USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 6 ASN :FLIP amide:sc= 0.487 F(o=-2.5!,f=0.95) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.461 USER MOD Set 2.1: A 51 ASN : amide:sc= 0.563 K(o=-2.2,f=-8.6!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -2.72 X(o=-2.2,f=-2.2) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -168:sc= -1.13 (180deg=-1.85) USER MOD Set 3.2: A 105 GLN : amide:sc= -0.853 K(o=-2,f=-7!) USER MOD Set 4.1: A 33 SER OG : rot -81:sc= 0.962 USER MOD Set 4.2: A 34 GLN :FLIP amide:sc= 0.83 F(o=0.86,f=1.8) USER MOD Set 5.1: A 1 ALA N :NH3+ -172:sc= 1.06 (180deg=0) USER MOD Set 5.2: A 2 GLN :FLIP amide:sc= -4.48! C(o=-5.4!,f=-3.4!) USER MOD Single : A 7 SER OG : rot 78:sc= 0.948 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0575) USER MOD Single : A 10 GLN : amide:sc= -0.0811 K(o=-0.081,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.0793 (180deg=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -28:sc= -0.309! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 92:sc= -0.693 USER MOD Single : A 29 GLN : amide:sc= 0.278 K(o=0.28,f=-1.5) USER MOD Single : A 39 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.022) USER MOD Single : A 48 THR OG1 : rot -47:sc= 0.693 USER MOD Single : A 50 THR OG1 : rot -36:sc= 0.392 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 54 ASN : amide:sc=-0.00647 X(o=-0.0065,f=-0.34) USER MOD Single : A 57 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.63) USER MOD Single : A 61 GLN :FLIP amide:sc= -6.95! C(o=-15!,f=-7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -120:sc= -1.15! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0.467 (180deg=0.391) USER MOD Single : A 78 SER OG : rot 101:sc= 0.102 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 89:sc= 0.0987 USER MOD Single : A 89 GLN : amide:sc= -3.98 K(o=-4,f=-9.5!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 107:sc= 1.17 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.818 X(o=-0.82,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.275 45.823 5.511 1.00 18.33 N ATOM 2 CA ALA A 1 16.286 44.882 4.951 1.00 16.52 C ATOM 3 C ALA A 1 15.614 43.950 3.940 1.00 15.03 C ATOM 4 O ALA A 1 14.709 43.212 4.272 1.00 16.00 O ATOM 5 CB ALA A 1 16.891 44.050 6.085 1.00 17.21 C ATOM 0 H1 ALA A 1 15.753 46.541 6.092 1.00 18.33 H new ATOM 0 H2 ALA A 1 14.767 46.290 4.733 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.598 45.296 6.099 1.00 18.33 H new ATOM 0 HA ALA A 1 17.073 45.450 4.454 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.631 43.361 5.676 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.371 44.712 6.806 1.00 17.21 H new ATOM 0 HB3 ALA A 1 16.103 43.484 6.581 1.00 17.21 H new ATOM 13 N GLN A 2 16.054 43.975 2.709 1.00 14.70 N ATOM 14 CA GLN A 2 15.447 43.088 1.673 1.00 14.58 C ATOM 15 C GLN A 2 16.563 42.389 0.896 1.00 12.38 C ATOM 16 O GLN A 2 16.817 41.215 1.075 1.00 12.11 O ATOM 17 CB GLN A 2 14.604 43.929 0.711 1.00 17.38 C ATOM 18 CG GLN A 2 13.734 44.903 1.509 1.00 22.60 C ATOM 19 CD GLN A 2 14.587 46.084 1.979 1.00 24.11 C ATOM 20 OE1 GLN A 2 14.230 46.747 3.045 1.00 29.77 O flip ATOM 21 NE2 GLN A 2 15.587 46.407 1.369 1.00 23.75 N flip ATOM 0 H GLN A 2 16.810 44.573 2.376 1.00 14.70 H new ATOM 0 HA GLN A 2 14.812 42.344 2.153 1.00 14.58 H new ATOM 0 HB2 GLN A 2 15.252 44.479 0.029 1.00 17.38 H new ATOM 0 HB3 GLN A 2 13.976 43.281 0.100 1.00 17.38 H new ATOM 0 HG2 GLN A 2 12.909 45.259 0.892 1.00 22.60 H new ATOM 0 HG3 GLN A 2 13.294 44.395 2.367 1.00 22.60 H new ATOM 0 HE21 GLN A 2 15.866 45.889 0.536 1.00 23.75 H new ATOM 0 HE22 GLN A 2 16.148 47.196 1.690 1.00 23.75 H new ATOM 30 N GLU A 3 17.237 43.105 0.039 1.00 0.00 N ATOM 31 CA GLU A 3 18.342 42.485 -0.743 1.00 0.00 C ATOM 32 C GLU A 3 19.387 41.927 0.225 1.00 0.00 C ATOM 33 O GLU A 3 20.314 41.251 -0.168 1.00 0.00 O ATOM 34 CB GLU A 3 18.988 43.543 -1.640 1.00 0.00 C ATOM 35 CG GLU A 3 17.895 44.347 -2.346 1.00 0.00 C ATOM 36 CD GLU A 3 18.499 45.106 -3.529 1.00 0.00 C ATOM 37 OE1 GLU A 3 19.597 45.616 -3.380 1.00 0.00 O ATOM 38 OE2 GLU A 3 17.854 45.164 -4.562 1.00 0.00 O ATOM 0 H GLU A 3 17.070 44.093 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 3 17.948 41.679 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.616 44.206 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.636 43.066 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 3 17.106 43.680 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.436 45.047 -1.648 1.00 0.00 H new ATOM 45 N PHE A 4 19.245 42.216 1.488 1.00 11.75 N ATOM 46 CA PHE A 4 20.228 41.716 2.487 1.00 10.29 C ATOM 47 C PHE A 4 20.223 40.186 2.515 1.00 10.97 C ATOM 48 O PHE A 4 21.155 39.546 2.072 1.00 7.53 O ATOM 49 CB PHE A 4 19.851 42.255 3.874 1.00 11.72 C ATOM 50 CG PHE A 4 20.746 43.419 4.239 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.730 44.586 3.466 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.589 43.331 5.355 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.555 45.664 3.807 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.415 44.409 5.696 1.00 19.72 C ATOM 55 CZ PHE A 4 22.398 45.575 4.922 1.00 20.03 C ATOM 0 H PHE A 4 18.487 42.780 1.872 1.00 11.75 H new ATOM 0 HA PHE A 4 21.225 42.059 2.212 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.808 42.572 3.879 1.00 11.72 H new ATOM 0 HB3 PHE A 4 19.947 41.465 4.619 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.081 44.655 2.606 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.602 42.431 5.952 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.542 46.564 3.211 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.065 44.341 6.556 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.035 46.407 5.185 1.00 20.03 H new ATOM 65 N VAL A 5 19.190 39.596 3.049 1.00 10.96 N ATOM 66 CA VAL A 5 19.139 38.108 3.122 1.00 12.03 C ATOM 67 C VAL A 5 18.863 37.527 1.734 1.00 12.91 C ATOM 68 O VAL A 5 19.418 36.516 1.355 1.00 10.57 O ATOM 69 CB VAL A 5 18.027 37.684 4.086 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.052 38.587 5.320 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.666 37.810 3.395 1.00 9.23 C ATOM 0 H VAL A 5 18.380 40.078 3.438 1.00 10.96 H new ATOM 0 HA VAL A 5 20.097 37.733 3.481 1.00 12.03 H new ATOM 0 HB VAL A 5 18.187 36.648 4.385 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.261 38.286 6.007 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.018 38.497 5.817 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.895 39.622 5.017 1.00 5.33 H new ATOM 0 HG21 VAL A 5 15.878 37.507 4.085 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.506 38.845 3.093 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.644 37.168 2.515 1.00 9.23 H new ATOM 81 N ASN A 6 18.004 38.150 0.976 1.00 13.95 N ATOM 82 CA ASN A 6 17.692 37.625 -0.377 1.00 13.93 C ATOM 83 C ASN A 6 18.986 37.485 -1.184 1.00 14.98 C ATOM 84 O ASN A 6 19.153 36.553 -1.945 1.00 13.88 O ATOM 85 CB ASN A 6 16.744 38.591 -1.086 1.00 19.23 C ATOM 86 CG ASN A 6 15.348 38.480 -0.469 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.154 37.666 0.532 1.00 28.33 O flip ATOM 88 ND2 ASN A 6 14.425 39.141 -0.901 1.00 26.59 N flip ATOM 0 H ASN A 6 17.506 39.001 1.238 1.00 13.95 H new ATOM 0 HA ASN A 6 17.217 36.648 -0.290 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.113 39.612 -0.995 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.702 38.361 -2.151 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.576 39.778 -1.684 1.00 26.59 H new ATOM 0 HD22 ASN A 6 13.499 39.059 -0.481 1.00 26.59 H new ATOM 95 N SER A 7 19.904 38.399 -1.024 1.00 0.00 N ATOM 96 CA SER A 7 21.184 38.305 -1.785 1.00 0.00 C ATOM 97 C SER A 7 22.059 37.206 -1.182 1.00 0.00 C ATOM 98 O SER A 7 23.046 36.799 -1.762 1.00 0.00 O ATOM 99 CB SER A 7 21.924 39.641 -1.712 1.00 0.00 C ATOM 100 OG SER A 7 21.118 40.658 -2.293 1.00 0.00 O ATOM 0 H SER A 7 19.825 39.204 -0.402 1.00 0.00 H new ATOM 0 HA SER A 7 20.967 38.067 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.150 39.888 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 7 22.876 39.571 -2.238 1.00 0.00 H new ATOM 0 HG SER A 7 20.419 40.923 -1.660 1.00 0.00 H new ATOM 106 N LYS A 8 21.716 36.733 -0.014 1.00 13.50 N ATOM 107 CA LYS A 8 22.538 35.670 0.634 1.00 11.83 C ATOM 108 C LYS A 8 21.930 34.289 0.363 1.00 12.94 C ATOM 109 O LYS A 8 22.620 33.366 -0.021 1.00 11.22 O ATOM 110 CB LYS A 8 22.584 35.920 2.142 1.00 13.35 C ATOM 111 CG LYS A 8 23.410 37.179 2.424 1.00 9.72 C ATOM 112 CD LYS A 8 23.603 37.338 3.934 1.00 17.72 C ATOM 113 CE LYS A 8 24.186 38.720 4.238 1.00 15.70 C ATOM 114 NZ LYS A 8 25.586 38.795 3.730 1.00 22.87 N ATOM 0 H LYS A 8 20.902 37.037 0.520 1.00 13.50 H new ATOM 0 HA LYS A 8 23.547 35.697 0.222 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.574 36.039 2.533 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.023 35.062 2.651 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.378 37.109 1.929 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.906 38.056 2.017 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.649 37.214 4.447 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.270 36.561 4.309 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.577 39.494 3.771 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.168 38.905 5.312 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 26.015 39.695 4.026 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 26.139 38.004 4.118 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 25.582 38.738 2.692 1.00 22.87 H new ATOM 128 N ILE A 9 20.648 34.132 0.565 1.00 11.05 N ATOM 129 CA ILE A 9 20.019 32.801 0.324 1.00 13.61 C ATOM 130 C ILE A 9 19.781 32.602 -1.174 1.00 12.23 C ATOM 131 O ILE A 9 19.193 33.432 -1.839 1.00 12.72 O ATOM 132 CB ILE A 9 18.687 32.717 1.071 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.780 33.854 0.598 1.00 20.74 C ATOM 134 CG2 ILE A 9 18.940 32.831 2.578 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.819 34.274 1.717 1.00 25.19 C ATOM 0 H ILE A 9 20.013 34.863 0.885 1.00 11.05 H new ATOM 0 HA ILE A 9 20.687 32.020 0.688 1.00 13.61 H new ATOM 0 HB ILE A 9 18.202 31.762 0.868 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.386 34.707 0.291 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.213 33.535 -0.276 1.00 20.74 H new ATOM 0 HG21 ILE A 9 17.991 32.771 3.112 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.590 32.017 2.900 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.419 33.786 2.795 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.181 35.084 1.364 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.201 33.423 2.004 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.392 34.613 2.580 1.00 25.19 H new ATOM 147 N GLN A 10 20.232 31.499 -1.703 1.00 11.13 N ATOM 148 CA GLN A 10 20.041 31.217 -3.152 1.00 10.86 C ATOM 149 C GLN A 10 19.895 29.697 -3.340 1.00 10.00 C ATOM 150 O GLN A 10 20.283 28.941 -2.473 1.00 10.42 O ATOM 151 CB GLN A 10 21.252 31.760 -3.937 1.00 14.27 C ATOM 152 CG GLN A 10 22.187 30.620 -4.357 1.00 22.05 C ATOM 153 CD GLN A 10 23.478 31.209 -4.929 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.504 31.200 -4.278 1.00 32.99 O ATOM 155 NE2 GLN A 10 23.469 31.725 -6.127 1.00 34.61 N ATOM 0 H GLN A 10 20.730 30.774 -1.187 1.00 11.13 H new ATOM 0 HA GLN A 10 19.143 31.707 -3.527 1.00 10.86 H new ATOM 0 HB2 GLN A 10 20.907 32.297 -4.821 1.00 14.27 H new ATOM 0 HB3 GLN A 10 21.798 32.476 -3.322 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.412 29.985 -3.500 1.00 22.05 H new ATOM 0 HG3 GLN A 10 21.700 29.990 -5.102 1.00 22.05 H new ATOM 0 HE21 GLN A 10 22.607 31.732 -6.673 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.324 32.121 -6.518 1.00 34.61 H new ATOM 164 N PRO A 11 19.336 29.288 -4.456 1.00 6.53 N ATOM 165 CA PRO A 11 19.133 27.856 -4.740 1.00 7.75 C ATOM 166 C PRO A 11 20.457 27.088 -4.684 1.00 6.33 C ATOM 167 O PRO A 11 21.431 27.450 -5.314 1.00 9.49 O ATOM 168 CB PRO A 11 18.537 27.813 -6.156 1.00 8.32 C ATOM 169 CG PRO A 11 18.323 29.277 -6.617 1.00 7.94 C ATOM 170 CD PRO A 11 18.868 30.200 -5.516 1.00 11.72 C ATOM 0 HA PRO A 11 18.480 27.386 -4.004 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.208 27.291 -6.838 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.593 27.269 -6.158 1.00 8.32 H new ATOM 0 HG2 PRO A 11 18.839 29.460 -7.559 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.265 29.472 -6.790 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.681 30.823 -5.889 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.095 30.873 -5.146 1.00 11.72 H new ATOM 178 N GLY A 12 20.482 26.013 -3.945 1.00 5.64 N ATOM 179 CA GLY A 12 21.716 25.188 -3.848 1.00 8.39 C ATOM 180 C GLY A 12 22.726 25.828 -2.892 1.00 7.67 C ATOM 181 O GLY A 12 23.921 25.669 -3.051 1.00 10.24 O ATOM 0 H GLY A 12 19.692 25.669 -3.400 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.463 24.187 -3.499 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.163 25.078 -4.836 1.00 8.39 H new ATOM 185 N LYS A 13 22.271 26.546 -1.899 1.00 9.66 N ATOM 186 CA LYS A 13 23.232 27.179 -0.946 1.00 10.29 C ATOM 187 C LYS A 13 22.645 27.184 0.465 1.00 10.20 C ATOM 188 O LYS A 13 21.490 27.502 0.666 1.00 6.89 O ATOM 189 CB LYS A 13 23.517 28.615 -1.390 1.00 9.77 C ATOM 190 CG LYS A 13 24.608 29.225 -0.504 1.00 10.63 C ATOM 191 CD LYS A 13 24.676 30.734 -0.746 1.00 12.04 C ATOM 192 CE LYS A 13 25.956 31.294 -0.124 1.00 19.12 C ATOM 193 NZ LYS A 13 26.138 30.722 1.241 1.00 25.36 N ATOM 0 H LYS A 13 21.285 26.721 -1.707 1.00 9.66 H new ATOM 0 HA LYS A 13 24.160 26.607 -0.941 1.00 10.29 H new ATOM 0 HB2 LYS A 13 23.834 28.627 -2.433 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.608 29.212 -1.326 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.394 29.023 0.546 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.571 28.766 -0.727 1.00 10.63 H new ATOM 0 HD2 LYS A 13 24.658 30.943 -1.816 1.00 12.04 H new ATOM 0 HD3 LYS A 13 23.804 31.222 -0.311 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.814 31.049 -0.750 1.00 19.12 H new ATOM 0 HE3 LYS A 13 25.901 32.381 -0.070 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 26.686 31.385 1.825 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 25.208 30.563 1.678 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 26.647 29.818 1.173 1.00 25.36 H new ATOM 207 N VAL A 14 23.440 26.845 1.448 1.00 10.89 N ATOM 208 CA VAL A 14 22.941 26.839 2.848 1.00 9.99 C ATOM 209 C VAL A 14 23.480 28.066 3.584 1.00 5.01 C ATOM 210 O VAL A 14 24.653 28.375 3.520 1.00 6.68 O ATOM 211 CB VAL A 14 23.413 25.569 3.557 1.00 7.84 C ATOM 212 CG1 VAL A 14 22.886 25.563 4.993 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.875 24.345 2.814 1.00 5.86 C ATOM 0 H VAL A 14 24.416 26.572 1.336 1.00 10.89 H new ATOM 0 HA VAL A 14 21.851 26.865 2.845 1.00 9.99 H new ATOM 0 HB VAL A 14 24.503 25.540 3.569 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.222 24.658 5.500 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.264 26.437 5.523 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.796 25.589 4.981 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.210 23.438 3.317 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.785 24.374 2.806 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.246 24.349 1.789 1.00 5.86 H new ATOM 223 N VAL A 15 22.633 28.765 4.289 1.00 3.11 N ATOM 224 CA VAL A 15 23.091 29.972 5.037 1.00 10.10 C ATOM 225 C VAL A 15 22.391 29.990 6.397 1.00 9.35 C ATOM 226 O VAL A 15 21.255 29.580 6.521 1.00 11.00 O ATOM 227 CB VAL A 15 22.746 31.237 4.223 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.653 32.056 4.921 1.00 15.82 C ATOM 229 CG2 VAL A 15 23.997 32.108 4.068 1.00 10.96 C ATOM 0 H VAL A 15 21.640 28.552 4.380 1.00 3.11 H new ATOM 0 HA VAL A 15 24.170 29.947 5.190 1.00 10.10 H new ATOM 0 HB VAL A 15 22.383 30.923 3.245 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.428 32.942 4.328 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.753 31.449 5.023 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.000 32.359 5.909 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.750 33.000 3.493 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.361 32.400 5.053 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.771 31.544 3.548 1.00 10.96 H new ATOM 239 N VAL A 16 23.063 30.446 7.421 1.00 8.87 N ATOM 240 CA VAL A 16 22.436 30.467 8.771 1.00 5.41 C ATOM 241 C VAL A 16 22.553 31.853 9.407 1.00 6.62 C ATOM 242 O VAL A 16 23.634 32.379 9.584 1.00 8.94 O ATOM 243 CB VAL A 16 23.147 29.458 9.670 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.390 29.331 10.993 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.193 28.095 8.980 1.00 5.31 C ATOM 0 H VAL A 16 24.017 30.804 7.379 1.00 8.87 H new ATOM 0 HA VAL A 16 21.381 30.214 8.664 1.00 5.41 H new ATOM 0 HB VAL A 16 24.164 29.801 9.861 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.897 28.611 11.635 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.359 30.301 11.489 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.373 28.991 10.799 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.701 27.378 9.625 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.177 27.751 8.785 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.734 28.182 8.038 1.00 5.31 H new ATOM 255 N PHE A 17 21.446 32.426 9.796 1.00 5.51 N ATOM 256 CA PHE A 17 21.486 33.751 10.468 1.00 5.80 C ATOM 257 C PHE A 17 21.610 33.498 11.970 1.00 7.23 C ATOM 258 O PHE A 17 20.795 32.818 12.560 1.00 5.39 O ATOM 259 CB PHE A 17 20.199 34.515 10.156 1.00 5.73 C ATOM 260 CG PHE A 17 20.212 34.912 8.700 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.859 33.979 7.719 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.592 36.208 8.328 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.883 34.340 6.367 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.619 36.569 6.976 1.00 5.88 C ATOM 265 CZ PHE A 17 20.264 35.635 5.995 1.00 5.73 C ATOM 0 H PHE A 17 20.514 32.030 9.676 1.00 5.51 H new ATOM 0 HA PHE A 17 22.329 34.347 10.118 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.329 33.894 10.370 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.122 35.400 10.788 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.568 32.979 8.005 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.864 36.929 9.085 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.608 33.620 5.611 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.914 37.568 6.689 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.284 35.913 4.952 1.00 5.73 H new ATOM 275 N ILE A 18 22.647 33.999 12.587 1.00 8.64 N ATOM 276 CA ILE A 18 22.845 33.739 14.044 1.00 6.83 C ATOM 277 C ILE A 18 23.129 35.033 14.802 1.00 10.62 C ATOM 278 O ILE A 18 23.113 36.120 14.259 1.00 6.74 O ATOM 279 CB ILE A 18 24.046 32.797 14.216 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.268 33.380 13.498 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.721 31.427 13.617 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.534 32.692 14.011 1.00 8.36 C ATOM 0 H ILE A 18 23.364 34.576 12.147 1.00 8.64 H new ATOM 0 HA ILE A 18 21.934 33.293 14.444 1.00 6.83 H new ATOM 0 HB ILE A 18 24.261 32.689 15.279 1.00 6.39 H new ATOM 0 HG12 ILE A 18 25.174 33.237 12.422 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.328 34.454 13.673 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.576 30.763 13.742 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.855 31.003 14.126 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.499 31.537 12.556 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.405 33.105 13.502 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.629 32.858 15.084 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.472 31.622 13.813 1.00 8.36 H new ATOM 294 N LYS A 19 23.404 34.891 16.066 1.00 12.12 N ATOM 295 CA LYS A 19 23.721 36.054 16.933 1.00 15.62 C ATOM 296 C LYS A 19 24.701 35.553 18.001 1.00 16.36 C ATOM 297 O LYS A 19 24.276 35.136 19.058 1.00 13.35 O ATOM 298 CB LYS A 19 22.442 36.553 17.627 1.00 18.25 C ATOM 299 CG LYS A 19 21.637 37.468 16.685 1.00 25.24 C ATOM 300 CD LYS A 19 20.998 38.611 17.486 1.00 30.64 C ATOM 301 CE LYS A 19 19.917 38.050 18.411 1.00 31.75 C ATOM 302 NZ LYS A 19 19.554 39.076 19.429 1.00 38.73 N ATOM 0 H LYS A 19 23.422 33.991 16.546 1.00 12.12 H new ATOM 0 HA LYS A 19 24.143 36.871 16.347 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.830 35.703 17.928 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.703 37.096 18.535 1.00 18.25 H new ATOM 0 HG2 LYS A 19 22.290 37.874 15.913 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.864 36.892 16.177 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.759 39.128 18.071 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.564 39.346 16.807 1.00 30.64 H new ATOM 0 HE2 LYS A 19 19.037 37.770 17.832 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.277 37.146 18.902 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.819 38.695 20.059 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.395 39.323 19.988 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 19.194 39.927 18.951 1.00 38.73 H new ATOM 316 N PRO A 20 25.978 35.569 17.691 1.00 17.46 N ATOM 317 CA PRO A 20 27.008 35.075 18.620 1.00 20.12 C ATOM 318 C PRO A 20 26.748 35.577 20.041 1.00 24.12 C ATOM 319 O PRO A 20 27.397 36.480 20.531 1.00 24.58 O ATOM 320 CB PRO A 20 28.328 35.600 18.048 1.00 20.63 C ATOM 321 CG PRO A 20 28.036 36.108 16.613 1.00 18.08 C ATOM 322 CD PRO A 20 26.509 36.089 16.415 1.00 17.14 C ATOM 0 HA PRO A 20 27.016 33.988 18.701 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.723 36.405 18.668 1.00 20.63 H new ATOM 0 HB3 PRO A 20 29.081 34.812 18.031 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.427 37.116 16.476 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.526 35.473 15.875 1.00 18.08 H new ATOM 0 HD2 PRO A 20 26.124 37.086 16.202 1.00 17.14 H new ATOM 0 HD3 PRO A 20 26.225 35.452 15.578 1.00 17.14 H new ATOM 330 N THR A 21 25.799 34.974 20.701 1.00 24.78 N ATOM 331 CA THR A 21 25.461 35.369 22.093 1.00 27.36 C ATOM 332 C THR A 21 24.461 34.358 22.653 1.00 24.99 C ATOM 333 O THR A 21 24.470 34.043 23.827 1.00 26.49 O ATOM 334 CB THR A 21 24.831 36.766 22.102 1.00 28.64 C ATOM 335 OG1 THR A 21 25.686 37.677 21.427 1.00 30.99 O ATOM 336 CG2 THR A 21 24.630 37.232 23.545 1.00 34.82 C ATOM 0 H THR A 21 25.235 34.211 20.326 1.00 24.78 H new ATOM 0 HA THR A 21 26.365 35.386 22.702 1.00 27.36 H new ATOM 0 HB THR A 21 23.866 36.728 21.596 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.615 37.373 21.505 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.182 38.226 23.547 1.00 34.82 H new ATOM 0 HG22 THR A 21 23.971 36.536 24.064 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.593 37.267 24.053 1.00 34.82 H new ATOM 344 N CYS A 22 23.594 33.844 21.816 1.00 21.46 N ATOM 345 CA CYS A 22 22.588 32.850 22.291 1.00 17.23 C ATOM 346 C CYS A 22 23.078 31.423 21.962 1.00 14.71 C ATOM 347 O CYS A 22 23.455 31.157 20.837 1.00 13.71 O ATOM 348 CB CYS A 22 21.250 33.121 21.594 1.00 15.71 C ATOM 349 SG CYS A 22 19.906 32.914 22.792 1.00 9.78 S ATOM 0 H CYS A 22 23.541 34.072 20.823 1.00 21.46 H new ATOM 0 HA CYS A 22 22.458 32.939 23.370 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.237 34.131 21.185 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.116 32.436 20.757 1.00 15.71 H new ATOM 354 N PRO A 23 23.067 30.543 22.945 1.00 13.86 N ATOM 355 CA PRO A 23 23.518 29.147 22.755 1.00 13.47 C ATOM 356 C PRO A 23 22.694 28.414 21.686 1.00 8.59 C ATOM 357 O PRO A 23 23.125 27.413 21.150 1.00 10.79 O ATOM 358 CB PRO A 23 23.323 28.478 24.120 1.00 11.94 C ATOM 359 CG PRO A 23 22.846 29.560 25.110 1.00 7.24 C ATOM 360 CD PRO A 23 22.619 30.857 24.317 1.00 12.58 C ATOM 0 HA PRO A 23 24.552 29.115 22.410 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.590 27.674 24.050 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.256 28.030 24.463 1.00 11.94 H new ATOM 0 HG2 PRO A 23 21.925 29.248 25.603 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.589 29.716 25.892 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.570 31.152 24.333 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.189 31.684 24.740 1.00 12.58 H new ATOM 368 N TYR A 24 21.519 28.885 21.370 1.00 0.00 N ATOM 369 CA TYR A 24 20.701 28.180 20.338 1.00 0.00 C ATOM 370 C TYR A 24 21.318 28.398 18.962 1.00 0.00 C ATOM 371 O TYR A 24 21.396 27.491 18.158 1.00 0.00 O ATOM 372 CB TYR A 24 19.264 28.709 20.354 1.00 0.00 C ATOM 373 CG TYR A 24 18.470 27.959 21.394 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.597 28.288 22.748 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.613 26.925 20.999 1.00 0.00 C ATOM 376 CE1 TYR A 24 17.865 27.581 23.710 1.00 0.00 C ATOM 377 CE2 TYR A 24 16.880 26.219 21.960 1.00 0.00 C ATOM 378 CZ TYR A 24 17.007 26.547 23.316 1.00 0.00 C ATOM 379 OH TYR A 24 16.288 25.849 24.264 1.00 0.00 O ATOM 0 H TYR A 24 21.092 29.718 21.775 1.00 0.00 H new ATOM 0 HA TYR A 24 20.685 27.113 20.562 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.259 29.776 20.576 1.00 0.00 H new ATOM 0 HB3 TYR A 24 18.808 28.585 19.372 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.259 29.086 23.051 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.517 26.672 19.953 1.00 0.00 H new ATOM 0 HE1 TYR A 24 17.962 27.833 24.756 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.217 25.422 21.656 1.00 0.00 H new ATOM 0 HH TYR A 24 15.741 25.166 23.822 1.00 0.00 H new ATOM 389 N SER A 25 21.770 29.583 18.683 1.00 0.00 N ATOM 390 CA SER A 25 22.392 29.830 17.357 1.00 0.00 C ATOM 391 C SER A 25 23.683 29.010 17.267 1.00 0.00 C ATOM 392 O SER A 25 24.055 28.532 16.214 1.00 0.00 O ATOM 393 CB SER A 25 22.706 31.318 17.207 1.00 0.00 C ATOM 394 OG SER A 25 21.861 32.064 18.071 1.00 0.00 O ATOM 0 H SER A 25 21.737 30.387 19.310 1.00 0.00 H new ATOM 0 HA SER A 25 21.710 29.535 16.560 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.752 31.507 17.449 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.557 31.631 16.174 1.00 0.00 H new ATOM 0 HG SER A 25 22.309 32.197 18.932 1.00 0.00 H new ATOM 400 N ARG A 26 24.356 28.829 18.372 1.00 16.21 N ATOM 401 CA ARG A 26 25.612 28.022 18.361 1.00 15.67 C ATOM 402 C ARG A 26 25.276 26.588 17.941 1.00 13.70 C ATOM 403 O ARG A 26 25.952 25.996 17.125 1.00 12.41 O ATOM 404 CB ARG A 26 26.228 28.007 19.770 1.00 22.04 C ATOM 405 CG ARG A 26 27.481 28.890 19.812 1.00 31.64 C ATOM 406 CD ARG A 26 28.672 28.131 19.219 1.00 43.08 C ATOM 407 NE ARG A 26 29.930 28.864 19.534 1.00 52.93 N ATOM 408 CZ ARG A 26 31.084 28.269 19.395 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.132 27.027 18.996 1.00 58.61 N ATOM 410 NH2 ARG A 26 32.187 28.914 19.660 1.00 59.59 N ATOM 0 H ARG A 26 24.091 29.205 19.282 1.00 16.21 H new ATOM 0 HA ARG A 26 26.324 28.459 17.661 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.499 28.364 20.497 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.485 26.986 20.051 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.308 29.809 19.252 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.698 29.180 20.840 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.714 27.121 19.627 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.555 28.034 18.140 1.00 43.08 H new ATOM 0 HE ARG A 26 29.890 29.830 19.858 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.269 26.523 18.793 1.00 58.61 H new ATOM 0 HH12 ARG A 26 32.033 26.561 18.887 1.00 58.61 H new ATOM 0 HH21 ARG A 26 32.148 29.883 19.976 1.00 59.59 H new ATOM 0 HH22 ARG A 26 33.088 28.449 19.551 1.00 59.59 H new ATOM 424 N ARG A 27 24.237 26.025 18.498 1.00 0.00 N ATOM 425 CA ARG A 27 23.862 24.630 18.133 1.00 0.00 C ATOM 426 C ARG A 27 23.820 24.505 16.610 1.00 0.00 C ATOM 427 O ARG A 27 24.332 23.561 16.043 1.00 0.00 O ATOM 428 CB ARG A 27 22.482 24.300 18.719 1.00 0.00 C ATOM 429 CG ARG A 27 22.652 23.598 20.070 1.00 0.00 C ATOM 430 CD ARG A 27 21.351 23.688 20.870 1.00 0.00 C ATOM 431 NE ARG A 27 21.583 23.164 22.246 1.00 0.00 N ATOM 432 CZ ARG A 27 20.715 23.400 23.192 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.635 24.085 22.931 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.926 22.949 24.399 1.00 0.00 N ATOM 0 H ARG A 27 23.633 26.471 19.189 1.00 0.00 H new ATOM 0 HA ARG A 27 24.597 23.933 18.536 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.900 25.214 18.843 1.00 0.00 H new ATOM 0 HB3 ARG A 27 21.928 23.660 18.032 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.923 22.554 19.916 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.466 24.059 20.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.009 24.722 20.915 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.567 23.114 20.377 1.00 0.00 H new ATOM 0 HE ARG A 27 22.422 22.620 22.449 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.469 24.436 21.988 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.957 24.269 23.670 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.769 22.412 24.603 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.248 23.133 25.138 1.00 0.00 H new ATOM 448 N ALA A 28 23.221 25.450 15.940 1.00 0.00 N ATOM 449 CA ALA A 28 23.164 25.372 14.456 1.00 0.00 C ATOM 450 C ALA A 28 24.590 25.364 13.908 1.00 0.00 C ATOM 451 O ALA A 28 24.901 24.672 12.960 1.00 0.00 O ATOM 452 CB ALA A 28 22.410 26.584 13.904 1.00 0.00 C ATOM 0 H ALA A 28 22.772 26.267 16.353 1.00 0.00 H new ATOM 0 HA ALA A 28 22.645 24.462 14.154 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.370 26.523 12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.396 26.595 14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.926 27.498 14.198 1.00 0.00 H new ATOM 458 N GLN A 29 25.458 26.132 14.503 1.00 19.83 N ATOM 459 CA GLN A 29 26.868 26.177 14.031 1.00 20.83 C ATOM 460 C GLN A 29 27.566 24.859 14.369 1.00 20.95 C ATOM 461 O GLN A 29 28.315 24.315 13.581 1.00 22.85 O ATOM 462 CB GLN A 29 27.597 27.324 14.736 1.00 21.33 C ATOM 463 CG GLN A 29 27.021 28.674 14.283 1.00 34.02 C ATOM 464 CD GLN A 29 28.141 29.717 14.221 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.407 30.398 15.190 1.00 42.72 O ATOM 466 NE2 GLN A 29 28.813 29.869 13.112 1.00 45.49 N ATOM 0 H GLN A 29 25.250 26.733 15.300 1.00 19.83 H new ATOM 0 HA GLN A 29 26.884 26.331 12.952 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.495 27.220 15.816 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.663 27.281 14.511 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.552 28.571 13.304 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.245 29.000 14.975 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.590 29.297 12.298 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.562 30.560 13.060 1.00 45.49 H new ATOM 475 N GLU A 30 27.336 24.357 15.547 1.00 22.87 N ATOM 476 CA GLU A 30 27.990 23.088 15.973 1.00 23.32 C ATOM 477 C GLU A 30 27.437 21.891 15.186 1.00 22.32 C ATOM 478 O GLU A 30 28.154 20.959 14.884 1.00 25.42 O ATOM 479 CB GLU A 30 27.732 22.875 17.466 1.00 24.18 C ATOM 480 CG GLU A 30 28.586 23.851 18.279 1.00 32.27 C ATOM 481 CD GLU A 30 28.402 23.573 19.772 1.00 34.97 C ATOM 482 OE1 GLU A 30 27.285 23.282 20.168 1.00 34.69 O ATOM 483 OE2 GLU A 30 29.382 23.656 20.495 1.00 32.92 O ATOM 0 H GLU A 30 26.717 24.775 16.241 1.00 22.87 H new ATOM 0 HA GLU A 30 29.060 23.162 15.777 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.676 23.028 17.688 1.00 24.18 H new ATOM 0 HB3 GLU A 30 27.971 21.848 17.744 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.636 23.746 18.006 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.299 24.878 18.052 1.00 32.27 H new ATOM 490 N ILE A 31 26.169 21.890 14.871 1.00 0.00 N ATOM 491 CA ILE A 31 25.593 20.727 14.129 1.00 0.00 C ATOM 492 C ILE A 31 25.941 20.816 12.636 1.00 0.00 C ATOM 493 O ILE A 31 26.524 19.907 12.080 1.00 0.00 O ATOM 494 CB ILE A 31 24.070 20.689 14.340 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.522 19.299 13.969 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.382 21.768 13.503 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.747 18.993 12.481 1.00 0.00 C ATOM 0 H ILE A 31 25.511 22.637 15.092 1.00 0.00 H new ATOM 0 HA ILE A 31 26.024 19.803 14.515 1.00 0.00 H new ATOM 0 HB ILE A 31 23.861 20.885 15.392 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.011 18.538 14.577 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.457 19.253 14.196 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.305 21.724 13.667 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.754 22.749 13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.596 21.601 12.447 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.350 18.005 12.249 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.237 19.741 11.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.815 19.015 12.262 1.00 0.00 H new ATOM 509 N LEU A 32 25.596 21.887 11.974 1.00 16.72 N ATOM 510 CA LEU A 32 25.920 21.992 10.525 1.00 15.05 C ATOM 511 C LEU A 32 27.431 21.900 10.327 1.00 15.55 C ATOM 512 O LEU A 32 27.908 21.597 9.251 1.00 17.28 O ATOM 513 CB LEU A 32 25.393 23.324 9.979 1.00 12.57 C ATOM 514 CG LEU A 32 23.971 23.132 9.428 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.179 24.432 9.573 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.043 22.748 7.944 1.00 12.45 C ATOM 0 H LEU A 32 25.107 22.689 12.372 1.00 16.72 H new ATOM 0 HA LEU A 32 25.445 21.173 9.984 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.389 24.076 10.768 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.052 23.692 9.192 1.00 12.57 H new ATOM 0 HG LEU A 32 23.475 22.340 9.989 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.172 24.290 9.181 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.123 24.708 10.626 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.677 25.225 9.016 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.034 22.612 7.554 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.544 23.540 7.387 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.602 21.819 7.835 1.00 12.45 H new ATOM 528 N SER A 33 28.191 22.149 11.354 1.00 16.31 N ATOM 529 CA SER A 33 29.668 22.061 11.215 1.00 18.98 C ATOM 530 C SER A 33 30.054 20.608 10.936 1.00 18.49 C ATOM 531 O SER A 33 31.064 20.329 10.321 1.00 21.34 O ATOM 532 CB SER A 33 30.329 22.528 12.512 1.00 19.20 C ATOM 533 OG SER A 33 31.568 21.852 12.678 1.00 24.11 O ATOM 0 H SER A 33 27.854 22.409 12.281 1.00 16.31 H new ATOM 0 HA SER A 33 30.002 22.694 10.393 1.00 18.98 H new ATOM 0 HB2 SER A 33 30.491 23.606 12.484 1.00 19.20 H new ATOM 0 HB3 SER A 33 29.675 22.326 13.360 1.00 19.20 H new ATOM 0 HG SER A 33 31.406 20.959 13.049 1.00 24.11 H new ATOM 539 N GLN A 34 29.258 19.678 11.392 1.00 20.00 N ATOM 540 CA GLN A 34 29.573 18.242 11.166 1.00 24.71 C ATOM 541 C GLN A 34 28.942 17.755 9.854 1.00 23.33 C ATOM 542 O GLN A 34 29.017 16.588 9.525 1.00 26.27 O ATOM 543 CB GLN A 34 29.013 17.416 12.325 1.00 28.15 C ATOM 544 CG GLN A 34 29.405 18.058 13.658 1.00 37.01 C ATOM 545 CD GLN A 34 30.929 18.086 13.787 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.571 19.198 13.553 1.00 44.07 O flip ATOM 547 NE2 GLN A 34 31.542 17.086 14.105 1.00 41.20 N flip ATOM 0 H GLN A 34 28.399 19.855 11.914 1.00 20.00 H new ATOM 0 HA GLN A 34 30.655 18.124 11.106 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.928 17.353 12.247 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.396 16.397 12.275 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.007 19.071 13.716 1.00 37.01 H new ATOM 0 HG3 GLN A 34 28.970 17.497 14.485 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.040 16.217 14.288 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.558 17.116 14.189 1.00 41.20 H new ATOM 556 N LEU A 35 28.314 18.624 9.104 1.00 19.63 N ATOM 557 CA LEU A 35 27.679 18.182 7.829 1.00 15.93 C ATOM 558 C LEU A 35 28.670 18.364 6.661 1.00 13.36 C ATOM 559 O LEU A 35 29.183 19.448 6.466 1.00 16.12 O ATOM 560 CB LEU A 35 26.426 19.032 7.574 1.00 13.69 C ATOM 561 CG LEU A 35 25.228 18.481 8.367 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.987 19.331 8.073 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.945 17.026 7.957 1.00 16.28 C ATOM 0 H LEU A 35 28.214 19.616 9.319 1.00 19.63 H new ATOM 0 HA LEU A 35 27.405 17.130 7.903 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.616 20.066 7.863 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.193 19.036 6.509 1.00 13.69 H new ATOM 0 HG LEU A 35 25.463 18.517 9.431 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.138 18.941 8.634 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.175 20.363 8.369 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.765 19.294 7.007 1.00 11.03 H new ATOM 0 HD21 LEU A 35 24.095 16.647 8.525 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.717 16.986 6.892 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.822 16.413 8.163 1.00 16.28 H new ATOM 575 N PRO A 36 28.913 17.304 5.911 1.00 16.38 N ATOM 576 CA PRO A 36 29.839 17.359 4.764 1.00 17.59 C ATOM 577 C PRO A 36 29.246 18.236 3.657 1.00 19.11 C ATOM 578 O PRO A 36 28.888 17.767 2.594 1.00 21.54 O ATOM 579 CB PRO A 36 29.965 15.904 4.294 1.00 16.71 C ATOM 580 CG PRO A 36 28.855 15.100 5.005 1.00 16.59 C ATOM 581 CD PRO A 36 28.303 15.979 6.136 1.00 15.74 C ATOM 0 HA PRO A 36 30.807 17.788 5.025 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.855 15.838 3.212 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.948 15.503 4.540 1.00 16.71 H new ATOM 0 HG2 PRO A 36 28.064 14.835 4.304 1.00 16.59 H new ATOM 0 HG3 PRO A 36 29.253 14.167 5.404 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.215 16.033 6.101 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.571 15.580 7.114 1.00 15.74 H new ATOM 589 N ILE A 37 29.140 19.505 3.905 1.00 0.00 N ATOM 590 CA ILE A 37 28.573 20.427 2.882 1.00 0.00 C ATOM 591 C ILE A 37 29.647 20.745 1.844 1.00 0.00 C ATOM 592 O ILE A 37 30.827 20.744 2.133 1.00 0.00 O ATOM 593 CB ILE A 37 28.116 21.721 3.557 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.963 21.410 4.526 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.660 22.720 2.488 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.618 21.456 3.792 1.00 0.00 C ATOM 0 H ILE A 37 29.423 19.950 4.778 1.00 0.00 H new ATOM 0 HA ILE A 37 27.720 19.954 2.395 1.00 0.00 H new ATOM 0 HB ILE A 37 28.942 22.158 4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 37 27.108 20.425 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.963 22.131 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.334 23.643 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.489 22.935 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.832 22.294 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.813 21.234 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.468 22.450 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.616 20.717 2.990 1.00 0.00 H new ATOM 608 N LYS A 38 29.246 21.004 0.632 1.00 12.68 N ATOM 609 CA LYS A 38 30.237 21.308 -0.434 1.00 12.78 C ATOM 610 C LYS A 38 31.150 22.456 0.005 1.00 14.66 C ATOM 611 O LYS A 38 31.137 22.870 1.147 1.00 13.94 O ATOM 612 CB LYS A 38 29.497 21.681 -1.720 1.00 11.68 C ATOM 613 CG LYS A 38 28.396 20.649 -1.991 1.00 12.28 C ATOM 614 CD LYS A 38 27.999 20.686 -3.474 1.00 13.74 C ATOM 615 CE LYS A 38 28.821 19.659 -4.259 1.00 20.88 C ATOM 616 NZ LYS A 38 30.267 20.004 -4.166 1.00 29.41 N ATOM 0 H LYS A 38 28.271 21.018 0.333 1.00 12.68 H new ATOM 0 HA LYS A 38 30.854 20.428 -0.616 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.063 22.677 -1.627 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.194 21.714 -2.557 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.746 19.652 -1.724 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.527 20.859 -1.367 1.00 12.28 H new ATOM 0 HD2 LYS A 38 26.936 20.472 -3.580 1.00 13.74 H new ATOM 0 HD3 LYS A 38 28.165 21.684 -3.879 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.649 18.659 -3.861 1.00 20.88 H new ATOM 0 HE3 LYS A 38 28.506 19.646 -5.302 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 30.804 19.439 -4.854 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 30.397 21.015 -4.372 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 30.612 19.799 -3.206 1.00 29.41 H new ATOM 630 N GLN A 39 31.958 22.951 -0.896 1.00 0.00 N ATOM 631 CA GLN A 39 32.904 24.057 -0.556 1.00 0.00 C ATOM 632 C GLN A 39 32.182 25.219 0.140 1.00 0.00 C ATOM 633 O GLN A 39 31.455 25.036 1.095 1.00 0.00 O ATOM 634 CB GLN A 39 33.572 24.561 -1.839 1.00 0.00 C ATOM 635 CG GLN A 39 34.268 23.392 -2.545 1.00 0.00 C ATOM 636 CD GLN A 39 35.234 23.930 -3.603 1.00 0.00 C ATOM 637 OE1 GLN A 39 35.246 23.462 -4.724 1.00 0.00 O ATOM 638 NE2 GLN A 39 36.052 24.899 -3.293 1.00 0.00 N ATOM 0 H GLN A 39 32.004 22.633 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 39 33.655 23.668 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 39 32.827 25.007 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.296 25.341 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 39 34.810 22.786 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 39 33.527 22.743 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.043 25.293 -2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.700 25.262 -3.992 1.00 0.00 H new ATOM 647 N GLY A 40 32.408 26.421 -0.319 1.00 11.96 N ATOM 648 CA GLY A 40 31.773 27.609 0.322 1.00 8.67 C ATOM 649 C GLY A 40 30.253 27.559 0.179 1.00 10.51 C ATOM 650 O GLY A 40 29.630 28.522 -0.221 1.00 15.27 O ATOM 0 H GLY A 40 33.009 26.632 -1.116 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.042 27.645 1.378 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.155 28.522 -0.135 1.00 8.67 H new ATOM 654 N LEU A 41 29.652 26.454 0.512 1.00 8.78 N ATOM 655 CA LEU A 41 28.164 26.354 0.408 1.00 6.78 C ATOM 656 C LEU A 41 27.544 26.535 1.797 1.00 7.45 C ATOM 657 O LEU A 41 26.370 26.816 1.928 1.00 2.18 O ATOM 658 CB LEU A 41 27.772 24.983 -0.166 1.00 6.98 C ATOM 659 CG LEU A 41 26.903 25.159 -1.423 1.00 7.77 C ATOM 660 CD1 LEU A 41 27.795 25.409 -2.640 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.075 23.892 -1.656 1.00 6.68 C ATOM 0 H LEU A 41 30.122 25.615 0.852 1.00 8.78 H new ATOM 0 HA LEU A 41 27.794 27.134 -0.257 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.669 24.414 -0.412 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.227 24.410 0.584 1.00 6.98 H new ATOM 0 HG LEU A 41 26.238 26.011 -1.280 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.174 25.533 -3.527 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.384 26.312 -2.480 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.464 24.560 -2.781 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.460 24.018 -2.547 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.742 23.041 -1.793 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.433 23.714 -0.794 1.00 6.68 H new ATOM 673 N LEU A 42 28.326 26.387 2.832 1.00 7.13 N ATOM 674 CA LEU A 42 27.788 26.566 4.214 1.00 6.20 C ATOM 675 C LEU A 42 28.335 27.876 4.781 1.00 5.03 C ATOM 676 O LEU A 42 29.520 28.137 4.718 1.00 5.38 O ATOM 677 CB LEU A 42 28.238 25.397 5.099 1.00 3.82 C ATOM 678 CG LEU A 42 27.751 25.612 6.538 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.220 25.691 6.567 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.215 24.443 7.412 1.00 2.48 C ATOM 0 H LEU A 42 29.317 26.149 2.781 1.00 7.13 H new ATOM 0 HA LEU A 42 26.699 26.593 4.189 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.841 24.460 4.708 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.325 25.315 5.082 1.00 3.82 H new ATOM 0 HG LEU A 42 28.165 26.545 6.920 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.883 25.844 7.592 1.00 3.57 H new ATOM 0 HD12 LEU A 42 25.887 26.524 5.948 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.800 24.762 6.182 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.870 24.594 8.435 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.802 23.512 7.024 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.304 24.390 7.401 1.00 2.48 H new ATOM 692 N GLU A 43 27.489 28.707 5.328 1.00 5.92 N ATOM 693 CA GLU A 43 27.981 30.000 5.886 1.00 7.54 C ATOM 694 C GLU A 43 27.237 30.341 7.179 1.00 6.00 C ATOM 695 O GLU A 43 26.241 29.733 7.522 1.00 4.97 O ATOM 696 CB GLU A 43 27.748 31.116 4.857 1.00 8.77 C ATOM 697 CG GLU A 43 28.858 32.171 4.967 1.00 16.17 C ATOM 698 CD GLU A 43 30.046 31.758 4.095 1.00 21.65 C ATOM 699 OE1 GLU A 43 29.818 31.381 2.957 1.00 19.19 O ATOM 700 OE2 GLU A 43 31.164 31.826 4.580 1.00 22.03 O ATOM 0 H GLU A 43 26.485 28.548 5.413 1.00 5.92 H new ATOM 0 HA GLU A 43 29.045 29.909 6.105 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.732 30.697 3.851 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.776 31.580 5.025 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.482 33.144 4.650 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.174 32.274 6.005 1.00 16.17 H new ATOM 707 N PHE A 44 27.716 31.330 7.883 1.00 7.78 N ATOM 708 CA PHE A 44 27.060 31.762 9.149 1.00 9.60 C ATOM 709 C PHE A 44 26.915 33.283 9.099 1.00 6.71 C ATOM 710 O PHE A 44 27.887 34.011 9.141 1.00 6.85 O ATOM 711 CB PHE A 44 27.930 31.354 10.341 1.00 12.09 C ATOM 712 CG PHE A 44 28.343 29.909 10.185 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.477 28.883 10.586 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.591 29.594 9.633 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.859 27.546 10.434 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.973 28.256 9.483 1.00 16.33 C ATOM 717 CZ PHE A 44 29.107 27.232 9.883 1.00 10.85 C ATOM 0 H PHE A 44 28.547 31.865 7.630 1.00 7.78 H new ATOM 0 HA PHE A 44 26.082 31.293 9.260 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.812 31.992 10.398 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.379 31.488 11.272 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.515 29.125 11.012 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.259 30.384 9.323 1.00 15.90 H new ATOM 0 HE1 PHE A 44 27.191 26.755 10.742 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.936 28.014 9.059 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.402 26.199 9.767 1.00 10.85 H new ATOM 727 N VAL A 45 25.711 33.768 8.967 1.00 6.10 N ATOM 728 CA VAL A 45 25.505 35.241 8.863 1.00 6.58 C ATOM 729 C VAL A 45 25.192 35.854 10.231 1.00 6.12 C ATOM 730 O VAL A 45 24.091 35.753 10.733 1.00 5.14 O ATOM 731 CB VAL A 45 24.336 35.509 7.916 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.014 37.004 7.905 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.715 35.053 6.506 1.00 2.33 C ATOM 0 H VAL A 45 24.860 33.207 8.927 1.00 6.10 H new ATOM 0 HA VAL A 45 26.421 35.695 8.485 1.00 6.58 H new ATOM 0 HB VAL A 45 23.459 34.958 8.254 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.180 37.192 7.229 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.745 37.326 8.911 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.887 37.562 7.567 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.884 35.242 5.827 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.592 35.605 6.169 1.00 2.33 H new ATOM 0 HG23 VAL A 45 24.939 33.986 6.517 1.00 2.33 H new ATOM 743 N ASP A 46 26.152 36.513 10.821 1.00 6.79 N ATOM 744 CA ASP A 46 25.919 37.165 12.137 1.00 6.49 C ATOM 745 C ASP A 46 25.208 38.502 11.906 1.00 9.11 C ATOM 746 O ASP A 46 25.821 39.480 11.524 1.00 7.52 O ATOM 747 CB ASP A 46 27.266 37.408 12.820 1.00 7.84 C ATOM 748 CG ASP A 46 28.180 36.203 12.586 1.00 10.03 C ATOM 749 OD1 ASP A 46 28.418 35.880 11.433 1.00 15.32 O ATOM 750 OD2 ASP A 46 28.625 35.623 13.562 1.00 10.50 O ATOM 0 H ASP A 46 27.093 36.627 10.444 1.00 6.79 H new ATOM 0 HA ASP A 46 25.303 36.527 12.771 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.729 38.312 12.424 1.00 7.84 H new ATOM 0 HB3 ASP A 46 27.121 37.566 13.889 1.00 7.84 H new ATOM 755 N ILE A 47 23.922 38.554 12.117 1.00 8.21 N ATOM 756 CA ILE A 47 23.182 39.829 11.889 1.00 8.33 C ATOM 757 C ILE A 47 23.679 40.909 12.855 1.00 10.92 C ATOM 758 O ILE A 47 23.315 42.062 12.745 1.00 9.40 O ATOM 759 CB ILE A 47 21.685 39.598 12.101 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.453 38.933 13.459 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.151 38.685 10.997 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.954 38.919 13.770 1.00 7.93 C ATOM 0 H ILE A 47 23.352 37.771 12.437 1.00 8.21 H new ATOM 0 HA ILE A 47 23.358 40.163 10.866 1.00 8.33 H new ATOM 0 HB ILE A 47 21.165 40.556 12.072 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.843 37.915 13.449 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.992 39.473 14.237 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.084 38.519 11.146 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.313 39.154 10.027 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.675 37.730 11.030 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.788 38.445 14.737 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.579 39.942 13.797 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.427 38.360 12.997 1.00 7.93 H new ATOM 774 N THR A 48 24.514 40.551 13.793 1.00 13.41 N ATOM 775 CA THR A 48 25.035 41.562 14.756 1.00 16.67 C ATOM 776 C THR A 48 26.439 41.975 14.324 1.00 16.58 C ATOM 777 O THR A 48 27.357 42.035 15.116 1.00 18.03 O ATOM 778 CB THR A 48 25.081 40.963 16.164 1.00 15.80 C ATOM 779 OG1 THR A 48 25.593 41.930 17.070 1.00 21.06 O ATOM 780 CG2 THR A 48 25.979 39.726 16.176 1.00 21.72 C ATOM 0 H THR A 48 24.858 39.601 13.934 1.00 13.41 H new ATOM 0 HA THR A 48 24.380 42.433 14.766 1.00 16.67 H new ATOM 0 HB THR A 48 24.074 40.675 16.465 1.00 15.80 H new ATOM 0 HG1 THR A 48 26.395 42.344 16.688 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.006 39.306 17.181 1.00 21.72 H new ATOM 0 HG22 THR A 48 25.584 38.983 15.483 1.00 21.72 H new ATOM 0 HG23 THR A 48 26.988 40.006 15.872 1.00 21.72 H new ATOM 788 N ALA A 49 26.605 42.260 13.065 1.00 15.36 N ATOM 789 CA ALA A 49 27.942 42.671 12.560 1.00 18.08 C ATOM 790 C ALA A 49 27.763 43.471 11.270 1.00 20.63 C ATOM 791 O ALA A 49 28.674 43.609 10.478 1.00 22.45 O ATOM 792 CB ALA A 49 28.789 41.429 12.274 1.00 18.76 C ATOM 0 H ALA A 49 25.868 42.226 12.360 1.00 15.36 H new ATOM 0 HA ALA A 49 28.444 43.283 13.310 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.768 41.734 11.904 1.00 18.76 H new ATOM 0 HB2 ALA A 49 28.911 40.853 13.191 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.292 40.815 11.523 1.00 18.76 H new ATOM 798 N THR A 50 26.588 44.000 11.057 1.00 22.30 N ATOM 799 CA THR A 50 26.335 44.796 9.822 1.00 25.27 C ATOM 800 C THR A 50 25.381 45.951 10.144 1.00 24.34 C ATOM 801 O THR A 50 25.103 46.785 9.306 1.00 25.49 O ATOM 802 CB THR A 50 25.703 43.896 8.756 1.00 22.85 C ATOM 803 OG1 THR A 50 25.536 44.636 7.555 1.00 23.28 O ATOM 804 CG2 THR A 50 24.340 43.399 9.243 1.00 25.63 C ATOM 0 H THR A 50 25.790 43.915 11.687 1.00 22.30 H new ATOM 0 HA THR A 50 27.278 45.196 9.449 1.00 25.27 H new ATOM 0 HB THR A 50 26.353 43.041 8.572 1.00 22.85 H new ATOM 0 HG1 THR A 50 25.294 45.561 7.771 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.893 42.759 8.482 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.468 42.832 10.165 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.687 44.252 9.429 1.00 25.63 H new ATOM 812 N ASN A 51 24.875 45.999 11.350 1.00 0.00 N ATOM 813 CA ASN A 51 23.933 47.090 11.741 1.00 0.00 C ATOM 814 C ASN A 51 22.530 46.740 11.241 1.00 0.00 C ATOM 815 O ASN A 51 22.326 45.733 10.592 1.00 0.00 O ATOM 816 CB ASN A 51 24.387 48.428 11.143 1.00 0.00 C ATOM 817 CG ASN A 51 23.900 49.577 12.032 1.00 0.00 C ATOM 818 OD1 ASN A 51 22.725 49.889 12.051 1.00 0.00 O ATOM 819 ND2 ASN A 51 24.758 50.221 12.774 1.00 0.00 N ATOM 0 H ASN A 51 25.076 45.323 12.087 1.00 0.00 H new ATOM 0 HA ASN A 51 23.922 47.187 12.827 1.00 0.00 H new ATOM 0 HB2 ASN A 51 25.474 48.452 11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.990 48.541 10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 51 24.443 50.986 13.370 1.00 0.00 H new ATOM 0 HD22 ASN A 51 25.744 49.959 12.758 1.00 0.00 H new ATOM 826 N HIS A 52 21.558 47.557 11.541 1.00 0.00 N ATOM 827 CA HIS A 52 20.172 47.257 11.084 1.00 0.00 C ATOM 828 C HIS A 52 19.771 45.872 11.597 1.00 0.00 C ATOM 829 O HIS A 52 18.963 45.187 11.005 1.00 0.00 O ATOM 830 CB HIS A 52 20.110 47.275 9.549 1.00 0.00 C ATOM 831 CG HIS A 52 21.240 48.099 8.994 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.218 47.555 8.176 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.552 49.431 9.115 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.062 48.547 7.837 1.00 0.00 C ATOM 835 NE2 HIS A 52 22.702 49.712 8.383 1.00 0.00 N ATOM 0 H HIS A 52 21.663 48.416 12.081 1.00 0.00 H new ATOM 0 HA HIS A 52 19.488 48.011 11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.169 46.257 9.163 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.155 47.686 9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 52 20.990 50.151 9.691 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.925 48.417 7.201 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.169 50.613 8.285 1.00 0.00 H new ATOM 843 N THR A 53 20.343 45.452 12.689 1.00 18.27 N ATOM 844 CA THR A 53 20.016 44.107 13.243 1.00 16.01 C ATOM 845 C THR A 53 18.504 43.857 13.183 1.00 16.57 C ATOM 846 O THR A 53 18.044 42.923 12.559 1.00 18.87 O ATOM 847 CB THR A 53 20.483 44.038 14.703 1.00 15.02 C ATOM 848 OG1 THR A 53 21.566 44.938 14.892 1.00 13.32 O ATOM 849 CG2 THR A 53 20.935 42.616 15.038 1.00 9.59 C ATOM 0 H THR A 53 21.027 45.985 13.226 1.00 18.27 H new ATOM 0 HA THR A 53 20.523 43.346 12.650 1.00 16.01 H new ATOM 0 HB THR A 53 19.658 44.313 15.360 1.00 15.02 H new ATOM 0 HG1 THR A 53 21.866 44.898 15.824 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.265 42.574 16.076 1.00 9.59 H new ATOM 0 HG22 THR A 53 20.103 41.926 14.894 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.759 42.332 14.383 1.00 9.59 H new ATOM 857 N ASN A 54 17.733 44.674 13.846 1.00 13.94 N ATOM 858 CA ASN A 54 16.254 44.475 13.852 1.00 18.93 C ATOM 859 C ASN A 54 15.693 44.484 12.428 1.00 16.34 C ATOM 860 O ASN A 54 14.693 43.853 12.151 1.00 15.61 O ATOM 861 CB ASN A 54 15.596 45.592 14.663 1.00 24.12 C ATOM 862 CG ASN A 54 16.125 45.564 16.098 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.218 44.514 16.703 1.00 45.21 O ATOM 864 ND2 ASN A 54 16.480 46.681 16.671 1.00 37.58 N ATOM 0 H ASN A 54 18.064 45.474 14.386 1.00 13.94 H new ATOM 0 HA ASN A 54 16.038 43.506 14.302 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.806 46.559 14.206 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.513 45.467 14.661 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.836 46.673 17.627 1.00 37.58 H new ATOM 0 HD22 ASN A 54 16.402 47.562 16.163 1.00 37.58 H new ATOM 871 N GLU A 55 16.308 45.191 11.520 1.00 16.09 N ATOM 872 CA GLU A 55 15.768 45.220 10.130 1.00 15.04 C ATOM 873 C GLU A 55 15.844 43.819 9.516 1.00 15.56 C ATOM 874 O GLU A 55 14.913 43.362 8.885 1.00 18.95 O ATOM 875 CB GLU A 55 16.573 46.198 9.276 1.00 18.55 C ATOM 876 CG GLU A 55 16.237 47.630 9.694 1.00 23.55 C ATOM 877 CD GLU A 55 14.821 47.980 9.232 1.00 30.41 C ATOM 878 OE1 GLU A 55 13.896 47.744 9.991 1.00 33.02 O ATOM 879 OE2 GLU A 55 14.687 48.481 8.128 1.00 31.49 O ATOM 0 H GLU A 55 17.151 45.744 11.676 1.00 16.09 H new ATOM 0 HA GLU A 55 14.728 45.546 10.161 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.640 46.012 9.398 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.343 46.052 8.221 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.313 47.731 10.777 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.955 48.325 9.258 1.00 23.55 H new ATOM 886 N ILE A 56 16.940 43.129 9.691 1.00 9.56 N ATOM 887 CA ILE A 56 17.048 41.760 9.109 1.00 8.91 C ATOM 888 C ILE A 56 16.047 40.833 9.800 1.00 7.70 C ATOM 889 O ILE A 56 15.243 40.191 9.156 1.00 9.84 O ATOM 890 CB ILE A 56 18.470 41.221 9.295 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.415 41.924 8.307 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.485 39.711 9.028 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.978 43.195 8.946 1.00 8.03 C ATOM 0 H ILE A 56 17.759 43.451 10.207 1.00 9.56 H new ATOM 0 HA ILE A 56 16.825 41.804 8.043 1.00 8.91 H new ATOM 0 HB ILE A 56 18.800 41.412 10.316 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.229 41.254 8.028 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.879 42.173 7.391 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.497 39.328 9.160 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.814 39.211 9.726 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.155 39.519 8.007 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.647 43.690 8.242 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.159 43.867 9.202 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.529 42.935 9.849 1.00 8.03 H new ATOM 905 N GLN A 57 16.076 40.760 11.104 1.00 7.49 N ATOM 906 CA GLN A 57 15.110 39.870 11.807 1.00 6.88 C ATOM 907 C GLN A 57 13.708 40.300 11.411 1.00 9.50 C ATOM 908 O GLN A 57 12.852 39.490 11.115 1.00 11.03 O ATOM 909 CB GLN A 57 15.263 40.026 13.318 1.00 11.02 C ATOM 910 CG GLN A 57 16.737 40.245 13.662 1.00 12.13 C ATOM 911 CD GLN A 57 17.050 39.604 15.016 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.206 38.403 15.110 1.00 17.49 O ATOM 913 NE2 GLN A 57 17.150 40.360 16.075 1.00 17.84 N ATOM 0 H GLN A 57 16.720 41.273 11.707 1.00 7.49 H new ATOM 0 HA GLN A 57 15.294 38.831 11.535 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.668 40.869 13.669 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.888 39.137 13.826 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.370 39.811 12.888 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.959 41.312 13.694 1.00 12.13 H new ATOM 0 HE21 GLN A 57 17.019 41.368 15.996 1.00 17.84 H new ATOM 0 HE22 GLN A 57 17.359 39.942 16.982 1.00 17.84 H new ATOM 922 N ASP A 58 13.478 41.581 11.382 1.00 13.48 N ATOM 923 CA ASP A 58 12.142 42.077 10.981 1.00 13.94 C ATOM 924 C ASP A 58 11.827 41.480 9.616 1.00 13.32 C ATOM 925 O ASP A 58 10.700 41.146 9.310 1.00 14.28 O ATOM 926 CB ASP A 58 12.175 43.604 10.884 1.00 12.80 C ATOM 927 CG ASP A 58 12.036 44.211 12.281 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.214 43.723 13.039 1.00 18.84 O ATOM 929 OD2 ASP A 58 12.754 45.155 12.569 1.00 15.13 O ATOM 0 H ASP A 58 14.159 42.303 11.619 1.00 13.48 H new ATOM 0 HA ASP A 58 11.384 41.791 11.710 1.00 13.94 H new ATOM 0 HB2 ASP A 58 13.110 43.929 10.427 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.367 43.955 10.242 1.00 12.80 H new ATOM 934 N TYR A 59 12.833 41.325 8.800 1.00 12.69 N ATOM 935 CA TYR A 59 12.612 40.726 7.457 1.00 10.10 C ATOM 936 C TYR A 59 12.499 39.206 7.595 1.00 7.75 C ATOM 937 O TYR A 59 11.600 38.592 7.054 1.00 5.81 O ATOM 938 CB TYR A 59 13.777 41.070 6.531 1.00 12.40 C ATOM 939 CG TYR A 59 13.453 40.587 5.137 1.00 12.76 C ATOM 940 CD1 TYR A 59 13.801 39.289 4.752 1.00 6.81 C ATOM 941 CD2 TYR A 59 12.803 41.436 4.233 1.00 11.52 C ATOM 942 CE1 TYR A 59 13.500 38.837 3.461 1.00 10.94 C ATOM 943 CE2 TYR A 59 12.502 40.985 2.942 1.00 8.47 C ATOM 944 CZ TYR A 59 12.851 39.685 2.557 1.00 9.37 C ATOM 945 OH TYR A 59 12.556 39.241 1.284 1.00 12.99 O ATOM 0 H TYR A 59 13.797 41.587 9.006 1.00 12.69 H new ATOM 0 HA TYR A 59 11.692 41.127 7.032 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.950 42.146 6.526 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.694 40.602 6.889 1.00 12.40 H new ATOM 0 HD1 TYR A 59 14.302 38.635 5.450 1.00 6.81 H new ATOM 0 HD2 TYR A 59 12.534 42.438 4.531 1.00 11.52 H new ATOM 0 HE1 TYR A 59 13.769 37.834 3.163 1.00 10.94 H new ATOM 0 HE2 TYR A 59 12.001 41.639 2.244 1.00 8.47 H new ATOM 0 HH TYR A 59 12.105 39.954 0.785 1.00 12.99 H new ATOM 955 N LEU A 60 13.399 38.590 8.320 1.00 10.71 N ATOM 956 CA LEU A 60 13.323 37.111 8.486 1.00 11.04 C ATOM 957 C LEU A 60 11.931 36.760 8.996 1.00 10.32 C ATOM 958 O LEU A 60 11.376 35.729 8.675 1.00 14.61 O ATOM 959 CB LEU A 60 14.375 36.636 9.496 1.00 7.24 C ATOM 960 CG LEU A 60 15.780 36.993 8.997 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.816 36.524 10.021 1.00 9.54 C ATOM 962 CD2 LEU A 60 16.045 36.305 7.653 1.00 7.23 C ATOM 0 H LEU A 60 14.176 39.045 8.799 1.00 10.71 H new ATOM 0 HA LEU A 60 13.514 36.621 7.531 1.00 11.04 H new ATOM 0 HB2 LEU A 60 14.196 37.100 10.466 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.294 35.558 9.639 1.00 7.24 H new ATOM 0 HG LEU A 60 15.853 38.073 8.868 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.816 36.777 9.669 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.633 37.017 10.976 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.738 35.444 10.149 1.00 9.54 H new ATOM 0 HD21 LEU A 60 17.045 36.562 7.303 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.971 35.225 7.776 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.308 36.638 6.922 1.00 7.23 H new ATOM 974 N GLN A 61 11.360 37.629 9.777 1.00 10.78 N ATOM 975 CA GLN A 61 9.996 37.380 10.304 1.00 11.72 C ATOM 976 C GLN A 61 9.029 37.228 9.125 1.00 14.05 C ATOM 977 O GLN A 61 8.335 36.241 9.001 1.00 14.24 O ATOM 978 CB GLN A 61 9.583 38.579 11.163 1.00 17.47 C ATOM 979 CG GLN A 61 8.182 38.362 11.740 1.00 25.06 C ATOM 980 CD GLN A 61 8.282 37.613 13.069 1.00 31.26 C ATOM 981 OE1 GLN A 61 9.339 36.892 13.317 1.00 40.45 O flip ATOM 982 NE2 GLN A 61 7.389 37.684 13.890 1.00 30.05 N flip ATOM 0 H GLN A 61 11.784 38.508 10.075 1.00 10.78 H new ATOM 0 HA GLN A 61 9.976 36.471 10.906 1.00 11.72 H new ATOM 0 HB2 GLN A 61 10.299 38.719 11.973 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.599 39.488 10.562 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.687 39.322 11.889 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.573 37.795 11.037 1.00 25.06 H new ATOM 0 HE21 GLN A 61 6.562 38.248 13.696 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.467 37.179 14.773 1.00 30.05 H new ATOM 991 N GLN A 62 8.978 38.203 8.259 1.00 15.71 N ATOM 992 CA GLN A 62 8.053 38.119 7.092 1.00 18.54 C ATOM 993 C GLN A 62 8.508 37.010 6.138 1.00 19.36 C ATOM 994 O GLN A 62 7.701 36.339 5.526 1.00 19.52 O ATOM 995 CB GLN A 62 8.052 39.457 6.348 1.00 25.59 C ATOM 996 CG GLN A 62 6.952 39.451 5.284 1.00 34.08 C ATOM 997 CD GLN A 62 6.922 40.805 4.573 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.664 41.821 5.187 1.00 41.81 O ATOM 999 NE2 GLN A 62 7.178 40.862 3.294 1.00 36.81 N ATOM 0 H GLN A 62 9.537 39.055 8.309 1.00 15.71 H new ATOM 0 HA GLN A 62 7.048 37.893 7.450 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.889 40.275 7.050 1.00 25.59 H new ATOM 0 HB3 GLN A 62 9.022 39.626 5.881 1.00 25.59 H new ATOM 0 HG2 GLN A 62 7.133 38.654 4.563 1.00 34.08 H new ATOM 0 HG3 GLN A 62 5.986 39.249 5.746 1.00 34.08 H new ATOM 0 HE21 GLN A 62 7.395 40.009 2.779 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.161 41.760 2.810 1.00 36.81 H new ATOM 1008 N LEU A 63 9.791 36.818 5.995 1.00 17.09 N ATOM 1009 CA LEU A 63 10.285 35.757 5.066 1.00 16.00 C ATOM 1010 C LEU A 63 9.861 34.380 5.576 1.00 11.34 C ATOM 1011 O LEU A 63 9.378 33.552 4.830 1.00 10.68 O ATOM 1012 CB LEU A 63 11.813 35.823 4.973 1.00 19.91 C ATOM 1013 CG LEU A 63 12.317 34.834 3.911 1.00 21.77 C ATOM 1014 CD1 LEU A 63 11.944 35.330 2.509 1.00 21.25 C ATOM 1015 CD2 LEU A 63 13.841 34.710 4.016 1.00 19.51 C ATOM 0 H LEU A 63 10.517 37.346 6.478 1.00 17.09 H new ATOM 0 HA LEU A 63 9.855 35.920 4.078 1.00 16.00 H new ATOM 0 HB2 LEU A 63 12.127 36.835 4.718 1.00 19.91 H new ATOM 0 HB3 LEU A 63 12.255 35.587 5.941 1.00 19.91 H new ATOM 0 HG LEU A 63 11.853 33.862 4.080 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.306 34.621 1.764 1.00 21.25 H new ATOM 0 HD12 LEU A 63 10.860 35.417 2.430 1.00 21.25 H new ATOM 0 HD13 LEU A 63 12.400 36.305 2.335 1.00 21.25 H new ATOM 0 HD21 LEU A 63 14.202 34.009 3.264 1.00 19.51 H new ATOM 0 HD22 LEU A 63 14.298 35.686 3.851 1.00 19.51 H new ATOM 0 HD23 LEU A 63 14.109 34.347 5.008 1.00 19.51 H new ATOM 1027 N THR A 64 10.046 34.130 6.841 1.00 10.04 N ATOM 1028 CA THR A 64 9.665 32.804 7.413 1.00 8.87 C ATOM 1029 C THR A 64 8.453 32.973 8.328 1.00 10.75 C ATOM 1030 O THR A 64 7.419 32.369 8.123 1.00 11.38 O ATOM 1031 CB THR A 64 10.837 32.247 8.227 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.755 32.731 9.560 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.158 32.698 7.602 1.00 6.96 C ATOM 0 H THR A 64 10.447 34.789 7.509 1.00 10.04 H new ATOM 0 HA THR A 64 9.419 32.116 6.604 1.00 8.87 H new ATOM 0 HB THR A 64 10.792 31.158 8.229 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.563 33.243 9.773 1.00 6.36 H new ATOM 0 HG21 THR A 64 12.990 32.300 8.183 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.221 32.329 6.578 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.206 33.787 7.598 1.00 6.96 H new ATOM 1041 N GLY A 65 8.572 33.791 9.337 1.00 10.19 N ATOM 1042 CA GLY A 65 7.426 34.000 10.269 1.00 13.28 C ATOM 1043 C GLY A 65 7.955 34.333 11.665 1.00 14.66 C ATOM 1044 O GLY A 65 7.565 35.310 12.270 1.00 14.79 O ATOM 0 H GLY A 65 9.413 34.324 9.557 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.792 34.809 9.907 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.807 33.103 10.308 1.00 13.28 H new ATOM 1048 N ALA A 66 8.833 33.519 12.184 1.00 12.02 N ATOM 1049 CA ALA A 66 9.388 33.774 13.546 1.00 9.85 C ATOM 1050 C ALA A 66 10.742 34.475 13.443 1.00 14.04 C ATOM 1051 O ALA A 66 11.573 34.135 12.624 1.00 17.81 O ATOM 1052 CB ALA A 66 9.559 32.444 14.283 1.00 13.74 C ATOM 0 H ALA A 66 9.192 32.684 11.722 1.00 12.02 H new ATOM 0 HA ALA A 66 8.698 34.415 14.095 1.00 9.85 H new ATOM 0 HB1 ALA A 66 9.964 32.629 15.278 1.00 13.74 H new ATOM 0 HB2 ALA A 66 8.591 31.950 14.371 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.243 31.804 13.726 1.00 13.74 H new ATOM 1058 N ARG A 67 10.973 35.445 14.284 1.00 15.81 N ATOM 1059 CA ARG A 67 12.267 36.172 14.264 1.00 16.07 C ATOM 1060 C ARG A 67 13.192 35.543 15.307 1.00 14.37 C ATOM 1061 O ARG A 67 14.006 36.206 15.922 1.00 14.43 O ATOM 1062 CB ARG A 67 12.011 37.640 14.611 1.00 15.97 C ATOM 1063 CG ARG A 67 11.171 37.738 15.897 1.00 17.12 C ATOM 1064 CD ARG A 67 11.969 38.467 16.979 1.00 22.31 C ATOM 1065 NE ARG A 67 12.141 39.894 16.590 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.500 40.772 17.484 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.711 40.398 18.715 1.00 29.76 N ATOM 1068 NH2 ARG A 67 12.650 42.024 17.147 1.00 21.50 N ATOM 0 H ARG A 67 10.311 35.766 14.991 1.00 15.81 H new ATOM 0 HA ARG A 67 12.731 36.110 13.279 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.959 38.161 14.745 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.491 38.131 13.789 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.241 38.271 15.696 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.899 36.741 16.242 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.451 38.399 17.936 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.942 37.994 17.109 1.00 22.31 H new ATOM 0 HE ARG A 67 11.978 40.184 15.626 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.595 39.419 18.978 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.992 41.084 19.415 1.00 29.76 H new ATOM 0 HH21 ARG A 67 12.486 42.316 16.183 1.00 21.50 H new ATOM 0 HH22 ARG A 67 12.931 42.710 17.847 1.00 21.50 H new ATOM 1082 N THR A 68 13.055 34.262 15.515 1.00 13.52 N ATOM 1083 CA THR A 68 13.897 33.558 16.523 1.00 14.97 C ATOM 1084 C THR A 68 15.281 33.253 15.937 1.00 12.85 C ATOM 1085 O THR A 68 15.493 33.323 14.744 1.00 10.80 O ATOM 1086 CB THR A 68 13.202 32.243 16.908 1.00 13.06 C ATOM 1087 OG1 THR A 68 11.966 32.151 16.216 1.00 18.26 O ATOM 1088 CG2 THR A 68 12.940 32.203 18.415 1.00 14.06 C ATOM 0 H THR A 68 12.388 33.667 15.024 1.00 13.52 H new ATOM 0 HA THR A 68 14.022 34.191 17.401 1.00 14.97 H new ATOM 0 HB THR A 68 13.847 31.407 16.638 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.518 31.313 16.456 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.447 31.266 18.674 1.00 14.06 H new ATOM 0 HG22 THR A 68 13.886 32.275 18.951 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.299 33.039 18.695 1.00 14.06 H new ATOM 1096 N VAL A 69 16.216 32.901 16.781 1.00 8.20 N ATOM 1097 CA VAL A 69 17.594 32.569 16.306 1.00 5.92 C ATOM 1098 C VAL A 69 17.870 31.097 16.639 1.00 5.25 C ATOM 1099 O VAL A 69 17.527 30.654 17.712 1.00 5.78 O ATOM 1100 CB VAL A 69 18.609 33.450 17.048 1.00 4.36 C ATOM 1101 CG1 VAL A 69 19.967 33.408 16.345 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.102 34.891 17.082 1.00 4.08 C ATOM 0 H VAL A 69 16.083 32.828 17.790 1.00 8.20 H new ATOM 0 HA VAL A 69 17.679 32.741 15.233 1.00 5.92 H new ATOM 0 HB VAL A 69 18.725 33.073 18.064 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.675 34.038 16.884 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.335 32.382 16.326 1.00 2.07 H new ATOM 0 HG13 VAL A 69 19.860 33.774 15.324 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.822 35.518 17.609 1.00 4.08 H new ATOM 0 HG22 VAL A 69 17.979 35.258 16.063 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.143 34.927 17.599 1.00 4.08 H new ATOM 1112 N PRO A 70 18.483 30.370 15.737 1.00 5.33 N ATOM 1113 CA PRO A 70 18.927 30.863 14.414 1.00 6.04 C ATOM 1114 C PRO A 70 17.770 30.896 13.415 1.00 7.79 C ATOM 1115 O PRO A 70 16.617 30.722 13.753 1.00 7.15 O ATOM 1116 CB PRO A 70 19.943 29.808 13.954 1.00 3.22 C ATOM 1117 CG PRO A 70 19.712 28.546 14.821 1.00 6.88 C ATOM 1118 CD PRO A 70 18.808 28.957 15.993 1.00 6.17 C ATOM 0 HA PRO A 70 19.327 31.875 14.474 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.809 29.579 12.897 1.00 3.22 H new ATOM 0 HB3 PRO A 70 20.962 30.176 14.074 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.244 27.756 14.233 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.660 28.152 15.187 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.907 28.344 16.032 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.318 28.835 16.948 1.00 6.17 H new ATOM 1126 N ARG A 71 18.109 31.083 12.174 1.00 6.15 N ATOM 1127 CA ARG A 71 17.104 31.093 11.082 1.00 7.10 C ATOM 1128 C ARG A 71 17.801 30.478 9.867 1.00 4.23 C ATOM 1129 O ARG A 71 18.477 31.151 9.114 1.00 6.47 O ATOM 1130 CB ARG A 71 16.662 32.535 10.789 1.00 10.23 C ATOM 1131 CG ARG A 71 15.177 32.557 10.365 1.00 15.67 C ATOM 1132 CD ARG A 71 14.280 32.946 11.556 1.00 20.29 C ATOM 1133 NE ARG A 71 13.680 31.723 12.191 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.027 30.835 11.487 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.820 31.024 10.213 1.00 22.60 N ATOM 1136 NH2 ARG A 71 12.554 29.767 12.071 1.00 23.53 N ATOM 0 H ARG A 71 19.069 31.234 11.863 1.00 6.15 H new ATOM 0 HA ARG A 71 16.208 30.531 11.346 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.805 33.155 11.674 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.281 32.960 9.999 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.036 33.266 9.550 1.00 15.67 H new ATOM 0 HG3 ARG A 71 14.886 31.576 9.988 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.865 33.495 12.294 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.487 33.613 11.218 1.00 20.29 H new ATOM 0 HE ARG A 71 13.785 31.582 13.196 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.168 31.869 9.760 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.310 30.327 9.670 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.695 29.628 13.072 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.044 29.071 11.526 1.00 23.53 H new ATOM 1150 N VAL A 72 17.692 29.187 9.717 1.00 4.55 N ATOM 1151 CA VAL A 72 18.403 28.493 8.605 1.00 6.53 C ATOM 1152 C VAL A 72 17.613 28.570 7.299 1.00 8.68 C ATOM 1153 O VAL A 72 16.408 28.733 7.289 1.00 6.48 O ATOM 1154 CB VAL A 72 18.593 27.028 8.992 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.305 26.300 7.855 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.433 26.941 10.275 1.00 3.35 C ATOM 0 H VAL A 72 17.138 28.579 10.320 1.00 4.55 H new ATOM 0 HA VAL A 72 19.363 28.983 8.445 1.00 6.53 H new ATOM 0 HB VAL A 72 17.623 26.564 9.170 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.444 25.253 8.124 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.703 26.365 6.948 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.277 26.762 7.679 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.568 25.895 10.551 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.407 27.400 10.104 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.921 27.466 11.082 1.00 3.35 H new ATOM 1166 N PHE A 73 18.305 28.457 6.190 1.00 5.39 N ATOM 1167 CA PHE A 73 17.628 28.529 4.866 1.00 6.90 C ATOM 1168 C PHE A 73 18.286 27.575 3.862 1.00 7.16 C ATOM 1169 O PHE A 73 19.164 27.971 3.121 1.00 14.07 O ATOM 1170 CB PHE A 73 17.759 29.949 4.313 1.00 6.44 C ATOM 1171 CG PHE A 73 16.875 30.895 5.084 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.374 31.558 6.211 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.561 31.122 4.662 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.557 32.448 6.916 1.00 6.98 C ATOM 1175 CE2 PHE A 73 14.744 32.010 5.368 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.242 32.674 6.495 1.00 7.54 C ATOM 0 H PHE A 73 19.315 28.317 6.150 1.00 5.39 H new ATOM 0 HA PHE A 73 16.583 28.251 5.003 1.00 6.90 H new ATOM 0 HB2 PHE A 73 18.797 30.277 4.377 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.485 29.962 3.258 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.389 31.383 6.536 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.178 30.611 3.791 1.00 12.42 H new ATOM 0 HE1 PHE A 73 16.941 32.961 7.785 1.00 6.98 H new ATOM 0 HE2 PHE A 73 13.729 32.184 5.044 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.611 33.361 7.040 1.00 7.54 H new ATOM 1186 N ILE A 74 17.855 26.344 3.780 1.00 5.91 N ATOM 1187 CA ILE A 74 18.464 25.443 2.760 1.00 7.08 C ATOM 1188 C ILE A 74 17.951 25.927 1.409 1.00 8.52 C ATOM 1189 O ILE A 74 16.775 25.832 1.118 1.00 6.64 O ATOM 1190 CB ILE A 74 18.035 23.987 2.985 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.811 23.392 4.164 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.340 23.171 1.726 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.725 24.332 5.363 1.00 9.34 C ATOM 0 H ILE A 74 17.125 25.931 4.360 1.00 5.91 H new ATOM 0 HA ILE A 74 19.552 25.472 2.819 1.00 7.08 H new ATOM 0 HB ILE A 74 16.967 23.957 3.201 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.403 22.416 4.425 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.853 23.237 3.885 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.037 22.136 1.881 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.791 23.587 0.881 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.409 23.209 1.518 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.278 23.906 6.200 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.154 25.299 5.099 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.681 24.464 5.648 1.00 9.34 H new ATOM 1205 N GLY A 75 18.795 26.494 0.598 1.00 9.27 N ATOM 1206 CA GLY A 75 18.297 27.031 -0.693 1.00 9.68 C ATOM 1207 C GLY A 75 17.377 28.204 -0.356 1.00 12.42 C ATOM 1208 O GLY A 75 17.521 28.825 0.679 1.00 11.15 O ATOM 0 H GLY A 75 19.794 26.608 0.770 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.126 27.357 -1.322 1.00 9.68 H new ATOM 0 HA3 GLY A 75 17.758 26.264 -1.249 1.00 9.68 H new ATOM 1212 N LYS A 76 16.427 28.517 -1.189 1.00 14.40 N ATOM 1213 CA LYS A 76 15.514 29.649 -0.858 1.00 16.68 C ATOM 1214 C LYS A 76 14.386 29.145 0.052 1.00 16.27 C ATOM 1215 O LYS A 76 13.557 29.907 0.508 1.00 14.00 O ATOM 1216 CB LYS A 76 14.922 30.231 -2.145 1.00 23.46 C ATOM 1217 CG LYS A 76 16.043 30.859 -2.985 1.00 30.10 C ATOM 1218 CD LYS A 76 15.463 31.926 -3.924 1.00 38.66 C ATOM 1219 CE LYS A 76 15.352 33.268 -3.188 1.00 42.17 C ATOM 1220 NZ LYS A 76 16.648 33.999 -3.285 1.00 44.86 N ATOM 0 H LYS A 76 16.242 28.046 -2.075 1.00 14.40 H new ATOM 0 HA LYS A 76 16.075 30.428 -0.341 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.421 29.448 -2.714 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.169 30.981 -1.905 1.00 23.46 H new ATOM 0 HG2 LYS A 76 16.791 31.307 -2.331 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.548 30.088 -3.566 1.00 30.10 H new ATOM 0 HD2 LYS A 76 16.100 32.035 -4.802 1.00 38.66 H new ATOM 0 HD3 LYS A 76 14.481 31.614 -4.279 1.00 38.66 H new ATOM 0 HE2 LYS A 76 14.551 33.867 -3.622 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.094 33.101 -2.142 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 16.510 34.990 -3.002 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 17.346 33.553 -2.656 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 16.994 33.964 -4.265 1.00 44.86 H new ATOM 1234 N ASP A 77 14.350 27.865 0.320 1.00 0.00 N ATOM 1235 CA ASP A 77 13.277 27.309 1.200 1.00 0.00 C ATOM 1236 C ASP A 77 13.726 27.327 2.665 1.00 0.00 C ATOM 1237 O ASP A 77 14.688 26.684 3.037 1.00 0.00 O ATOM 1238 CB ASP A 77 12.978 25.867 0.787 1.00 0.00 C ATOM 1239 CG ASP A 77 12.240 25.859 -0.553 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.809 26.331 -1.523 1.00 0.00 O ATOM 1241 OD2 ASP A 77 11.119 25.379 -0.587 1.00 0.00 O ATOM 0 H ASP A 77 15.018 27.180 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 77 12.382 27.923 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.906 25.302 0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.373 25.378 1.550 1.00 0.00 H new ATOM 1246 N SER A 78 13.030 28.046 3.506 1.00 0.00 N ATOM 1247 CA SER A 78 13.410 28.086 4.948 1.00 0.00 C ATOM 1248 C SER A 78 13.048 26.752 5.607 1.00 0.00 C ATOM 1249 O SER A 78 12.127 26.079 5.190 1.00 0.00 O ATOM 1250 CB SER A 78 12.651 29.214 5.647 1.00 0.00 C ATOM 1251 OG SER A 78 13.198 29.413 6.945 1.00 0.00 O ATOM 0 H SER A 78 12.215 28.607 3.256 1.00 0.00 H new ATOM 0 HA SER A 78 14.483 28.260 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.723 30.132 5.064 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.592 28.965 5.720 1.00 0.00 H new ATOM 0 HG SER A 78 13.799 30.187 6.932 1.00 0.00 H new ATOM 1257 N ILE A 79 13.754 26.368 6.644 1.00 14.84 N ATOM 1258 CA ILE A 79 13.428 25.081 7.333 1.00 16.24 C ATOM 1259 C ILE A 79 12.923 25.377 8.747 1.00 13.64 C ATOM 1260 O ILE A 79 12.218 24.584 9.340 1.00 15.36 O ATOM 1261 CB ILE A 79 14.672 24.188 7.416 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.832 24.948 8.087 1.00 18.59 C ATOM 1263 CG2 ILE A 79 15.085 23.755 6.007 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.629 23.992 8.986 1.00 20.45 C ATOM 0 H ILE A 79 14.537 26.887 7.040 1.00 14.84 H new ATOM 0 HA ILE A 79 12.658 24.562 6.763 1.00 16.24 H new ATOM 0 HB ILE A 79 14.437 23.308 8.014 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.485 25.377 7.327 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.442 25.777 8.678 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.969 23.120 6.066 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.270 23.199 5.543 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.311 24.637 5.407 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.448 24.534 9.458 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.973 23.584 9.755 1.00 20.45 H new ATOM 0 HD13 ILE A 79 17.032 23.178 8.384 1.00 20.45 H new ATOM 1276 N GLY A 80 13.267 26.517 9.289 1.00 12.42 N ATOM 1277 CA GLY A 80 12.794 26.867 10.662 1.00 13.73 C ATOM 1278 C GLY A 80 13.963 27.380 11.507 1.00 12.94 C ATOM 1279 O GLY A 80 14.947 27.874 10.992 1.00 13.82 O ATOM 0 H GLY A 80 13.854 27.220 8.841 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.016 27.628 10.604 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.349 25.992 11.136 1.00 13.73 H new ATOM 1283 N GLY A 81 13.855 27.273 12.806 1.00 12.24 N ATOM 1284 CA GLY A 81 14.948 27.760 13.698 1.00 10.24 C ATOM 1285 C GLY A 81 15.859 26.600 14.098 1.00 11.98 C ATOM 1286 O GLY A 81 16.080 25.677 13.340 1.00 12.42 O ATOM 0 H GLY A 81 13.053 26.867 13.289 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.528 28.529 13.188 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.522 28.221 14.589 1.00 10.24 H new ATOM 1290 N SER A 82 16.398 26.652 15.285 1.00 0.00 N ATOM 1291 CA SER A 82 17.308 25.567 15.744 1.00 0.00 C ATOM 1292 C SER A 82 16.508 24.291 15.997 1.00 0.00 C ATOM 1293 O SER A 82 16.741 23.267 15.387 1.00 0.00 O ATOM 1294 CB SER A 82 17.999 26.000 17.037 1.00 0.00 C ATOM 1295 OG SER A 82 18.227 24.861 17.856 1.00 0.00 O ATOM 0 H SER A 82 16.246 27.403 15.959 1.00 0.00 H new ATOM 0 HA SER A 82 18.055 25.374 14.975 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.944 26.493 16.809 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.381 26.725 17.567 1.00 0.00 H new ATOM 0 HG SER A 82 18.671 25.138 18.685 1.00 0.00 H new ATOM 1301 N SER A 83 15.567 24.344 16.894 1.00 0.00 N ATOM 1302 CA SER A 83 14.751 23.132 17.193 1.00 0.00 C ATOM 1303 C SER A 83 14.181 22.574 15.891 1.00 0.00 C ATOM 1304 O SER A 83 13.899 21.398 15.775 1.00 0.00 O ATOM 1305 CB SER A 83 13.607 23.507 18.137 1.00 0.00 C ATOM 1306 OG SER A 83 12.609 22.494 18.091 1.00 0.00 O ATOM 0 H SER A 83 15.325 25.174 17.435 1.00 0.00 H new ATOM 0 HA SER A 83 15.377 22.377 17.669 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.982 23.619 19.155 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.181 24.467 17.847 1.00 0.00 H new ATOM 0 HG SER A 83 11.875 22.730 18.696 1.00 0.00 H new ATOM 1312 N ASP A 84 14.018 23.410 14.909 1.00 12.98 N ATOM 1313 CA ASP A 84 13.475 22.934 13.608 1.00 14.53 C ATOM 1314 C ASP A 84 14.555 22.140 12.868 1.00 11.28 C ATOM 1315 O ASP A 84 14.321 21.049 12.388 1.00 12.09 O ATOM 1316 CB ASP A 84 13.061 24.138 12.762 1.00 17.72 C ATOM 1317 CG ASP A 84 11.851 24.822 13.403 1.00 19.35 C ATOM 1318 OD1 ASP A 84 10.743 24.375 13.156 1.00 21.94 O ATOM 1319 OD2 ASP A 84 12.053 25.781 14.130 1.00 27.06 O ATOM 0 H ASP A 84 14.237 24.405 14.950 1.00 12.98 H new ATOM 0 HA ASP A 84 12.609 22.296 13.784 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.890 24.842 12.682 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.816 23.817 11.749 1.00 17.72 H new ATOM 1324 N LEU A 85 15.734 22.689 12.771 1.00 11.34 N ATOM 1325 CA LEU A 85 16.840 21.983 12.060 1.00 11.04 C ATOM 1326 C LEU A 85 17.042 20.587 12.654 1.00 12.09 C ATOM 1327 O LEU A 85 16.954 19.588 11.967 1.00 11.43 O ATOM 1328 CB LEU A 85 18.138 22.783 12.219 1.00 9.45 C ATOM 1329 CG LEU A 85 19.151 22.353 11.147 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.385 23.262 11.205 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.580 20.899 11.388 1.00 15.31 C ATOM 0 H LEU A 85 15.981 23.601 13.155 1.00 11.34 H new ATOM 0 HA LEU A 85 16.581 21.893 11.005 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.931 23.850 12.130 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.556 22.621 13.213 1.00 9.45 H new ATOM 0 HG LEU A 85 18.684 22.435 10.166 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.101 22.953 10.443 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.085 24.294 11.024 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.847 23.185 12.189 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.298 20.600 10.624 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.040 20.814 12.372 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.706 20.249 11.338 1.00 15.31 H new ATOM 1343 N VAL A 86 17.337 20.513 13.921 1.00 0.00 N ATOM 1344 CA VAL A 86 17.579 19.184 14.554 1.00 0.00 C ATOM 1345 C VAL A 86 16.436 18.223 14.214 1.00 0.00 C ATOM 1346 O VAL A 86 16.666 17.087 13.859 1.00 0.00 O ATOM 1347 CB VAL A 86 17.693 19.339 16.081 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.170 19.328 16.490 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.058 20.661 16.524 1.00 0.00 C ATOM 0 H VAL A 86 17.421 21.314 14.547 1.00 0.00 H new ATOM 0 HA VAL A 86 18.513 18.777 14.167 1.00 0.00 H new ATOM 0 HB VAL A 86 17.171 18.510 16.560 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.249 19.438 17.572 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.624 18.385 16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.689 20.154 16.003 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.144 20.761 17.606 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.572 21.492 16.041 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.005 20.672 16.241 1.00 0.00 H new ATOM 1359 N SER A 87 15.212 18.654 14.313 1.00 14.12 N ATOM 1360 CA SER A 87 14.086 17.732 13.987 1.00 14.37 C ATOM 1361 C SER A 87 14.310 17.122 12.599 1.00 13.29 C ATOM 1362 O SER A 87 14.179 15.930 12.404 1.00 11.18 O ATOM 1363 CB SER A 87 12.765 18.508 13.991 1.00 13.30 C ATOM 1364 OG SER A 87 12.325 18.684 15.331 1.00 21.79 O ATOM 0 H SER A 87 14.941 19.594 14.602 1.00 14.12 H new ATOM 0 HA SER A 87 14.044 16.939 14.734 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.898 19.477 13.510 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.012 17.968 13.417 1.00 13.30 H new ATOM 0 HG SER A 87 12.710 19.508 15.696 1.00 21.79 H new ATOM 1370 N LEU A 88 14.637 17.934 11.632 1.00 0.00 N ATOM 1371 CA LEU A 88 14.859 17.414 10.251 1.00 0.00 C ATOM 1372 C LEU A 88 16.131 16.565 10.185 1.00 0.00 C ATOM 1373 O LEU A 88 16.198 15.589 9.465 1.00 0.00 O ATOM 1374 CB LEU A 88 15.002 18.595 9.291 1.00 0.00 C ATOM 1375 CG LEU A 88 13.792 19.521 9.429 1.00 0.00 C ATOM 1376 CD1 LEU A 88 14.023 20.786 8.601 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.534 18.803 8.928 1.00 0.00 C ATOM 0 H LEU A 88 14.761 18.941 11.738 1.00 0.00 H new ATOM 0 HA LEU A 88 14.008 16.793 9.972 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.919 19.144 9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.081 18.235 8.265 1.00 0.00 H new ATOM 0 HG LEU A 88 13.660 19.791 10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.162 21.447 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.916 21.298 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.157 20.516 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.674 19.465 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.663 18.531 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.369 17.902 9.519 1.00 0.00 H new ATOM 1389 N GLN A 89 17.147 16.937 10.908 1.00 0.00 N ATOM 1390 CA GLN A 89 18.419 16.165 10.861 1.00 0.00 C ATOM 1391 C GLN A 89 18.188 14.725 11.320 1.00 0.00 C ATOM 1392 O GLN A 89 18.445 13.785 10.595 1.00 0.00 O ATOM 1393 CB GLN A 89 19.437 16.830 11.784 1.00 0.00 C ATOM 1394 CG GLN A 89 20.815 16.214 11.550 1.00 0.00 C ATOM 1395 CD GLN A 89 21.343 16.641 10.179 1.00 0.00 C ATOM 1396 OE1 GLN A 89 22.003 17.654 10.058 1.00 0.00 O ATOM 1397 NE2 GLN A 89 21.078 15.905 9.134 1.00 0.00 N ATOM 0 H GLN A 89 17.153 17.744 11.531 1.00 0.00 H new ATOM 0 HA GLN A 89 18.790 16.151 9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.469 17.903 11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.140 16.699 12.825 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.504 16.533 12.332 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.752 15.127 11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.524 15.055 9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.425 16.180 8.215 1.00 0.00 H new ATOM 1406 N GLN A 90 17.721 14.543 12.520 1.00 0.00 N ATOM 1407 CA GLN A 90 17.492 13.160 13.023 1.00 0.00 C ATOM 1408 C GLN A 90 16.439 12.473 12.158 1.00 0.00 C ATOM 1409 O GLN A 90 16.379 11.262 12.073 1.00 0.00 O ATOM 1410 CB GLN A 90 17.025 13.187 14.489 1.00 0.00 C ATOM 1411 CG GLN A 90 16.690 14.617 14.914 1.00 0.00 C ATOM 1412 CD GLN A 90 16.246 14.625 16.377 1.00 0.00 C ATOM 1413 OE1 GLN A 90 15.200 14.104 16.712 1.00 0.00 O ATOM 1414 NE2 GLN A 90 17.005 15.200 17.269 1.00 0.00 N ATOM 0 H GLN A 90 17.488 15.289 13.175 1.00 0.00 H new ATOM 0 HA GLN A 90 18.429 12.606 12.969 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.149 12.550 14.610 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.805 12.782 15.134 1.00 0.00 H new ATOM 0 HG2 GLN A 90 17.561 15.260 14.784 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.899 15.020 14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 90 17.882 15.637 16.987 1.00 0.00 H new ATOM 0 HE22 GLN A 90 16.721 15.213 18.249 1.00 0.00 H new ATOM 1423 N SER A 91 15.605 13.240 11.521 1.00 0.00 N ATOM 1424 CA SER A 91 14.548 12.638 10.660 1.00 0.00 C ATOM 1425 C SER A 91 15.130 12.296 9.287 1.00 0.00 C ATOM 1426 O SER A 91 14.557 11.536 8.532 1.00 0.00 O ATOM 1427 CB SER A 91 13.401 13.632 10.492 1.00 0.00 C ATOM 1428 OG SER A 91 12.868 13.955 11.770 1.00 0.00 O ATOM 0 H SER A 91 15.607 14.259 11.557 1.00 0.00 H new ATOM 0 HA SER A 91 14.177 11.727 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.757 14.535 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.624 13.204 9.859 1.00 0.00 H new ATOM 0 HG SER A 91 13.132 14.867 12.014 1.00 0.00 H new ATOM 1434 N GLY A 92 16.266 12.847 8.958 1.00 19.34 N ATOM 1435 CA GLY A 92 16.886 12.548 7.635 1.00 19.37 C ATOM 1436 C GLY A 92 16.254 13.427 6.556 1.00 22.29 C ATOM 1437 O GLY A 92 16.726 13.488 5.439 1.00 25.64 O ATOM 0 H GLY A 92 16.792 13.492 9.548 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.961 12.726 7.678 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.747 11.496 7.387 1.00 19.37 H new ATOM 1441 N GLU A 93 15.194 14.114 6.880 1.00 22.54 N ATOM 1442 CA GLU A 93 14.543 14.990 5.869 1.00 24.53 C ATOM 1443 C GLU A 93 15.482 16.152 5.546 1.00 23.48 C ATOM 1444 O GLU A 93 15.460 16.708 4.466 1.00 22.85 O ATOM 1445 CB GLU A 93 13.230 15.540 6.430 1.00 27.50 C ATOM 1446 CG GLU A 93 12.640 16.539 5.435 1.00 36.43 C ATOM 1447 CD GLU A 93 11.183 16.831 5.799 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.658 16.144 6.659 1.00 42.86 O ATOM 1449 OE2 GLU A 93 10.617 17.738 5.211 1.00 50.26 O ATOM 0 H GLU A 93 14.752 14.106 7.799 1.00 22.54 H new ATOM 0 HA GLU A 93 14.333 14.416 4.966 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.527 14.726 6.607 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.405 16.025 7.390 1.00 27.50 H new ATOM 0 HG2 GLU A 93 13.219 17.462 5.445 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.699 16.137 4.424 1.00 36.43 H new ATOM 1456 N LEU A 94 16.305 16.525 6.484 1.00 24.17 N ATOM 1457 CA LEU A 94 17.253 17.652 6.251 1.00 22.19 C ATOM 1458 C LEU A 94 18.162 17.335 5.073 1.00 22.62 C ATOM 1459 O LEU A 94 18.128 17.989 4.050 1.00 21.76 O ATOM 1460 CB LEU A 94 18.116 17.843 7.492 1.00 23.15 C ATOM 1461 CG LEU A 94 18.977 19.105 7.345 1.00 23.80 C ATOM 1462 CD1 LEU A 94 18.094 20.361 7.379 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.992 19.153 8.492 1.00 21.18 C ATOM 0 H LEU A 94 16.363 16.096 7.408 1.00 24.17 H new ATOM 0 HA LEU A 94 16.683 18.557 6.039 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.483 17.926 8.376 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.755 16.972 7.638 1.00 23.15 H new ATOM 0 HG LEU A 94 19.500 19.075 6.389 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.719 21.248 7.274 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.376 20.323 6.560 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.559 20.404 8.328 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.608 20.047 8.395 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.463 19.178 9.445 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.627 18.268 8.453 1.00 21.18 H new ATOM 1475 N LEU A 95 18.990 16.342 5.221 1.00 0.00 N ATOM 1476 CA LEU A 95 19.924 15.990 4.122 1.00 0.00 C ATOM 1477 C LEU A 95 19.122 15.794 2.845 1.00 0.00 C ATOM 1478 O LEU A 95 19.591 16.043 1.753 1.00 0.00 O ATOM 1479 CB LEU A 95 20.673 14.701 4.495 1.00 0.00 C ATOM 1480 CG LEU A 95 19.917 13.460 3.988 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.233 13.213 2.501 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.347 12.240 4.808 1.00 0.00 C ATOM 0 H LEU A 95 19.060 15.760 6.055 1.00 0.00 H new ATOM 0 HA LEU A 95 20.653 16.786 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.675 14.721 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.790 14.644 5.577 1.00 0.00 H new ATOM 0 HG LEU A 95 18.845 13.625 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.692 12.332 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.927 14.080 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.304 13.052 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.815 11.357 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.420 12.086 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 95 20.113 12.407 5.859 1.00 0.00 H new ATOM 1494 N THR A 96 17.911 15.358 2.981 1.00 15.75 N ATOM 1495 CA THR A 96 17.064 15.154 1.778 1.00 17.89 C ATOM 1496 C THR A 96 16.859 16.505 1.096 1.00 14.96 C ATOM 1497 O THR A 96 16.975 16.624 -0.105 1.00 17.84 O ATOM 1498 CB THR A 96 15.715 14.549 2.188 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.822 13.133 2.198 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.622 14.970 1.199 1.00 28.03 C ATOM 0 H THR A 96 17.467 15.133 3.871 1.00 15.75 H new ATOM 0 HA THR A 96 17.550 14.466 1.087 1.00 17.89 H new ATOM 0 HB THR A 96 15.450 14.909 3.182 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.963 12.742 2.461 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.670 14.534 1.502 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.537 16.057 1.191 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.881 14.619 0.200 1.00 28.03 H new ATOM 1508 N ARG A 97 16.568 17.528 1.856 1.00 12.39 N ATOM 1509 CA ARG A 97 16.369 18.869 1.242 1.00 13.82 C ATOM 1510 C ARG A 97 17.681 19.308 0.589 1.00 14.98 C ATOM 1511 O ARG A 97 17.692 19.965 -0.430 1.00 16.48 O ATOM 1512 CB ARG A 97 15.961 19.877 2.333 1.00 18.70 C ATOM 1513 CG ARG A 97 14.568 20.470 2.027 1.00 27.27 C ATOM 1514 CD ARG A 97 14.475 21.923 2.531 1.00 36.05 C ATOM 1515 NE ARG A 97 14.228 22.857 1.384 1.00 38.76 N ATOM 1516 CZ ARG A 97 14.912 22.761 0.273 1.00 40.02 C ATOM 1517 NH1 ARG A 97 15.882 21.897 0.169 1.00 39.86 N ATOM 1518 NH2 ARG A 97 14.637 23.549 -0.731 1.00 40.96 N ATOM 0 H ARG A 97 16.460 17.491 2.870 1.00 12.39 H new ATOM 0 HA ARG A 97 15.581 18.825 0.490 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.948 19.384 3.305 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.699 20.677 2.391 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.381 20.439 0.954 1.00 27.27 H new ATOM 0 HG3 ARG A 97 13.796 19.864 2.502 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.670 22.011 3.261 1.00 36.05 H new ATOM 0 HD3 ARG A 97 15.398 22.198 3.041 1.00 36.05 H new ATOM 0 HE ARG A 97 13.514 23.580 1.472 1.00 38.76 H new ATOM 0 HH11 ARG A 97 16.112 21.291 0.957 1.00 39.86 H new ATOM 0 HH12 ARG A 97 16.412 21.827 -0.700 1.00 39.86 H new ATOM 0 HH21 ARG A 97 13.890 24.238 -0.648 1.00 40.96 H new ATOM 0 HH22 ARG A 97 15.169 23.475 -1.598 1.00 40.96 H new ATOM 1532 N LEU A 98 18.787 18.943 1.168 1.00 12.44 N ATOM 1533 CA LEU A 98 20.097 19.318 0.582 1.00 12.45 C ATOM 1534 C LEU A 98 20.321 18.508 -0.701 1.00 14.25 C ATOM 1535 O LEU A 98 20.905 18.977 -1.658 1.00 12.19 O ATOM 1536 CB LEU A 98 21.197 18.996 1.598 1.00 13.23 C ATOM 1537 CG LEU A 98 21.309 20.122 2.633 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.126 20.062 3.601 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.609 19.953 3.420 1.00 15.05 C ATOM 0 H LEU A 98 18.839 18.397 2.028 1.00 12.44 H new ATOM 0 HA LEU A 98 20.117 20.381 0.344 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.975 18.053 2.098 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.150 18.868 1.085 1.00 13.23 H new ATOM 0 HG LEU A 98 21.305 21.083 2.119 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.213 20.865 4.333 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.195 20.177 3.046 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.125 19.101 4.115 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.694 20.751 4.158 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.604 18.989 3.928 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.457 19.999 2.736 1.00 15.05 H new ATOM 1551 N LYS A 99 19.872 17.283 -0.707 1.00 0.00 N ATOM 1552 CA LYS A 99 20.056 16.399 -1.896 1.00 0.00 C ATOM 1553 C LYS A 99 19.284 16.925 -3.116 1.00 0.00 C ATOM 1554 O LYS A 99 19.852 17.136 -4.169 1.00 0.00 O ATOM 1555 CB LYS A 99 19.551 14.999 -1.547 1.00 0.00 C ATOM 1556 CG LYS A 99 19.988 14.004 -2.626 1.00 0.00 C ATOM 1557 CD LYS A 99 19.078 12.774 -2.587 1.00 0.00 C ATOM 1558 CE LYS A 99 19.268 12.037 -1.259 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.509 10.756 -1.292 1.00 0.00 N ATOM 0 H LYS A 99 19.378 16.850 0.073 1.00 0.00 H new ATOM 0 HA LYS A 99 21.115 16.378 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.943 14.693 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.464 15.005 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.941 14.473 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.024 13.708 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.037 13.076 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.311 12.110 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.326 11.841 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.920 12.657 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.637 10.253 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.499 10.955 -1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.861 10.164 -2.071 1.00 0.00 H new ATOM 1573 N GLN A 100 17.993 17.106 -3.001 1.00 18.17 N ATOM 1574 CA GLN A 100 17.200 17.577 -4.176 1.00 18.02 C ATOM 1575 C GLN A 100 17.909 18.746 -4.864 1.00 18.05 C ATOM 1576 O GLN A 100 17.801 18.921 -6.062 1.00 19.19 O ATOM 1577 CB GLN A 100 15.801 18.019 -3.722 1.00 20.45 C ATOM 1578 CG GLN A 100 15.861 18.541 -2.287 1.00 29.25 C ATOM 1579 CD GLN A 100 14.698 19.503 -2.037 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.635 20.566 -2.624 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.769 19.174 -1.182 1.00 38.64 N ATOM 0 H GLN A 100 17.456 16.949 -2.148 1.00 18.17 H new ATOM 0 HA GLN A 100 17.107 16.753 -4.884 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.423 18.797 -4.386 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.107 17.181 -3.785 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.814 17.708 -1.585 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.809 19.050 -2.115 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.822 18.282 -0.690 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.990 19.808 -1.006 1.00 38.64 H new ATOM 1590 N ILE A 101 18.631 19.547 -4.129 1.00 0.00 N ATOM 1591 CA ILE A 101 19.338 20.697 -4.761 1.00 0.00 C ATOM 1592 C ILE A 101 20.829 20.377 -4.874 1.00 0.00 C ATOM 1593 O ILE A 101 21.562 21.029 -5.591 1.00 0.00 O ATOM 1594 CB ILE A 101 19.135 21.950 -3.910 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.622 21.690 -2.482 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.648 22.311 -3.881 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.330 22.916 -1.612 1.00 0.00 C ATOM 0 H ILE A 101 18.762 19.456 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 101 18.934 20.874 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 101 19.704 22.774 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.124 20.812 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.691 21.478 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.502 23.205 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.300 22.501 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.081 21.485 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.677 22.731 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.848 23.784 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.257 23.107 -1.601 1.00 0.00 H new ATOM 1609 N GLY A 102 21.279 19.368 -4.183 1.00 11.15 N ATOM 1610 CA GLY A 102 22.720 18.993 -4.261 1.00 12.21 C ATOM 1611 C GLY A 102 23.562 19.944 -3.412 1.00 14.73 C ATOM 1612 O GLY A 102 24.640 20.346 -3.800 1.00 18.54 O ATOM 0 H GLY A 102 20.712 18.786 -3.567 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.855 17.969 -3.914 1.00 12.21 H new ATOM 0 HA3 GLY A 102 23.056 19.026 -5.297 1.00 12.21 H new ATOM 1616 N ALA A 103 23.086 20.306 -2.256 1.00 10.84 N ATOM 1617 CA ALA A 103 23.872 21.228 -1.386 1.00 9.88 C ATOM 1618 C ALA A 103 24.883 20.420 -0.568 1.00 9.21 C ATOM 1619 O ALA A 103 25.732 20.968 0.107 1.00 7.47 O ATOM 1620 CB ALA A 103 22.927 21.970 -0.439 1.00 4.30 C ATOM 0 H ALA A 103 22.189 20.006 -1.874 1.00 10.84 H new ATOM 0 HA ALA A 103 24.401 21.950 -2.008 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.503 22.643 0.196 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.208 22.546 -1.021 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.396 21.250 0.183 1.00 4.30 H new ATOM 1626 N LEU A 104 24.795 19.119 -0.623 1.00 0.00 N ATOM 1627 CA LEU A 104 25.744 18.264 0.148 1.00 0.00 C ATOM 1628 C LEU A 104 26.900 17.825 -0.753 1.00 0.00 C ATOM 1629 O LEU A 104 26.968 18.176 -1.915 1.00 0.00 O ATOM 1630 CB LEU A 104 25.002 17.029 0.681 1.00 0.00 C ATOM 1631 CG LEU A 104 24.823 15.979 -0.428 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.976 14.820 0.100 1.00 0.00 C ATOM 1633 CD2 LEU A 104 24.115 16.605 -1.632 1.00 0.00 C ATOM 0 H LEU A 104 24.103 18.608 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 104 26.145 18.835 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.558 16.596 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.027 17.324 1.069 1.00 0.00 H new ATOM 0 HG LEU A 104 25.804 15.615 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.849 14.075 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.476 14.364 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.999 15.194 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.992 15.854 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.136 16.974 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.712 17.433 -2.015 1.00 0.00 H new ATOM 1645 N GLN A 105 27.805 17.051 -0.221 1.00 0.00 N ATOM 1646 CA GLN A 105 28.959 16.575 -1.034 1.00 0.00 C ATOM 1647 C GLN A 105 28.527 15.379 -1.886 1.00 0.00 C ATOM 1648 O GLN A 105 28.295 15.571 -3.068 1.00 0.00 O ATOM 1649 CB GLN A 105 30.096 16.157 -0.097 1.00 0.00 C ATOM 1650 CG GLN A 105 30.864 17.398 0.366 1.00 0.00 C ATOM 1651 CD GLN A 105 31.814 17.854 -0.744 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.388 18.432 -1.725 1.00 0.00 O ATOM 1653 NE2 GLN A 105 33.092 17.616 -0.631 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.436 14.291 -1.340 1.00 0.00 O ATOM 0 H GLN A 105 27.795 16.726 0.746 1.00 0.00 H new ATOM 0 HA GLN A 105 29.302 17.376 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.693 15.624 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.770 15.471 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.167 18.198 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 105 31.427 17.173 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.450 17.131 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.733 17.915 -1.366 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.387 27.520 19.639 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.166 28.725 18.793 1.00 0.00 C HETATM 1666 C1 GSH A 106 13.836 28.291 17.364 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.061 27.134 17.050 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.361 29.123 16.609 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.436 29.583 18.792 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.722 30.086 20.214 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.065 31.577 20.184 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.748 32.054 19.300 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.628 32.310 21.169 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.013 33.748 21.264 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.355 34.549 20.132 1.00 0.00 C HETATM 1676 O2 GSH A 106 14.225 34.301 19.760 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.541 33.878 21.169 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.323 32.328 21.685 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.973 35.632 19.737 1.00 0.00 N HETATM 1680 CA3 GSH A 106 15.282 36.616 18.850 1.00 0.00 C HETATM 1681 C3 GSH A 106 15.704 38.031 19.243 1.00 0.00 C HETATM 1682 O31 GSH A 106 15.971 38.240 20.415 1.00 0.00 O HETATM 1683 O32 GSH A 106 15.872 38.845 18.351 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.619 27.626 20.627 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.307 26.589 19.231 1.00 0.00 H new HETATM 0 HG13 GSH A 106 14.853 29.917 20.850 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.548 29.523 20.648 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.832 34.120 20.147 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.885 34.697 21.800 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.280 28.999 18.426 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.315 30.428 18.114 1.00 0.00 H new HETATM 0 HA32 GSH A 106 15.536 36.424 17.807 1.00 0.00 H new HETATM 0 HA31 GSH A 106 14.201 36.508 18.940 1.00 0.00 H new HETATM 0 HN3 GSH A 106 16.932 35.806 20.036 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.020 31.899 21.878 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.672 34.144 22.220 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.336 29.307 19.193 1.00 0.00 H new