 1.00 3.01 C ATOM 1104 O ALA A 78 9.148 0.102 -10.231 1.00 51.01 O ATOM 1105 CB ALA A 78 11.203 2.486 -10.337 1.00 62.42 C ATOM 0 H ALA A 78 9.937 4.145 -9.025 1.00 42.44 H new ATOM 0 HA ALA A 78 9.193 2.447 -11.103 1.00 1.42 H new ATOM 0 HB1 ALA A 78 11.545 1.636 -10.927 1.00 62.42 H new ATOM 0 HB2 ALA A 78 11.444 3.411 -10.860 1.00 62.42 H new ATOM 0 HB3 ALA A 78 11.699 2.478 -9.367 1.00 62.42 H new ATOM 1111 N TYR A 79 9.316 0.958 -8.159 1.00 33.12 N ATOM 1112 CA TYR A 79 8.945 -0.286 -7.494 1.00 61.23 C ATOM 1113 C TYR A 79 7.601 -0.762 -8.043 1.00 75.30 C ATOM 1114 O TYR A 79 7.480 -1.888 -8.521 1.00 64.22 O ATOM 1115 CB TYR A 79 8.860 -0.107 -5.971 1.00 61.51 C ATOM 1116 CG TYR A 79 8.774 -1.427 -5.249 1.00 34.44 C ATOM 1117 CD1 TYR A 79 9.942 -2.109 -4.864 1.00 54.21 C ATOM 1118 CD2 TYR A 79 7.514 -2.007 -5.049 1.00 75.51 C ATOM 1119 CE1 TYR A 79 9.853 -3.361 -4.226 1.00 22.54 C ATOM 1120 CE2 TYR A 79 7.431 -3.306 -4.528 1.00 55.44 C ATOM 1121 CZ TYR A 79 8.592 -3.979 -4.091 1.00 71.23 C ATOM 1122 OH TYR A 79 8.502 -5.225 -3.558 1.00 2.44 O ATOM 0 H TYR A 79 9.528 1.727 -7.524 1.00 33.12 H new ATOM 0 HA TYR A 79 9.715 -1.031 -7.694 1.00 61.23 H new ATOM 0 HB2 TYR A 79 9.735 0.441 -5.621 1.00 61.51 H new ATOM 0 HB3 TYR A 79 7.987 0.498 -5.726 1.00 61.51 H new ATOM 0 HD1 TYR A 79 10.910 -1.671 -5.058 1.00 54.21 H new ATOM 0 HD2 TYR A 79 6.616 -1.459 -5.294 1.00 75.51 H new ATOM 0 HE1 TYR A 79 10.741 -3.843 -3.844 1.00 22.54 H new ATOM 0 HE2 TYR A 79 6.471 -3.796 -4.461 1.00 55.44 H new ATOM 0 HH TYR A 79 7.563 -5.504 -3.535 1.00 2.44 H new ATOM 1131 N ALA A 80 6.608 0.126 -8.016 1.00 75.50 N ATOM 1132 CA ALA A 80 5.262 -0.155 -8.467 1.00 14.03 C ATOM 1133 C ALA A 80 5.180 -0.457 -9.961 1.00 44.44 C ATOM 1134 O ALA A 80 4.274 -1.177 -10.381 1.00 1.04 O ATOM 1135 CB ALA A 80 4.376 1.031 -8.109 1.00 0.24 C ATOM 0 H ALA A 80 6.728 1.078 -7.671 1.00 75.50 H new ATOM 0 HA ALA A 80 4.918 -1.059 -7.963 1.00 14.03 H new ATOM 0 HB1 ALA A 80 3.356 0.837 -8.442 1.00 0.24 H new ATOM 0 HB2 ALA A 80 4.384 1.178 -7.029 1.00 0.24 H new ATOM 0 HB3 ALA A 80 4.753 1.928 -8.600 1.00 0.24 H new ATOM 1141 N GLU A 81 6.105 0.056 -10.773 1.00 4.25 N ATOM 1142 CA GLU A 81 6.143 -0.262 -12.190 1.00 22.51 C ATOM 1143 C GLU A 81 6.722 -1.665 -12.372 1.00 52.22 C ATOM 1144 O GLU A 81 6.166 -2.481 -13.109 1.00 0.11 O ATOM 1145 CB GLU A 81 6.974 0.762 -12.976 1.00 24.21 C ATOM 1146 CG GLU A 81 6.368 2.170 -12.960 1.00 31.21 C ATOM 1147 CD GLU A 81 7.019 3.071 -14.010 1.00 15.02 C ATOM 1148 OE1 GLU A 81 8.267 3.181 -14.038 1.00 33.35 O ATOM 1149 OE2 GLU A 81 6.279 3.634 -14.848 1.00 52.33 O ATOM 0 H GLU A 81 6.838 0.695 -10.466 1.00 4.25 H new ATOM 0 HA GLU A 81 5.126 -0.226 -12.582 1.00 22.51 H new ATOM 0 HB2 GLU A 81 7.980 0.801 -12.558 1.00 24.21 H new ATOM 0 HB3 GLU A 81 7.070 0.426 -14.009 1.00 24.21 H new ATOM 0 HG2 GLU A 81 5.296 2.108 -13.146 1.00 31.21 H new ATOM 0 HG3 GLU A 81 6.495 2.611 -11.971 1.00 31.21 H new ATOM 1154 N ARG A 82 7.854 -1.932 -11.720 1.00 73.23 N ATOM 1155 CA ARG A 82 8.681 -3.105 -11.950 1.00 24.35 C ATOM 1156 C ARG A 82 8.030 -4.351 -11.391 1.00 73.23 C ATOM 1157 O ARG A 82 8.006 -5.373 -12.072 1.00 22.44 O ATOM 1158 CB ARG A 82 10.064 -2.927 -11.294 1.00 51.01 C ATOM 1159 CG ARG A 82 10.868 -1.714 -11.777 1.00 34.11 C ATOM 1160 CD ARG A 82 12.052 -2.101 -12.653 1.00 44.30 C ATOM 1161 NE ARG A 82 12.813 -0.921 -13.096 1.00 40.22 N ATOM 1162 CZ ARG A 82 13.929 -0.942 -13.833 1.00 3.45 C ATOM 1163 NH1 ARG A 82 14.410 -2.107 -14.263 1.00 32.14 N ATOM 1164 NH2 ARG A 82 14.558 0.190 -14.122 1.00 72.52 N ATOM 0 H ARG A 82 8.227 -1.317 -10.997 1.00 73.23 H new ATOM 0 HA ARG A 82 8.796 -3.217 -13.028 1.00 24.35 H new ATOM 0 HB2 ARG A 82 9.928 -2.846 -10.216 1.00 51.01 H new ATOM 0 HB3 ARG A 82 10.652 -3.827 -11.475 1.00 51.01 H new ATOM 0 HG2 ARG A 82 10.211 -1.048 -12.336 1.00 34.11 H new ATOM 0 HG3 ARG A 82 11.228 -1.155 -10.913 1.00 34.11 H new ATOM 0 HD2 ARG A 82 12.710 -2.771 -12.100 1.00 44.30 H new ATOM 0 HD3 ARG A 82 11.695 -2.651 -13.524 1.00 44.30 H new ATOM 0 HE ARG A 82 12.458 -0.007 -12.816 1.00 40.22 H new ATOM 0 HH11 ARG A 82 13.928 -2.975 -14.030 1.00 32.14 H new ATOM 0 HH12 ARG A 82 15.261 -2.131 -14.826 1.00 32.14 H new ATOM 0 HH21 ARG A 82 14.191 1.079 -13.782 1.00 72.52 H new ATOM 0 HH22 ARG A 82 15.409 0.171 -14.684 1.00 72.52 H new ATOM 1175 N ALA A 83 7.526 -4.264 -10.159 1.00 15.44 N ATOM 1176 CA ALA A 83 6.814 -5.358 -9.509 1.00 35.24 C ATOM 1177 C ALA A 83 5.686 -5.815 -10.433 1.00 54.21 C ATOM 1178 O ALA A 83 5.651 -6.964 -10.870 1.00 52.30 O ATOM 1179 CB ALA A 83 6.291 -4.908 -8.134 1.00 24.31 C ATOM 0 H ALA A 83 7.603 -3.426 -9.583 1.00 15.44 H new ATOM 0 HA ALA A 83 7.482 -6.201 -9.332 1.00 35.24 H new ATOM 0 HB1 ALA A 83 5.761 -5.733 -7.658 1.00 24.31 H new ATOM 0 HB2 ALA A 83 7.130 -4.606 -7.507 1.00 24.31 H new ATOM 0 HB3 ALA A 83 5.611 -4.066 -8.261 1.00 24.31 H new ATOM 1185 N ALA A 84 4.835 -4.870 -10.840 1.00 40.32 N ATOM 1186 CA ALA A 84 3.613 -5.065 -11.619 1.00 44.01 C ATOM 1187 C ALA A 84 3.885 -5.374 -13.101 1.00 40.11 C ATOM 1188 O ALA A 84 3.120 -4.980 -13.981 1.00 54.02 O ATOM 1189 CB ALA A 84 2.740 -3.822 -11.450 1.00 72.11 C ATOM 0 H ALA A 84 4.992 -3.887 -10.620 1.00 40.32 H new ATOM 0 HA ALA A 84 3.092 -5.945 -11.241 1.00 44.01 H new ATOM 0 HB1 ALA A 84 1.820 -3.943 -12.023 1.00 72.11 H new ATOM 0 HB2 ALA A 84 2.496 -3.689 -10.396 1.00 72.11 H new ATOM 0 HB3 ALA A 84 3.280 -2.946 -11.811 1.00 72.11 H new ATOM 1195 N ARG A 85 4.997 -6.048 -13.389 1.00 74.10 N ATOM 1196 CA ARG A 85 5.341 -6.566 -14.701 1.00 0.11 C ATOM 1197 C ARG A 85 5.804 -8.015 -14.670 1.00 61.20 C ATOM 1198 O ARG A 85 5.801 -8.670 -15.712 1.00 20.14 O ATOM 1199 CB ARG A 85 6.443 -5.692 -15.291 1.00 35.21 C ATOM 1200 CG ARG A 85 5.902 -4.815 -16.411 1.00 14.14 C ATOM 1201 CD ARG A 85 7.086 -4.546 -17.327 1.00 3.02 C ATOM 1202 NE ARG A 85 6.717 -3.660 -18.439 1.00 2.32 N ATOM 1203 CZ ARG A 85 5.931 -3.993 -19.473 1.00 54.01 C ATOM 1204 NH1 ARG A 85 5.452 -5.223 -19.619 1.00 71.24 N ATOM 1205 NH2 ARG A 85 5.631 -3.085 -20.389 1.00 62.33 N ATOM 0 H ARG A 85 5.706 -6.253 -12.685 1.00 74.10 H new ATOM 0 HA ARG A 85 4.440 -6.540 -15.314 1.00 0.11 H new ATOM 0 HB2 ARG A 85 6.873 -5.066 -14.509 1.00 35.21 H new ATOM 0 HB3 ARG A 85 7.246 -6.322 -15.673 1.00 35.21 H new ATOM 0 HG2 ARG A 85 5.097 -5.317 -16.948 1.00 14.14 H new ATOM 0 HG3 ARG A 85 5.492 -3.885 -16.017 1.00 14.14 H new ATOM 0 HD2 ARG A 85 7.895 -4.094 -16.754 1.00 3.02 H new ATOM 0 HD3 ARG A 85 7.463 -5.489 -17.722 1.00 3.02 H new ATOM 0 HE ARG A 85 7.090 -2.711 -18.423 1.00 2.32 H new ATOM 0 HH11 ARG A 85 5.680 -5.944 -18.934 1.00 71.24 H new ATOM 0 HH12 ARG A 85 4.856 -5.447 -20.416 1.00 71.24 H new ATOM 0 HH21 ARG A 85 5.998 -2.137 -20.306 1.00 62.33 H new ATOM 0 HH22 ARG A 85 5.033 -3.334 -21.177 1.00 62.33 H new ATOM 1216 N ILE A 86 6.259 -8.493 -13.518 1.00 23.44 N ATOM 1217 CA ILE A 86 6.638 -9.888 -13.297 1.00 75.30 C ATOM 1218 C ILE A 86 5.685 -10.526 -12.272 1.00 24.45 C ATOM 1219 O ILE A 86 5.565 -11.754 -12.209 1.00 20.11 O ATOM 1220 CB ILE A 86 8.128 -9.973 -12.888 1.00 23.51 C ATOM 1221 CG1 ILE A 86 9.091 -9.270 -13.881 1.00 40.01 C ATOM 1222 CG2 ILE A 86 8.604 -11.436 -12.826 1.00 40.14 C ATOM 1223 CD1 ILE A 86 9.327 -7.778 -13.626 1.00 1.03 C ATOM 0 H ILE A 86 6.378 -7.909 -12.690 1.00 23.44 H new ATOM 0 HA ILE A 86 6.538 -10.461 -14.219 1.00 75.30 H new ATOM 0 HB ILE A 86 8.165 -9.477 -11.918 1.00 23.51 H new ATOM 0 HG12 ILE A 86 10.053 -9.782 -13.852 1.00 40.01 H new ATOM 0 HG13 ILE A 86 8.696 -9.390 -14.890 1.00 40.01 H new ATOM 0 HG21 ILE A 86 9.654 -11.465 -12.536 1.00 40.14 H new ATOM 0 HG22 ILE A 86 8.010 -11.981 -12.092 1.00 40.14 H new ATOM 0 HG23 ILE A 86 8.485 -11.899 -13.806 1.00 40.14 H new ATOM 0 HD11 ILE A 86 10.014 -7.385 -14.375 1.00 1.03 H new ATOM 0 HD12 ILE A 86 8.379 -7.244 -13.687 1.00 1.03 H new ATOM 0 HD13 ILE A 86 9.756 -7.642 -12.633 1.00 1.03 H new ATOM 1234 N ASP A 87 4.964 -9.723 -11.490 1.00 73.50 N ATOM 1235 CA ASP A 87 3.898 -10.225 -10.636 1.00 22.14 C ATOM 1236 C ASP A 87 2.749 -10.741 -11.508 1.00 15.02 C ATOM 1237 O ASP A 87 2.431 -10.113 -12.524 1.00 15.01 O ATOM 1238 CB ASP A 87 3.364 -9.096 -9.752 1.00 60.44 C ATOM 1239 CG ASP A 87 3.989 -9.158 -8.372 1.00 4.23 C ATOM 1240 OD1 ASP A 87 3.406 -9.855 -7.513 1.00 20.32 O ATOM 1241 OD2 ASP A 87 5.094 -8.611 -8.180 1.00 71.32 O ATOM 0 H ASP A 87 5.104 -8.714 -11.433 1.00 73.50 H new ATOM 0 HA ASP A 87 4.293 -11.028 -10.013 1.00 22.14 H new ATOM 0 HB2 ASP A 87 3.581 -8.132 -10.213 1.00 60.44 H new ATOM 0 HB3 ASP A 87 2.280 -9.173 -9.670 1.00 60.44 H new ATOM 1245 N PRO A 88 2.067 -11.820 -11.094 1.00 62.51 N ATOM 1246 CA PRO A 88 0.894 -12.322 -11.795 1.00 64.10 C ATOM 1247 C PRO A 88 -0.338 -11.453 -11.514 1.00 2.04 C ATOM 1248 O PRO A 88 -1.080 -11.107 -12.438 1.00 75.14 O ATOM 1249 CB PRO A 88 0.720 -13.758 -11.288 1.00 52.43 C ATOM 1250 CG PRO A 88 1.343 -13.739 -9.889 1.00 24.43 C ATOM 1251 CD PRO A 88 2.470 -12.723 -10.022 1.00 40.40 C ATOM 0 HA PRO A 88 1.015 -12.294 -12.878 1.00 64.10 H new ATOM 0 HB2 PRO A 88 -0.331 -14.043 -11.252 1.00 52.43 H new ATOM 0 HB3 PRO A 88 1.223 -14.474 -11.938 1.00 52.43 H new ATOM 0 HG2 PRO A 88 0.620 -13.440 -9.130 1.00 24.43 H new ATOM 0 HG3 PRO A 88 1.718 -14.721 -9.602 1.00 24.43 H new ATOM 0 HD2 PRO A 88 2.619 -12.180 -9.089 1.00 40.40 H new ATOM 0 HD3 PRO A 88 3.414 -13.215 -10.259 1.00 40.40 H new ATOM 1256 N ASP A 89 -0.564 -11.099 -10.245 1.00 75.54 N ATOM 1257 CA ASP A 89 -1.785 -10.478 -9.755 1.00 71.21 C ATOM 1258 C ASP A 89 -1.402 -9.676 -8.519 1.00 52.34 C ATOM 1259 O ASP A 89 -1.429 -10.188 -7.394 1.00 52.03 O ATOM 1260 CB ASP A 89 -2.881 -11.520 -9.449 1.00 35.11 C ATOM 1261 CG ASP A 89 -4.005 -11.462 -10.475 1.00 44.32 C ATOM 1262 OD1 ASP A 89 -4.808 -10.509 -10.379 1.00 20.41 O ATOM 1263 OD2 ASP A 89 -4.020 -12.285 -11.416 1.00 44.31 O ATOM 0 H ASP A 89 0.127 -11.245 -9.509 1.00 75.54 H new ATOM 0 HA ASP A 89 -2.215 -9.827 -10.516 1.00 71.21 H new ATOM 0 HB2 ASP A 89 -2.444 -12.519 -9.442 1.00 35.11 H new ATOM 0 HB3 ASP A 89 -3.286 -11.342 -8.453 1.00 35.11 H new ATOM 1267 N ILE A 90 -0.987 -8.430 -8.719 1.00 40.30 N ATOM 1268 CA ILE A 90 -0.611 -7.495 -7.665 1.00 41.22 C ATOM 1269 C ILE A 90 -1.517 -6.262 -7.712 1.00 3.43 C ATOM 1270 O ILE A 90 -1.820 -5.718 -8.772 1.00 33.34 O ATOM 1271 CB ILE A 90 0.899 -7.192 -7.736 1.00 71.52 C ATOM 1272 CG1 ILE A 90 1.431 -6.498 -6.464 1.00 12.03 C ATOM 1273 CG2 ILE A 90 1.286 -6.473 -9.044 1.00 3.25 C ATOM 1274 CD1 ILE A 90 2.945 -6.246 -6.469 1.00 35.22 C ATOM 0 H ILE A 90 -0.900 -8.029 -9.653 1.00 40.30 H new ATOM 0 HA ILE A 90 -0.770 -7.939 -6.682 1.00 41.22 H new ATOM 0 HB ILE A 90 1.412 -8.153 -7.765 1.00 71.52 H new ATOM 0 HG12 ILE A 90 0.916 -5.545 -6.342 1.00 12.03 H new ATOM 0 HG13 ILE A 90 1.179 -7.110 -5.598 1.00 12.03 H new ATOM 0 HG21 ILE A 90 2.359 -6.280 -9.049 1.00 3.25 H new ATOM 0 HG22 ILE A 90 1.026 -7.102 -9.896 1.00 3.25 H new ATOM 0 HG23 ILE A 90 0.747 -5.528 -9.113 1.00 3.25 H new ATOM 0 HD11 ILE A 90 3.235 -5.756 -5.540 1.00 35.22 H new ATOM 0 HD12 ILE A 90 3.472 -7.196 -6.558 1.00 35.22 H new ATOM 0 HD13 ILE A 90 3.205 -5.607 -7.313 1.00 35.22 H new ATOM 1285 N TRP A 91 -1.975 -5.830 -6.543 1.00 21.33 N ATOM 1286 CA TRP A 91 -2.755 -4.623 -6.364 1.00 1.01 C ATOM 1287 C TRP A 91 -1.789 -3.436 -6.306 1.00 20.24 C ATOM 1288 O TRP A 91 -0.782 -3.495 -5.595 1.00 75.21 O ATOM 1289 CB TRP A 91 -3.515 -4.776 -5.032 1.00 52.34 C ATOM 1290 CG TRP A 91 -4.640 -5.766 -4.994 1.00 12.43 C ATOM 1291 CD1 TRP A 91 -4.503 -7.107 -4.934 1.00 20.44 C ATOM 1292 CD2 TRP A 91 -6.075 -5.517 -5.014 1.00 4.23 C ATOM 1293 NE1 TRP A 91 -5.747 -7.703 -4.976 1.00 12.31 N ATOM 1294 CE2 TRP A 91 -6.752 -6.766 -5.129 1.00 14.05 C ATOM 1295 CE3 TRP A 91 -6.867 -4.355 -4.991 1.00 22.14 C ATOM 1296 CZ2 TRP A 91 -8.134 -6.836 -5.376 1.00 35.45 C ATOM 1297 CZ3 TRP A 91 -8.260 -4.414 -5.177 1.00 64.23 C ATOM 1298 CH2 TRP A 91 -8.885 -5.650 -5.409 1.00 0.11 C ATOM 0 H TRP A 91 -1.806 -6.329 -5.670 1.00 21.33 H new ATOM 0 HA TRP A 91 -3.462 -4.458 -7.177 1.00 1.01 H new ATOM 0 HB2 TRP A 91 -2.795 -5.054 -4.262 1.00 52.34 H new ATOM 0 HB3 TRP A 91 -3.915 -3.800 -4.757 1.00 52.34 H new ATOM 0 HD1 TRP A 91 -3.563 -7.634 -4.864 1.00 20.44 H new ATOM 0 HE1 TRP A 91 -5.905 -8.708 -4.903 1.00 12.31 H new ATOM 0 HE3 TRP A 91 -6.396 -3.397 -4.827 1.00 22.14 H new ATOM 0 HZ2 TRP A 91 -8.612 -7.791 -5.538 1.00 35.45 H new ATOM 0 HZ3 TRP A 91 -8.849 -3.509 -5.141 1.00 64.23 H new ATOM 0 HH2 TRP A 91 -9.945 -5.688 -5.613 1.00 0.11 H new ATOM 1308 N VAL A 92 -2.099 -2.355 -7.016 1.00 44.04 N ATOM 1309 CA VAL A 92 -1.386 -1.080 -6.954 1.00 74.34 C ATOM 1310 C VAL A 92 -2.345 -0.130 -6.246 1.00 40.24 C ATOM 1311 O VAL A 92 -3.412 0.156 -6.787 1.00 4.13 O ATOM 1312 CB VAL A 92 -1.038 -0.581 -8.373 1.00 3.21 C ATOM 1313 CG1 VAL A 92 -0.486 0.845 -8.389 1.00 41.00 C ATOM 1314 CG2 VAL A 92 0.004 -1.411 -9.129 1.00 33.22 C ATOM 0 H VAL A 92 -2.879 -2.341 -7.673 1.00 44.04 H new ATOM 0 HA VAL A 92 -0.437 -1.159 -6.425 1.00 74.34 H new ATOM 0 HB VAL A 92 -2.007 -0.661 -8.866 1.00 3.21 H new ATOM 0 HG11 VAL A 92 -0.261 1.137 -9.415 1.00 41.00 H new ATOM 0 HG12 VAL A 92 -1.227 1.527 -7.972 1.00 41.00 H new ATOM 0 HG13 VAL A 92 0.424 0.889 -7.791 1.00 41.00 H new ATOM 0 HG21 VAL A 92 0.174 -0.973 -10.113 1.00 33.22 H new ATOM 0 HG22 VAL A 92 0.939 -1.418 -8.569 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -0.358 -2.433 -9.244 1.00 33.22 H new ATOM 1324 N VAL A 93 -2.014 0.334 -5.047 1.00 74.43 N ATOM 1325 CA VAL A 93 -2.838 1.196 -4.216 1.00 32.24 C ATOM 1326 C VAL A 93 -2.002 2.448 -3.968 1.00 0.01 C ATOM 1327 O VAL A 93 -1.022 2.423 -3.223 1.00 43.21 O ATOM 1328 CB VAL A 93 -3.251 0.454 -2.930 1.00 35.13 C ATOM 1329 CG1 VAL A 93 -4.049 1.363 -1.992 1.00 14.04 C ATOM 1330 CG2 VAL A 93 -4.094 -0.796 -3.218 1.00 24.45 C ATOM 0 H VAL A 93 -1.121 0.107 -4.609 1.00 74.43 H new ATOM 0 HA VAL A 93 -3.779 1.478 -4.689 1.00 32.24 H new ATOM 0 HB VAL A 93 -2.318 0.151 -2.454 1.00 35.13 H new ATOM 0 HG11 VAL A 93 -4.324 0.808 -1.095 1.00 14.04 H new ATOM 0 HG12 VAL A 93 -3.440 2.223 -1.714 1.00 14.04 H new ATOM 0 HG13 VAL A 93 -4.952 1.706 -2.498 1.00 14.04 H new ATOM 0 HG21 VAL A 93 -4.358 -1.281 -2.278 1.00 24.45 H new ATOM 0 HG22 VAL A 93 -5.003 -0.508 -3.746 1.00 24.45 H new ATOM 0 HG23 VAL A 93 -3.520 -1.488 -3.835 1.00 24.45 H new ATOM 1340 N GLU A 94 -2.365 3.539 -4.635 1.00 60.54 N ATOM 1341 CA GLU A 94 -1.589 4.771 -4.612 1.00 61.40 C ATOM 1342 C GLU A 94 -2.338 5.735 -3.699 1.00 41.32 C ATOM 1343 O GLU A 94 -3.461 6.126 -4.038 1.00 43.14 O ATOM 1344 CB GLU A 94 -1.414 5.347 -6.039 1.00 31.12 C ATOM 1345 CG GLU A 94 -0.997 4.353 -7.143 1.00 41.03 C ATOM 1346 CD GLU A 94 0.448 3.835 -7.057 1.00 3.33 C ATOM 1347 OE1 GLU A 94 0.889 3.413 -5.967 1.00 21.52 O ATOM 1348 OE2 GLU A 94 1.116 3.786 -8.120 1.00 44.31 O ATOM 0 H GLU A 94 -3.208 3.592 -5.207 1.00 60.54 H new ATOM 0 HA GLU A 94 -0.580 4.596 -4.238 1.00 61.40 H new ATOM 0 HB2 GLU A 94 -2.355 5.810 -6.336 1.00 31.12 H new ATOM 0 HB3 GLU A 94 -0.668 6.140 -5.996 1.00 31.12 H new ATOM 0 HG2 GLU A 94 -1.673 3.499 -7.112 1.00 41.03 H new ATOM 0 HG3 GLU A 94 -1.135 4.834 -8.111 1.00 41.03 H new ATOM 1353 N ILE A 95 -1.766 6.111 -2.552 1.00 22.54 N ATOM 1354 CA ILE A 95 -2.339 7.081 -1.622 1.00 22.32 C ATOM 1355 C ILE A 95 -1.472 8.341 -1.700 1.00 64.40 C ATOM 1356 O ILE A 95 -0.251 8.266 -1.559 1.00 73.53 O ATOM 1357 CB ILE A 95 -2.401 6.522 -0.173 1.00 3.14 C ATOM 1358 CG1 ILE A 95 -2.847 5.046 -0.051 1.00 23.53 C ATOM 1359 CG2 ILE A 95 -3.292 7.414 0.709 1.00 4.42 C ATOM 1360 CD1 ILE A 95 -4.225 4.737 -0.640 1.00 62.13 C ATOM 0 H ILE A 95 -0.869 5.739 -2.239 1.00 22.54 H new ATOM 0 HA ILE A 95 -3.369 7.306 -1.897 1.00 22.32 H new ATOM 0 HB ILE A 95 -1.369 6.541 0.176 1.00 3.14 H new ATOM 0 HG12 ILE A 95 -2.107 4.416 -0.546 1.00 23.53 H new ATOM 0 HG13 ILE A 95 -2.848 4.768 1.003 1.00 23.53 H new ATOM 0 HG21 ILE A 95 -3.325 7.009 1.720 1.00 4.42 H new ATOM 0 HG22 ILE A 95 -2.883 8.424 0.736 1.00 4.42 H new ATOM 0 HG23 ILE A 95 -4.301 7.442 0.296 1.00 4.42 H new ATOM 0 HD11 ILE A 95 -4.449 3.679 -0.507 1.00 62.13 H new ATOM 0 HD12 ILE A 95 -4.981 5.335 -0.130 1.00 62.13 H new ATOM 0 HD13 ILE A 95 -4.228 4.977 -1.703 1.00 62.13 H new ATOM 1371 N GLU A 96 -2.085 9.500 -1.929 1.00 4.41 N ATOM 1372 CA GLU A 96 -1.438 10.791 -1.758 1.00 54.20 C ATOM 1373 C GLU A 96 -2.087 11.467 -0.553 1.00 11.03 C ATOM 1374 O GLU A 96 -3.177 12.042 -0.670 1.00 15.44 O ATOM 1375 CB GLU A 96 -1.551 11.650 -3.020 1.00 22.51 C ATOM 1376 CG GLU A 96 -0.624 11.179 -4.161 1.00 72.21 C ATOM 1377 CD GLU A 96 -0.247 12.290 -5.149 1.00 44.01 C ATOM 1378 OE1 GLU A 96 -0.493 13.476 -4.828 1.00 63.40 O ATOM 1379 OE2 GLU A 96 0.395 12.000 -6.186 1.00 33.54 O ATOM 0 H GLU A 96 -3.054 9.566 -2.241 1.00 4.41 H new ATOM 0 HA GLU A 96 -0.370 10.660 -1.585 1.00 54.20 H new ATOM 0 HB2 GLU A 96 -2.583 11.636 -3.370 1.00 22.51 H new ATOM 0 HB3 GLU A 96 -1.313 12.684 -2.770 1.00 22.51 H new ATOM 0 HG2 GLU A 96 0.287 10.765 -3.729 1.00 72.21 H new ATOM 0 HG3 GLU A 96 -1.114 10.372 -4.706 1.00 72.21 H new ATOM 1384 N ASP A 97 -1.427 11.365 0.601 1.00 61.10 N ATOM 1385 CA ASP A 97 -1.848 11.983 1.845 1.00 2.43 C ATOM 1386 C ASP A 97 -1.193 13.368 1.981 1.00 1.22 C ATOM 1387 O ASP A 97 -0.524 13.886 1.081 1.00 35.33 O ATOM 1388 CB ASP A 97 -1.491 11.091 3.049 1.00 2.45 C ATOM 1389 CG ASP A 97 -2.246 9.766 3.121 1.00 2.13 C ATOM 1390 OD1 ASP A 97 -3.487 9.812 3.059 1.00 62.31 O ATOM 1391 OD2 ASP A 97 -1.585 8.726 3.367 1.00 13.11 O ATOM 0 H ASP A 97 -0.561 10.834 0.692 1.00 61.10 H new ATOM 0 HA ASP A 97 -2.931 12.102 1.830 1.00 2.43 H new ATOM 0 HB2 ASP A 97 -0.422 10.881 3.021 1.00 2.45 H new ATOM 0 HB3 ASP A 97 -1.682 11.650 3.965 1.00 2.45 H new ATOM 1395 N ARG A 98 -1.394 14.003 3.137 1.00 0.43 N ATOM 1396 CA ARG A 98 -1.032 15.394 3.415 1.00 74.43 C ATOM 1397 C ARG A 98 -0.041 15.533 4.577 1.00 21.13 C ATOM 1398 O ARG A 98 0.290 16.661 4.923 1.00 52.41 O ATOM 1399 CB ARG A 98 -2.320 16.202 3.650 1.00 15.35 C ATOM 1400 CG ARG A 98 -3.020 15.674 4.898 1.00 43.40 C ATOM 1401 CD ARG A 98 -4.203 16.487 5.408 1.00 60.30 C ATOM 1402 NE ARG A 98 -3.797 17.820 5.877 1.00 35.23 N ATOM 1403 CZ ARG A 98 -3.161 18.095 7.022 1.00 51.44 C ATOM 1404 NH1 ARG A 98 -2.794 17.130 7.865 1.00 54.40 N ATOM 1405 NH2 ARG A 98 -2.879 19.350 7.350 1.00 73.33 N ATOM 0 H ARG A 98 -1.831 13.544 3.937 1.00 0.43 H new ATOM 0 HA ARG A 98 -0.506 15.796 2.549 1.00 74.43 H new ATOM 0 HB2 ARG A 98 -2.084 17.259 3.770 1.00 15.35 H new ATOM 0 HB3 ARG A 98 -2.979 16.119 2.786 1.00 15.35 H new ATOM 0 HG2 ARG A 98 -3.365 14.661 4.693 1.00 43.40 H new ATOM 0 HG3 ARG A 98 -2.284 15.604 5.699 1.00 43.40 H new ATOM 0 HD2 ARG A 98 -4.940 16.592 4.612 1.00 60.30 H new ATOM 0 HD3 ARG A 98 -4.688 15.949 6.222 1.00 60.30 H new ATOM 0 HE ARG A 98 -4.021 18.610 5.272 1.00 35.23 H new ATOM 0 HH11 ARG A 98 -2.997 16.155 7.644 1.00 54.40 H new ATOM 0 HH12 ARG A 98 -2.310 17.366 8.731 1.00 54.40 H new ATOM 0 HH21 ARG A 98 -3.147 20.112 6.728 1.00 73.33 H new ATOM 0 HH22 ARG A 98 -2.394 19.552 8.224 1.00 73.33 H new ATOM 1416 N ASP A 99 0.303 14.430 5.231 1.00 61.43 N ATOM 1417 CA ASP A 99 0.856 14.275 6.564 1.00 41.44 C ATOM 1418 C ASP A 99 1.564 12.915 6.707 1.00 73.10 C ATOM 1419 O ASP A 99 1.786 12.434 7.826 1.00 53.43 O ATOM 1420 CB ASP A 99 -0.283 14.428 7.598 1.00 1.11 C ATOM 1421 CG ASP A 99 -1.625 13.763 7.258 1.00 35.11 C ATOM 1422 OD1 ASP A 99 -1.648 12.838 6.412 1.00 12.11 O ATOM 1423 OD2 ASP A 99 -2.680 14.279 7.719 1.00 51.44 O ATOM 0 H ASP A 99 0.186 13.520 4.785 1.00 61.43 H new ATOM 0 HA ASP A 99 1.605 15.046 6.742 1.00 41.44 H new ATOM 0 HB2 ASP A 99 0.065 14.023 8.548 1.00 1.11 H new ATOM 0 HB3 ASP A 99 -0.461 15.492 7.751 1.00 1.11 H new ATOM 1427 N GLY A 100 1.937 12.281 5.590 1.00 63.43 N ATOM 1428 CA GLY A 100 2.645 11.000 5.588 1.00 53.23 C ATOM 1429 C GLY A 100 1.841 9.918 6.301 1.00 31.15 C ATOM 1430 O GLY A 100 2.390 9.148 7.094 1.00 35.21 O ATOM 0 H GLY A 100 1.754 12.647 4.656 1.00 63.43 H new ATOM 0 HA2 GLY A 100 2.841 10.692 4.561 1.00 53.23 H new ATOM 0 HA3 GLY A 100 3.613 11.117 6.076 1.00 53.23 H new ATOM 1434 N ARG A 101 0.527 9.903 6.057 1.00 40.34 N ATOM 1435 CA ARG A 101 -0.413 8.907 6.556 1.00 4.01 C ATOM 1436 C ARG A 101 -0.168 7.570 5.839 1.00 51.33 C ATOM 1437 O ARG A 101 0.906 7.309 5.298 1.00 31.54 O ATOM 1438 CB ARG A 101 -1.841 9.475 6.377 1.00 14.32 C ATOM 1439 CG ARG A 101 -2.522 9.956 7.664 1.00 73.13 C ATOM 1440 CD ARG A 101 -3.464 8.905 8.249 1.00 21.51 C ATOM 1441 NE ARG A 101 -2.779 7.932 9.109 1.00 35.55 N ATOM 1442 CZ ARG A 101 -3.369 6.973 9.823 1.00 23.13 C ATOM 1443 NH1 ARG A 101 -4.672 6.768 9.677 1.00 43.04 N ATOM 1444 NH2 ARG A 101 -2.642 6.236 10.655 1.00 53.33 N ATOM 0 H ARG A 101 0.076 10.615 5.483 1.00 40.34 H new ATOM 0 HA ARG A 101 -0.277 8.700 7.617 1.00 4.01 H new ATOM 0 HB2 ARG A 101 -1.797 10.308 5.676 1.00 14.32 H new ATOM 0 HB3 ARG A 101 -2.465 8.707 5.921 1.00 14.32 H new ATOM 0 HG2 ARG A 101 -1.761 10.210 8.402 1.00 73.13 H new ATOM 0 HG3 ARG A 101 -3.082 10.868 7.457 1.00 73.13 H new ATOM 0 HD2 ARG A 101 -4.243 9.404 8.825 1.00 21.51 H new ATOM 0 HD3 ARG A 101 -3.959 8.376 7.435 1.00 21.51 H new ATOM 0 HE ARG A 101 -1.763 7.995 9.165 1.00 35.55 H new ATOM 0 HH11 ARG A 101 -5.208 7.341 9.025 1.00 43.04 H new ATOM 0 HH12 ARG A 101 -5.137 6.038 10.217 1.00 43.04 H new ATOM 0 HH21 ARG A 101 -1.640 6.406 10.744 1.00 53.33 H new ATOM 0 HH22 ARG A 101 -3.086 5.500 11.205 1.00 53.33 H new ATOM 1455 N HIS A 102 -1.120 6.655 5.987 1.00 74.53 N ATOM 1456 CA HIS A 102 -1.154 5.379 5.291 1.00 40.20 C ATOM 1457 C HIS A 102 -2.560 4.784 5.327 1.00 21.45 C ATOM 1458 O HIS A 102 -2.899 3.981 4.467 1.00 61.43 O ATOM 1459 CB HIS A 102 -0.127 4.396 5.882 1.00 13.25 C ATOM 1460 CG HIS A 102 0.128 4.474 7.371 1.00 13.33 C ATOM 1461 ND1 HIS A 102 -0.669 3.989 8.382 1.00 41.10 N ATOM 1462 CD2 HIS A 102 1.252 4.999 7.950 1.00 71.20 C ATOM 1463 CE1 HIS A 102 -0.031 4.203 9.542 1.00 60.54 C ATOM 1464 NE2 HIS A 102 1.143 4.821 9.336 1.00 12.23 N ATOM 0 H HIS A 102 -1.913 6.788 6.615 1.00 74.53 H new ATOM 0 HA HIS A 102 -0.884 5.556 4.250 1.00 40.20 H new ATOM 0 HB2 HIS A 102 -0.456 3.383 5.648 1.00 13.25 H new ATOM 0 HB3 HIS A 102 0.822 4.550 5.368 1.00 13.25 H new ATOM 0 HD2 HIS A 102 2.076 5.467 7.431 1.00 71.20 H new ATOM 0 HE1 HIS A 102 -0.411 3.917 10.512 1.00 60.54 H new ATOM 0 HE2 HIS A 102 1.819 5.104 10.045 1.00 12.23 H new ATOM 1471 N PHE A 103 -3.392 5.159 6.310 1.00 53.03 N ATOM 1472 CA PHE A 103 -4.794 4.746 6.443 1.00 0.04 C ATOM 1473 C PHE A 103 -5.032 3.223 6.482 1.00 0.11 C ATOM 1474 O PHE A 103 -6.180 2.777 6.474 1.00 72.50 O ATOM 1475 CB PHE A 103 -5.656 5.495 5.407 1.00 61.31 C ATOM 1476 CG PHE A 103 -5.926 6.939 5.777 1.00 21.44 C ATOM 1477 CD1 PHE A 103 -6.779 7.241 6.860 1.00 32.31 C ATOM 1478 CD2 PHE A 103 -5.326 7.981 5.046 1.00 24.33 C ATOM 1479 CE1 PHE A 103 -7.032 8.579 7.205 1.00 73.53 C ATOM 1480 CE2 PHE A 103 -5.593 9.314 5.396 1.00 33.31 C ATOM 1481 CZ PHE A 103 -6.448 9.619 6.466 1.00 60.14 C ATOM 0 H PHE A 103 -3.094 5.781 7.061 1.00 53.03 H new ATOM 0 HA PHE A 103 -5.121 5.044 7.439 1.00 0.04 H new ATOM 0 HB2 PHE A 103 -5.156 5.464 4.439 1.00 61.31 H new ATOM 0 HB3 PHE A 103 -6.606 4.974 5.292 1.00 61.31 H new ATOM 0 HD1 PHE A 103 -7.238 6.442 7.424 1.00 32.31 H new ATOM 0 HD2 PHE A 103 -4.665 7.757 4.222 1.00 24.33 H new ATOM 0 HE1 PHE A 103 -7.677 8.808 8.040 1.00 73.53 H new ATOM 0 HE2 PHE A 103 -5.135 10.115 4.835 1.00 33.31 H new ATOM 0 HZ PHE A 103 -6.655 10.648 6.719 1.00 60.14 H new ATOM 1490 N LEU A 104 -3.989 2.406 6.627 1.00 32.12 N ATOM 1491 CA LEU A 104 -4.091 0.960 6.814 1.00 22.24 C ATOM 1492 C LEU A 104 -4.772 0.643 8.152 1.00 40.30 C ATOM 1493 O LEU A 104 -5.018 1.526 8.982 1.00 1.21 O ATOM 1494 CB LEU A 104 -2.683 0.327 6.714 1.00 13.42 C ATOM 1495 CG LEU A 104 -2.050 0.558 5.325 1.00 51.13 C ATOM 1496 CD1 LEU A 104 -0.539 0.328 5.354 1.00 2.03 C ATOM 1497 CD2 LEU A 104 -2.711 -0.295 4.238 1.00 44.20 C ATOM 0 H LEU A 104 -3.025 2.741 6.617 1.00 32.12 H new ATOM 0 HA LEU A 104 -4.711 0.528 6.028 1.00 22.24 H new ATOM 0 HB2 LEU A 104 -2.038 0.752 7.483 1.00 13.42 H new ATOM 0 HB3 LEU A 104 -2.750 -0.743 6.910 1.00 13.42 H new ATOM 0 HG LEU A 104 -2.229 1.603 5.070 1.00 51.13 H new ATOM 0 HD11 LEU A 104 -0.126 0.499 4.360 1.00 2.03 H new ATOM 0 HD12 LEU A 104 -0.079 1.018 6.062 1.00 2.03 H new ATOM 0 HD13 LEU A 104 -0.333 -0.697 5.661 1.00 2.03 H new ATOM 0 HD21 LEU A 104 -2.232 -0.098 3.279 1.00 44.20 H new ATOM 0 HD22 LEU A 104 -2.602 -1.350 4.488 1.00 44.20 H new ATOM 0 HD23 LEU A 104 -3.770 -0.045 4.173 1.00 44.20 H new ATOM 1508 N THR A 105 -5.067 -0.625 8.395 1.00 11.02 N ATOM 1509 CA THR A 105 -5.830 -1.133 9.546 1.00 60.53 C ATOM 1510 C THR A 105 -4.945 -2.033 10.432 1.00 73.14 C ATOM 1511 O THR A 105 -5.429 -2.760 11.298 1.00 11.23 O ATOM 1512 CB THR A 105 -7.101 -1.826 9.009 1.00 62.31 C ATOM 1513 OG1 THR A 105 -6.761 -2.779 8.022 1.00 21.55 O ATOM 1514 CG2 THR A 105 -8.023 -0.820 8.321 1.00 31.24 C ATOM 0 H THR A 105 -4.770 -1.373 7.768 1.00 11.02 H new ATOM 0 HA THR A 105 -6.148 -0.322 10.201 1.00 60.53 H new ATOM 0 HB THR A 105 -7.593 -2.289 9.865 1.00 62.31 H new ATOM 0 HG1 THR A 105 -7.575 -3.212 7.691 1.00 21.55 H new ATOM 0 HG21 THR A 105 -8.911 -1.333 7.952 1.00 31.24 H new ATOM 0 HG22 THR A 105 -8.319 -0.051 9.034 1.00 31.24 H new ATOM 0 HG23 THR A 105 -7.498 -0.357 7.486 1.00 31.24 H new ATOM 1522 N GLU A 106 -3.636 -2.014 10.167 1.00 33.22 N ATOM 1523 CA GLU A 106 -2.661 -3.064 10.436 1.00 3.21 C ATOM 1524 C GLU A 106 -1.333 -2.424 10.876 1.00 13.22 C ATOM 1525 O GLU A 106 -1.187 -1.194 10.763 1.00 41.01 O ATOM 1526 CB GLU A 106 -2.511 -3.867 9.134 1.00 72.40 C ATOM 1527 CG GLU A 106 -3.581 -4.956 9.041 1.00 42.14 C ATOM 1528 CD GLU A 106 -3.659 -5.560 7.646 1.00 74.10 C ATOM 1529 OE1 GLU A 106 -3.980 -4.800 6.697 1.00 4.34 O ATOM 1530 OE2 GLU A 106 -3.577 -6.800 7.531 1.00 52.04 O ATOM 0 H GLU A 106 -3.202 -1.203 9.726 1.00 33.22 H new ATOM 0 HA GLU A 106 -2.977 -3.727 11.242 1.00 3.21 H new ATOM 0 HB2 GLU A 106 -2.591 -3.198 8.277 1.00 72.40 H new ATOM 0 HB3 GLU A 106 -1.520 -4.320 9.093 1.00 72.40 H new ATOM 0 HG2 GLU A 106 -3.363 -5.741 9.765 1.00 42.14 H new ATOM 0 HG3 GLU A 106 -4.550 -4.536 9.309 1.00 42.14 H new ATOM 1535 N PRO A 107 -0.395 -3.204 11.443 1.00 42.41 N ATOM 1536 CA PRO A 107 0.924 -2.712 11.826 1.00 62.40 C ATOM 1537 C PRO A 107 1.765 -2.420 10.575 1.00 52.43 C ATOM 1538 O PRO A 107 1.461 -2.928 9.489 1.00 71.33 O ATOM 1539 CB PRO A 107 1.509 -3.835 12.686 1.00 52.34 C ATOM 1540 CG PRO A 107 0.924 -5.096 12.068 1.00 1.11 C ATOM 1541 CD PRO A 107 -0.482 -4.638 11.698 1.00 22.22 C ATOM 0 HA PRO A 107 0.896 -1.772 12.376 1.00 62.40 H new ATOM 0 HB2 PRO A 107 2.598 -3.840 12.653 1.00 52.34 H new ATOM 0 HB3 PRO A 107 1.222 -3.730 13.732 1.00 52.34 H new ATOM 0 HG2 PRO A 107 1.490 -5.425 11.196 1.00 1.11 H new ATOM 0 HG3 PRO A 107 0.911 -5.928 12.772 1.00 1.11 H new ATOM 0 HD2 PRO A 107 -0.844 -5.168 10.817 1.00 22.22 H new ATOM 0 HD3 PRO A 107 -1.184 -4.847 12.506 1.00 22.22 H new ATOM 1546 N VAL A 108 2.816 -1.605 10.728 1.00 63.54 N ATOM 1547 CA VAL A 108 3.668 -1.178 9.628 1.00 13.34 C ATOM 1548 C VAL A 108 5.127 -1.224 10.083 1.00 72.30 C ATOM 1549 O VAL A 108 5.528 -0.514 11.009 1.00 21.25 O ATOM 1550 CB VAL A 108 3.272 0.208 9.087 1.00 43.01 C ATOM 1551 CG1 VAL A 108 4.044 0.477 7.789 1.00 73.33 C ATOM 1552 CG2 VAL A 108 1.767 0.366 8.800 1.00 2.15 C ATOM 0 H VAL A 108 3.096 -1.223 11.632 1.00 63.54 H new ATOM 0 HA VAL A 108 3.535 -1.865 8.792 1.00 13.34 H new ATOM 0 HB VAL A 108 3.521 0.924 9.870 1.00 43.01 H new ATOM 0 HG11 VAL A 108 3.769 1.457 7.399 1.00 73.33 H new ATOM 0 HG12 VAL A 108 5.115 0.454 7.991 1.00 73.33 H new ATOM 0 HG13 VAL A 108 3.797 -0.289 7.053 1.00 73.33 H new ATOM 0 HG21 VAL A 108 1.572 1.370 8.422 1.00 2.15 H new ATOM 0 HG22 VAL A 108 1.460 -0.368 8.055 1.00 2.15 H new ATOM 0 HG23 VAL A 108 1.203 0.208 9.719 1.00 2.15 H new ATOM 1562 N GLU A 109 5.902 -2.092 9.440 1.00 21.42 N ATOM 1563 CA GLU A 109 7.323 -2.333 9.675 1.00 1.45 C ATOM 1564 C GLU A 109 8.207 -1.204 9.120 1.00 24.12 C ATOM 1565 O GLU A 109 7.729 -0.131 8.738 1.00 62.13 O ATOM 1566 CB GLU A 109 7.665 -3.729 9.107 1.00 23.12 C ATOM 1567 CG GLU A 109 7.757 -4.803 10.197 1.00 35.45 C ATOM 1568 CD GLU A 109 9.153 -5.378 10.377 1.00 2.15 C ATOM 1569 OE1 GLU A 109 10.026 -4.687 10.949 1.00 54.00 O ATOM 1570 OE2 GLU A 109 9.362 -6.566 10.051 1.00 15.42 O ATOM 0 H GLU A 109 5.532 -2.683 8.695 1.00 21.42 H new ATOM 0 HA GLU A 109 7.536 -2.328 10.744 1.00 1.45 H new ATOM 0 HB2 GLU A 109 6.905 -4.018 8.381 1.00 23.12 H new ATOM 0 HB3 GLU A 109 8.613 -3.677 8.572 1.00 23.12 H new ATOM 0 HG2 GLU A 109 7.425 -4.376 11.143 1.00 35.45 H new ATOM 0 HG3 GLU A 109 7.069 -5.613 9.955 1.00 35.45 H new ATOM 1575 N SER A 110 9.519 -1.426 9.143 1.00 3.03 N ATOM 1576 CA SER A 110 10.557 -0.421 8.922 1.00 32.23 C ATOM 1577 C SER A 110 11.738 -0.991 8.140 1.00 75.21 C ATOM 1578 O SER A 110 11.695 -2.170 7.726 1.00 55.33 O ATOM 1579 CB SER A 110 10.952 0.185 10.282 1.00 2.04 C ATOM 1580 OG SER A 110 11.090 -0.784 11.317 1.00 54.32 O ATOM 0 H SER A 110 9.905 -2.352 9.324 1.00 3.03 H new ATOM 0 HA SER A 110 10.172 0.382 8.294 1.00 32.23 H new ATOM 0 HB2 SER A 110 11.893 0.723 10.171 1.00 2.04 H new ATOM 0 HB3 SER A 110 10.199 0.916 10.577 1.00 2.04 H new ATOM 0 HG SER A 110 11.343 -0.337 12.152 1.00 54.32 H new