USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 200 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -173:sc= 1.25 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.39 K(o=2.6,f=-4.6!) USER MOD Set 2.1: A 56 SER OG : rot -66:sc= -0.626 USER MOD Set 2.2: A 60 MET CE :methyl -172:sc= -2.3 (180deg=-2.6) USER MOD Set 3.1: A 17 MET CE :methyl 156:sc= -1.43 (180deg=-2.25!) USER MOD Set 3.2: A 109 LYS NZ :NH3+ 141:sc= -2.39! (180deg=-3.45!) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 16 THR OG1 : rot 119:sc= 0.187 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.804 K(o=0.8,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -0.784 (180deg=-1.94) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= -0.349 K(o=-0.35,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= 0.0242 (180deg=-0.00553) USER MOD Single : A 47 GLN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 51 TYR OH : rot 130:sc= -0.377 USER MOD Single : A 59 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.5) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 13:sc= 0.834 USER MOD Single : A 78 MET CE :methyl -115:sc= 0 (180deg=-1.38) USER MOD Single : A 79 SER OG : rot -100:sc= 1.26 USER MOD Single : A 85 MET CE :methyl -177:sc= -1.37 (180deg=-1.52) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -2.39! C(o=-2.4!,f=-4.4!) USER MOD Single : A 104 SER OG : rot -120:sc= 0.454 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 115 THR OG1 : rot -170:sc= -0.342 USER MOD Single : A 119 LYS NZ :NH3+ 163:sc= -0.0645 (180deg=-0.465) USER MOD Single : A 121 ASN : amide:sc= 0.254 K(o=0.25,f=-0.91) USER MOD Single : A 122 LYS NZ :NH3+ -169:sc=-0.00677 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.432 -1.724 -7.576 1.00 0.00 N ATOM 38 CA LYS A 4 -14.790 -1.761 -6.140 1.00 0.00 C ATOM 39 C LYS A 4 -14.405 -3.079 -5.445 1.00 0.00 C ATOM 40 O LYS A 4 -13.855 -3.080 -4.353 1.00 0.00 O ATOM 41 CB LYS A 4 -16.284 -1.468 -5.990 1.00 0.00 C ATOM 42 CG LYS A 4 -16.597 -0.030 -6.409 1.00 0.00 C ATOM 43 CD LYS A 4 -18.098 0.167 -6.620 1.00 0.00 C ATOM 44 CE LYS A 4 -18.381 1.540 -7.227 1.00 0.00 C ATOM 45 NZ LYS A 4 -19.785 1.607 -7.644 1.00 0.00 N ATOM 0 HA LYS A 4 -14.207 -0.991 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.859 -2.164 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.589 -1.625 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.240 0.661 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.063 0.209 -7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.484 -0.613 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.620 0.070 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.169 2.323 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.727 1.714 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.980 2.541 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.972 0.869 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.400 1.459 -6.818 1.00 0.00 H new ATOM 50 N GLU A 5 -14.591 -4.194 -6.165 1.00 0.00 N ATOM 51 CA GLU A 5 -14.232 -5.539 -5.667 1.00 0.00 C ATOM 52 C GLU A 5 -12.742 -5.813 -5.974 1.00 0.00 C ATOM 53 O GLU A 5 -12.398 -6.501 -6.933 1.00 0.00 O ATOM 54 CB GLU A 5 -15.179 -6.561 -6.305 1.00 0.00 C ATOM 55 CG GLU A 5 -15.159 -7.955 -5.646 1.00 0.00 C ATOM 56 CD GLU A 5 -13.893 -8.774 -5.911 1.00 0.00 C ATOM 57 OE1 GLU A 5 -13.862 -9.443 -6.961 1.00 0.00 O ATOM 58 OE2 GLU A 5 -13.017 -8.773 -5.020 1.00 0.00 O ATOM 0 H GLU A 5 -14.991 -4.195 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.349 -5.613 -4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.195 -6.169 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.920 -6.668 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.277 -7.834 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.021 -8.521 -6.000 1.00 0.00 H new ATOM 60 N LEU A 6 -11.882 -5.110 -5.243 1.00 0.00 N ATOM 61 CA LEU A 6 -10.424 -5.217 -5.372 1.00 0.00 C ATOM 62 C LEU A 6 -9.778 -5.637 -4.040 1.00 0.00 C ATOM 63 O LEU A 6 -10.110 -5.115 -2.980 1.00 0.00 O ATOM 64 CB LEU A 6 -9.879 -3.861 -5.849 1.00 0.00 C ATOM 65 CG LEU A 6 -8.520 -3.931 -6.566 1.00 0.00 C ATOM 66 CD1 LEU A 6 -8.359 -2.696 -7.457 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.332 -4.049 -5.615 1.00 0.00 C ATOM 0 H LEU A 6 -12.178 -4.440 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.176 -5.989 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.607 -3.409 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.787 -3.199 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.520 -4.843 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.397 -2.739 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.161 -2.672 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.403 -1.796 -6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.408 -4.093 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.307 -3.182 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.432 -4.956 -5.019 1.00 0.00 H new ATOM 69 N LYS A 7 -8.884 -6.626 -4.159 1.00 0.00 N ATOM 70 CA LYS A 7 -8.110 -7.179 -3.026 1.00 0.00 C ATOM 71 C LYS A 7 -6.942 -6.276 -2.593 1.00 0.00 C ATOM 72 O LYS A 7 -5.918 -6.176 -3.283 1.00 0.00 O ATOM 73 CB LYS A 7 -7.621 -8.594 -3.355 1.00 0.00 C ATOM 74 CG LYS A 7 -8.598 -9.677 -2.878 1.00 0.00 C ATOM 75 CD LYS A 7 -8.543 -9.853 -1.363 1.00 0.00 C ATOM 76 CE LYS A 7 -9.536 -10.921 -0.876 1.00 0.00 C ATOM 77 NZ LYS A 7 -9.307 -11.207 0.542 1.00 0.00 N ATOM 0 H LYS A 7 -8.671 -7.073 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.787 -7.225 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.479 -8.685 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.648 -8.756 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.612 -9.411 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.360 -10.623 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.533 -10.134 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.765 -8.902 -0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.558 -10.574 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.420 -11.832 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.982 -11.930 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.336 -11.557 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.440 -10.338 1.097 1.00 0.00 H new ATOM 82 N PHE A 8 -7.160 -5.623 -1.461 1.00 0.00 N ATOM 83 CA PHE A 8 -6.209 -4.686 -0.828 1.00 0.00 C ATOM 84 C PHE A 8 -5.591 -5.235 0.460 1.00 0.00 C ATOM 85 O PHE A 8 -6.222 -5.982 1.215 1.00 0.00 O ATOM 86 CB PHE A 8 -6.935 -3.423 -0.364 1.00 0.00 C ATOM 87 CG PHE A 8 -7.268 -2.426 -1.469 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.440 -2.614 -2.241 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.458 -1.279 -1.616 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.789 -1.632 -3.186 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.811 -0.309 -2.569 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.972 -0.491 -3.354 1.00 0.00 C ATOM 0 H PHE A 8 -8.026 -5.725 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.450 -4.509 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.861 -3.716 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.319 -2.922 0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.053 -3.493 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.578 -1.149 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.681 -1.750 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.199 0.571 -2.701 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.238 0.251 -4.092 1.00 0.00 H new ATOM 94 N LEU A 9 -4.330 -4.880 0.663 1.00 0.00 N ATOM 95 CA LEU A 9 -3.631 -5.224 1.901 1.00 0.00 C ATOM 96 C LEU A 9 -3.115 -3.983 2.632 1.00 0.00 C ATOM 97 O LEU A 9 -2.195 -3.291 2.174 1.00 0.00 O ATOM 98 CB LEU A 9 -2.447 -6.148 1.616 1.00 0.00 C ATOM 99 CG LEU A 9 -2.358 -7.315 2.623 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.937 -7.823 2.524 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.592 -6.961 4.091 1.00 0.00 C ATOM 0 H LEU A 9 -3.769 -4.356 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.357 -5.730 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.537 -6.549 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.523 -5.571 1.649 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.147 -8.020 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.799 -8.656 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.741 -8.159 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.245 -7.021 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.504 -7.860 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.849 -6.231 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.590 -6.539 4.209 1.00 0.00 H new ATOM 103 N VAL A 10 -3.739 -3.720 3.772 1.00 0.00 N ATOM 104 CA VAL A 10 -3.350 -2.595 4.646 1.00 0.00 C ATOM 105 C VAL A 10 -2.298 -3.143 5.614 1.00 0.00 C ATOM 106 O VAL A 10 -2.571 -3.962 6.485 1.00 0.00 O ATOM 107 CB VAL A 10 -4.575 -1.991 5.347 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.192 -0.958 6.413 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.465 -1.286 4.305 1.00 0.00 C ATOM 0 H VAL A 10 -4.524 -4.268 4.125 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.923 -1.767 4.080 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.099 -2.813 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.095 -0.562 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.571 -1.432 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.637 -0.144 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.335 -0.856 4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.897 -0.493 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.793 -2.009 3.558 1.00 0.00 H new ATOM 111 N VAL A 11 -1.071 -2.730 5.329 1.00 0.00 N ATOM 112 CA VAL A 11 0.114 -3.146 6.089 1.00 0.00 C ATOM 113 C VAL A 11 0.583 -1.971 6.962 1.00 0.00 C ATOM 114 O VAL A 11 1.411 -1.146 6.575 1.00 0.00 O ATOM 115 CB VAL A 11 1.251 -3.657 5.178 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.273 -4.412 6.025 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.758 -4.581 4.056 1.00 0.00 C ATOM 0 H VAL A 11 -0.862 -2.093 4.560 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.161 -3.988 6.723 1.00 0.00 H new ATOM 0 HB VAL A 11 1.695 -2.781 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.078 -4.775 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.684 -3.743 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.788 -5.257 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.606 -4.905 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.268 -5.452 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.049 -4.043 3.427 1.00 0.00 H new ATOM 119 N ASP A 12 0.037 -1.944 8.167 1.00 0.00 N ATOM 120 CA ASP A 12 0.354 -0.864 9.120 1.00 0.00 C ATOM 121 C ASP A 12 0.562 -1.392 10.546 1.00 0.00 C ATOM 122 O ASP A 12 -0.377 -1.855 11.200 1.00 0.00 O ATOM 123 CB ASP A 12 -0.745 0.188 9.041 1.00 0.00 C ATOM 124 CG ASP A 12 -0.300 1.532 9.619 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.113 1.577 10.858 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.119 2.474 8.820 1.00 0.00 O ATOM 0 H ASP A 12 -0.620 -2.642 8.516 1.00 0.00 H new ATOM 0 HA ASP A 12 1.304 -0.406 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.043 0.322 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.623 -0.165 9.581 1.00 0.00 H new ATOM 128 N ASP A 13 1.731 -1.061 11.065 1.00 0.00 N ATOM 129 CA ASP A 13 2.172 -1.442 12.430 1.00 0.00 C ATOM 130 C ASP A 13 1.296 -0.941 13.582 1.00 0.00 C ATOM 131 O ASP A 13 1.278 -1.541 14.653 1.00 0.00 O ATOM 132 CB ASP A 13 3.637 -1.041 12.657 1.00 0.00 C ATOM 133 CG ASP A 13 3.924 0.471 12.641 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.374 1.155 11.749 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.718 0.892 13.506 1.00 0.00 O ATOM 0 H ASP A 13 2.424 -0.512 10.557 1.00 0.00 H new ATOM 0 HA ASP A 13 2.063 -2.526 12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.960 -1.444 13.617 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.248 -1.517 11.890 1.00 0.00 H new ATOM 137 N PHE A 14 0.588 0.164 13.354 1.00 0.00 N ATOM 138 CA PHE A 14 -0.286 0.760 14.375 1.00 0.00 C ATOM 139 C PHE A 14 -1.737 0.327 14.152 1.00 0.00 C ATOM 140 O PHE A 14 -2.346 0.641 13.133 1.00 0.00 O ATOM 141 CB PHE A 14 -0.176 2.290 14.309 1.00 0.00 C ATOM 142 CG PHE A 14 -0.430 2.945 15.672 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.389 2.606 16.778 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.440 3.919 15.779 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.171 3.250 18.015 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.649 4.561 17.014 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.840 4.224 18.122 1.00 0.00 C ATOM 0 H PHE A 14 0.600 0.670 12.468 1.00 0.00 H new ATOM 0 HA PHE A 14 0.029 0.416 15.360 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.816 2.567 13.953 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.893 2.674 13.583 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.169 1.866 16.676 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.048 4.171 14.923 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.776 2.997 18.874 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.423 5.307 17.114 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.000 4.722 19.067 1.00 0.00 H new ATOM 149 N SER A 15 -2.264 -0.348 15.176 1.00 0.00 N ATOM 150 CA SER A 15 -3.639 -0.872 15.216 1.00 0.00 C ATOM 151 C SER A 15 -4.697 0.143 14.747 1.00 0.00 C ATOM 152 O SER A 15 -5.481 -0.142 13.845 1.00 0.00 O ATOM 153 CB SER A 15 -3.978 -1.360 16.631 1.00 0.00 C ATOM 154 OG SER A 15 -3.717 -0.313 17.579 1.00 0.00 O ATOM 0 H SER A 15 -1.736 -0.553 16.024 1.00 0.00 H new ATOM 0 HA SER A 15 -3.670 -1.704 14.512 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.025 -1.658 16.682 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.384 -2.241 16.875 1.00 0.00 H new ATOM 0 HG SER A 15 -3.936 -0.627 18.481 1.00 0.00 H new ATOM 157 N THR A 16 -4.605 1.358 15.287 1.00 0.00 N ATOM 158 CA THR A 16 -5.508 2.478 14.940 1.00 0.00 C ATOM 159 C THR A 16 -5.397 2.821 13.452 1.00 0.00 C ATOM 160 O THR A 16 -6.377 2.653 12.720 1.00 0.00 O ATOM 161 CB THR A 16 -5.192 3.732 15.780 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.890 3.335 17.115 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.365 4.720 15.784 1.00 0.00 C ATOM 0 H THR A 16 -3.901 1.604 15.983 1.00 0.00 H new ATOM 0 HA THR A 16 -6.526 2.156 15.161 1.00 0.00 H new ATOM 0 HB THR A 16 -4.336 4.238 15.334 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.974 3.603 17.337 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.105 5.591 16.386 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.578 5.035 14.763 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.246 4.237 16.206 1.00 0.00 H new ATOM 166 N MET A 17 -4.175 3.101 12.977 1.00 0.00 N ATOM 167 CA MET A 17 -3.954 3.451 11.554 1.00 0.00 C ATOM 168 C MET A 17 -4.380 2.359 10.566 1.00 0.00 C ATOM 169 O MET A 17 -5.029 2.663 9.565 1.00 0.00 O ATOM 170 CB MET A 17 -2.499 3.858 11.309 1.00 0.00 C ATOM 171 CG MET A 17 -2.391 5.341 10.923 1.00 0.00 C ATOM 172 SD MET A 17 -3.242 5.785 9.359 1.00 0.00 S ATOM 173 CE MET A 17 -2.135 5.054 8.165 1.00 0.00 C ATOM 0 H MET A 17 -3.328 3.094 13.545 1.00 0.00 H new ATOM 0 HA MET A 17 -4.607 4.302 11.360 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.911 3.670 12.207 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.076 3.242 10.516 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.805 5.945 11.731 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.337 5.605 10.836 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.678 4.851 7.242 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.315 5.742 7.960 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.735 4.121 8.563 1.00 0.00 H new ATOM 175 N ARG A 18 -4.123 1.104 10.929 1.00 0.00 N ATOM 176 CA ARG A 18 -4.503 -0.080 10.126 1.00 0.00 C ATOM 177 C ARG A 18 -6.024 -0.085 9.874 1.00 0.00 C ATOM 178 O ARG A 18 -6.479 0.078 8.738 1.00 0.00 O ATOM 179 CB ARG A 18 -4.082 -1.341 10.877 1.00 0.00 C ATOM 180 CG ARG A 18 -3.651 -2.465 9.926 1.00 0.00 C ATOM 181 CD ARG A 18 -3.388 -3.800 10.652 1.00 0.00 C ATOM 182 NE ARG A 18 -2.430 -3.643 11.759 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.471 -4.267 12.940 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.195 -5.365 13.137 1.00 0.00 N ATOM 185 NH2 ARG A 18 -1.586 -3.950 13.873 1.00 0.00 N ATOM 0 H ARG A 18 -3.641 0.867 11.796 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.999 -0.048 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.260 -1.103 11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.910 -1.688 11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.425 -2.613 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.747 -2.160 9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.328 -4.195 11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.004 -4.531 9.940 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.658 -2.993 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.744 -5.758 12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.202 -5.814 14.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.882 -3.236 13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.608 -4.420 14.778 1.00 0.00 H new ATOM 192 N ARG A 19 -6.771 0.024 10.978 1.00 0.00 N ATOM 193 CA ARG A 19 -8.238 0.090 11.003 1.00 0.00 C ATOM 194 C ARG A 19 -8.813 1.270 10.197 1.00 0.00 C ATOM 195 O ARG A 19 -9.809 1.109 9.487 1.00 0.00 O ATOM 196 CB ARG A 19 -8.684 0.167 12.471 1.00 0.00 C ATOM 197 CG ARG A 19 -9.568 -1.008 12.921 1.00 0.00 C ATOM 198 CD ARG A 19 -8.975 -2.395 12.654 1.00 0.00 C ATOM 199 NE ARG A 19 -7.623 -2.558 13.219 1.00 0.00 N ATOM 200 CZ ARG A 19 -6.721 -3.465 12.858 1.00 0.00 C ATOM 201 NH1 ARG A 19 -6.967 -4.410 11.961 1.00 0.00 N ATOM 202 NH2 ARG A 19 -5.511 -3.442 13.409 1.00 0.00 N ATOM 0 H ARG A 19 -6.358 0.070 11.910 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.628 -0.806 10.520 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.799 0.206 13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.229 1.098 12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.762 -0.910 13.989 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.530 -0.936 12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.634 -3.154 13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.937 -2.568 11.578 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.353 -1.911 13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.882 -4.463 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.241 -5.084 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.280 -2.732 14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.814 -4.135 13.137 1.00 0.00 H new ATOM 209 N ILE A 20 -8.175 2.427 10.320 1.00 0.00 N ATOM 210 CA ILE A 20 -8.555 3.669 9.607 1.00 0.00 C ATOM 211 C ILE A 20 -8.559 3.444 8.088 1.00 0.00 C ATOM 212 O ILE A 20 -9.631 3.421 7.487 1.00 0.00 O ATOM 213 CB ILE A 20 -7.653 4.860 10.035 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.747 5.170 11.542 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.857 6.132 9.199 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.152 5.422 12.109 1.00 0.00 C ATOM 0 H ILE A 20 -7.363 2.545 10.926 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.573 3.936 9.891 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.640 4.516 9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.304 4.338 12.089 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.135 6.048 11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.191 6.916 9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.634 5.920 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.891 6.464 9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.082 5.628 13.177 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.601 6.277 11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.772 4.540 11.950 1.00 0.00 H new ATOM 218 N VAL A 21 -7.404 3.039 7.545 1.00 0.00 N ATOM 219 CA VAL A 21 -7.229 2.801 6.095 1.00 0.00 C ATOM 220 C VAL A 21 -8.255 1.783 5.561 1.00 0.00 C ATOM 221 O VAL A 21 -8.931 2.051 4.570 1.00 0.00 O ATOM 222 CB VAL A 21 -5.808 2.348 5.718 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.586 2.526 4.214 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.695 3.104 6.444 1.00 0.00 C ATOM 0 H VAL A 21 -6.561 2.865 8.093 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.399 3.768 5.622 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.749 1.303 6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.578 2.203 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.312 1.926 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.710 3.576 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.726 2.723 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.764 4.166 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.800 2.962 7.520 1.00 0.00 H new ATOM 226 N ARG A 22 -8.448 0.688 6.307 1.00 0.00 N ATOM 227 CA ARG A 22 -9.408 -0.370 5.976 1.00 0.00 C ATOM 228 C ARG A 22 -10.827 0.175 5.760 1.00 0.00 C ATOM 229 O ARG A 22 -11.377 0.070 4.657 1.00 0.00 O ATOM 230 CB ARG A 22 -9.377 -1.374 7.126 1.00 0.00 C ATOM 231 CG ARG A 22 -8.144 -2.287 7.078 1.00 0.00 C ATOM 232 CD ARG A 22 -8.278 -3.470 8.038 1.00 0.00 C ATOM 233 NE ARG A 22 -9.297 -4.410 7.539 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.479 -4.681 8.089 1.00 0.00 C ATOM 235 NH1 ARG A 22 -10.950 -4.016 9.142 1.00 0.00 N ATOM 236 NH2 ARG A 22 -11.274 -5.569 7.507 1.00 0.00 N ATOM 0 H ARG A 22 -7.934 0.511 7.170 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.128 -0.841 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.390 -0.836 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.279 -1.985 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.004 -2.657 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.254 -1.711 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.319 -3.979 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.554 -3.114 9.031 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.072 -4.908 6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.399 -3.266 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.861 -4.257 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.977 -6.034 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.182 -5.786 7.917 1.00 0.00 H new ATOM 243 N ASN A 23 -11.335 0.888 6.768 1.00 0.00 N ATOM 244 CA ASN A 23 -12.668 1.527 6.718 1.00 0.00 C ATOM 245 C ASN A 23 -12.807 2.550 5.580 1.00 0.00 C ATOM 246 O ASN A 23 -13.808 2.541 4.853 1.00 0.00 O ATOM 247 CB ASN A 23 -13.016 2.173 8.065 1.00 0.00 C ATOM 248 CG ASN A 23 -13.509 1.127 9.072 1.00 0.00 C ATOM 249 OD1 ASN A 23 -14.668 0.734 9.107 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.631 0.645 9.929 1.00 0.00 N ATOM 0 H ASN A 23 -10.840 1.043 7.646 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.380 0.728 6.509 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.138 2.681 8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.785 2.932 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.919 -0.052 10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.664 0.969 9.905 1.00 0.00 H new ATOM 254 N LEU A 24 -11.743 3.330 5.352 1.00 0.00 N ATOM 255 CA LEU A 24 -11.680 4.320 4.253 1.00 0.00 C ATOM 256 C LEU A 24 -11.957 3.665 2.895 1.00 0.00 C ATOM 257 O LEU A 24 -12.857 4.054 2.171 1.00 0.00 O ATOM 258 CB LEU A 24 -10.298 4.988 4.217 1.00 0.00 C ATOM 259 CG LEU A 24 -10.007 5.871 5.438 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.621 6.507 5.304 1.00 0.00 C ATOM 261 CD2 LEU A 24 -11.040 6.971 5.689 1.00 0.00 C ATOM 0 H LEU A 24 -10.897 3.298 5.921 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.448 5.070 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.532 4.215 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.221 5.594 3.315 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.055 5.203 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.422 7.132 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.866 5.724 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.587 7.119 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.754 7.545 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.084 7.633 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.019 6.520 5.851 1.00 0.00 H new ATOM 263 N LEU A 25 -11.206 2.594 2.628 1.00 0.00 N ATOM 264 CA LEU A 25 -11.345 1.770 1.405 1.00 0.00 C ATOM 265 C LEU A 25 -12.776 1.256 1.204 1.00 0.00 C ATOM 266 O LEU A 25 -13.392 1.530 0.183 1.00 0.00 O ATOM 267 CB LEU A 25 -10.378 0.590 1.415 1.00 0.00 C ATOM 268 CG LEU A 25 -8.946 1.107 1.337 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.934 0.024 1.693 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.622 1.674 -0.059 1.00 0.00 C ATOM 0 H LEU A 25 -10.474 2.263 3.256 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.101 2.427 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.515 0.001 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.584 -0.070 0.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.869 1.911 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.926 0.432 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.117 -0.325 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.035 -0.810 0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.593 2.033 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.746 0.891 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.298 2.500 -0.282 1.00 0.00 H new ATOM 272 N LYS A 26 -13.319 0.688 2.283 1.00 0.00 N ATOM 273 CA LYS A 26 -14.707 0.162 2.304 1.00 0.00 C ATOM 274 C LYS A 26 -15.722 1.250 1.918 1.00 0.00 C ATOM 275 O LYS A 26 -16.494 1.058 0.976 1.00 0.00 O ATOM 276 CB LYS A 26 -15.084 -0.402 3.677 1.00 0.00 C ATOM 277 CG LYS A 26 -14.210 -1.570 4.119 1.00 0.00 C ATOM 278 CD LYS A 26 -14.776 -2.172 5.413 1.00 0.00 C ATOM 279 CE LYS A 26 -13.790 -3.136 6.078 1.00 0.00 C ATOM 280 NZ LYS A 26 -12.699 -2.379 6.694 1.00 0.00 N ATOM 0 H LYS A 26 -12.822 0.575 3.167 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.740 -0.644 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.014 0.394 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.124 -0.726 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.176 -2.329 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.186 -1.232 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.023 -1.370 6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.704 -2.699 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.303 -3.733 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.391 -3.831 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.398 -2.854 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.897 -2.327 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.026 -1.417 6.917 1.00 0.00 H new ATOM 285 N GLU A 27 -15.540 2.437 2.491 1.00 0.00 N ATOM 286 CA GLU A 27 -16.340 3.658 2.255 1.00 0.00 C ATOM 287 C GLU A 27 -16.337 4.081 0.777 1.00 0.00 C ATOM 288 O GLU A 27 -17.352 4.517 0.236 1.00 0.00 O ATOM 289 CB GLU A 27 -15.742 4.752 3.135 1.00 0.00 C ATOM 290 CG GLU A 27 -16.178 4.662 4.602 1.00 0.00 C ATOM 291 CD GLU A 27 -15.430 5.704 5.439 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.849 6.877 5.403 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.447 5.299 6.103 1.00 0.00 O ATOM 0 H GLU A 27 -14.794 2.592 3.169 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.384 3.472 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.655 4.695 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.030 5.725 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.253 4.825 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.978 3.663 4.988 1.00 0.00 H new ATOM 295 N LEU A 28 -15.161 3.964 0.147 1.00 0.00 N ATOM 296 CA LEU A 28 -14.928 4.270 -1.280 1.00 0.00 C ATOM 297 C LEU A 28 -15.518 3.219 -2.241 1.00 0.00 C ATOM 298 O LEU A 28 -15.545 3.423 -3.457 1.00 0.00 O ATOM 299 CB LEU A 28 -13.419 4.356 -1.534 1.00 0.00 C ATOM 300 CG LEU A 28 -12.706 5.442 -0.710 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.195 5.255 -0.790 1.00 0.00 C ATOM 302 CD2 LEU A 28 -13.114 6.855 -1.122 1.00 0.00 C ATOM 0 H LEU A 28 -14.318 3.645 0.625 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.432 5.215 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.968 3.390 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.250 4.549 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.021 5.325 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.701 6.029 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.928 4.275 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.874 5.327 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.581 7.581 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.865 7.014 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.188 6.979 -0.981 1.00 0.00 H new ATOM 304 N GLY A 29 -15.883 2.071 -1.676 1.00 0.00 N ATOM 305 CA GLY A 29 -16.436 0.908 -2.406 1.00 0.00 C ATOM 306 C GLY A 29 -15.510 -0.328 -2.400 1.00 0.00 C ATOM 307 O GLY A 29 -15.982 -1.447 -2.564 1.00 0.00 O ATOM 0 H GLY A 29 -15.805 1.909 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.394 0.635 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.633 1.198 -3.438 1.00 0.00 H new ATOM 309 N PHE A 30 -14.270 -0.117 -1.961 1.00 0.00 N ATOM 310 CA PHE A 30 -13.210 -1.140 -1.922 1.00 0.00 C ATOM 311 C PHE A 30 -13.276 -1.975 -0.626 1.00 0.00 C ATOM 312 O PHE A 30 -12.508 -1.811 0.322 1.00 0.00 O ATOM 313 CB PHE A 30 -11.851 -0.455 -2.092 1.00 0.00 C ATOM 314 CG PHE A 30 -11.708 0.357 -3.385 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.766 -0.280 -4.644 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.432 1.731 -3.281 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.530 0.461 -5.814 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.184 2.481 -4.454 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.233 1.842 -5.715 1.00 0.00 C ATOM 0 H PHE A 30 -13.961 0.790 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.357 -1.842 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.682 0.206 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.069 -1.214 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.991 -1.334 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.409 2.210 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.575 -0.019 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.959 3.535 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.042 2.413 -6.611 1.00 0.00 H new ATOM 321 N ASN A 31 -14.256 -2.873 -0.655 1.00 0.00 N ATOM 322 CA ASN A 31 -14.574 -3.802 0.449 1.00 0.00 C ATOM 323 C ASN A 31 -13.607 -4.970 0.713 1.00 0.00 C ATOM 324 O ASN A 31 -13.463 -5.392 1.861 1.00 0.00 O ATOM 325 CB ASN A 31 -15.991 -4.350 0.242 1.00 0.00 C ATOM 326 CG ASN A 31 -17.039 -3.534 1.001 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.674 -4.006 1.931 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.288 -2.313 0.581 1.00 0.00 N ATOM 0 H ASN A 31 -14.871 -2.986 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.472 -3.188 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.229 -4.346 -0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.030 -5.388 0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.014 -1.756 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.755 -1.922 -0.196 1.00 0.00 H new ATOM 332 N ASN A 32 -12.855 -5.392 -0.303 1.00 0.00 N ATOM 333 CA ASN A 32 -11.954 -6.557 -0.173 1.00 0.00 C ATOM 334 C ASN A 32 -10.568 -6.162 0.365 1.00 0.00 C ATOM 335 O ASN A 32 -9.538 -6.276 -0.307 1.00 0.00 O ATOM 336 CB ASN A 32 -11.878 -7.313 -1.502 1.00 0.00 C ATOM 337 CG ASN A 32 -13.248 -7.762 -1.991 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.974 -7.050 -2.677 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.657 -8.945 -1.577 1.00 0.00 N ATOM 0 H ASN A 32 -12.845 -4.953 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.373 -7.234 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.418 -6.674 -2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.233 -8.184 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.588 -9.279 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.042 -9.526 -1.007 1.00 0.00 H new ATOM 343 N VAL A 33 -10.549 -5.824 1.645 1.00 0.00 N ATOM 344 CA VAL A 33 -9.323 -5.384 2.331 1.00 0.00 C ATOM 345 C VAL A 33 -8.906 -6.262 3.524 1.00 0.00 C ATOM 346 O VAL A 33 -9.692 -6.538 4.440 1.00 0.00 O ATOM 347 CB VAL A 33 -9.447 -3.878 2.673 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.610 -3.541 3.620 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.133 -3.324 3.222 1.00 0.00 C ATOM 0 H VAL A 33 -11.374 -5.843 2.244 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.489 -5.517 1.642 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.677 -3.389 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.626 -2.468 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.552 -3.843 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.478 -4.073 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.252 -2.265 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.861 -3.864 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.347 -3.447 2.477 1.00 0.00 H new ATOM 351 N GLU A 34 -7.644 -6.670 3.491 1.00 0.00 N ATOM 352 CA GLU A 34 -7.038 -7.491 4.554 1.00 0.00 C ATOM 353 C GLU A 34 -6.001 -6.682 5.332 1.00 0.00 C ATOM 354 O GLU A 34 -5.514 -5.657 4.864 1.00 0.00 O ATOM 355 CB GLU A 34 -6.422 -8.766 3.954 1.00 0.00 C ATOM 356 CG GLU A 34 -7.491 -9.713 3.381 1.00 0.00 C ATOM 357 CD GLU A 34 -8.557 -10.186 4.384 1.00 0.00 C ATOM 358 OE1 GLU A 34 -8.173 -10.523 5.522 1.00 0.00 O ATOM 359 OE2 GLU A 34 -9.726 -10.231 3.955 1.00 0.00 O ATOM 0 H GLU A 34 -7.004 -6.446 2.730 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.816 -7.791 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.721 -8.493 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.851 -9.288 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.992 -9.210 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.992 -10.589 2.966 1.00 0.00 H new ATOM 361 N GLU A 35 -5.596 -7.240 6.467 1.00 0.00 N ATOM 362 CA GLU A 35 -4.659 -6.554 7.375 1.00 0.00 C ATOM 363 C GLU A 35 -3.397 -7.310 7.797 1.00 0.00 C ATOM 364 O GLU A 35 -3.443 -8.480 8.146 1.00 0.00 O ATOM 365 CB GLU A 35 -5.425 -5.986 8.581 1.00 0.00 C ATOM 366 CG GLU A 35 -6.227 -6.999 9.421 1.00 0.00 C ATOM 367 CD GLU A 35 -5.365 -7.885 10.316 1.00 0.00 C ATOM 368 OE1 GLU A 35 -4.619 -7.308 11.148 1.00 0.00 O ATOM 369 OE2 GLU A 35 -5.488 -9.125 10.175 1.00 0.00 O ATOM 0 H GLU A 35 -5.895 -8.161 6.787 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.238 -5.751 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.710 -5.488 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.112 -5.221 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.939 -6.457 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.807 -7.633 8.750 1.00 0.00 H new ATOM 371 N ALA A 36 -2.282 -6.633 7.561 1.00 0.00 N ATOM 372 CA ALA A 36 -0.931 -7.091 7.945 1.00 0.00 C ATOM 373 C ALA A 36 -0.284 -6.029 8.855 1.00 0.00 C ATOM 374 O ALA A 36 -0.517 -4.834 8.716 1.00 0.00 O ATOM 375 CB ALA A 36 -0.079 -7.327 6.705 1.00 0.00 C ATOM 0 H ALA A 36 -2.279 -5.729 7.088 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.003 -8.035 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.913 -7.664 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.548 -8.088 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.008 -6.398 6.141 1.00 0.00 H new ATOM 377 N GLU A 37 0.600 -6.496 9.740 1.00 0.00 N ATOM 378 CA GLU A 37 1.265 -5.599 10.709 1.00 0.00 C ATOM 379 C GLU A 37 2.610 -5.028 10.233 1.00 0.00 C ATOM 380 O GLU A 37 2.864 -3.822 10.310 1.00 0.00 O ATOM 381 CB GLU A 37 1.462 -6.308 12.057 1.00 0.00 C ATOM 382 CG GLU A 37 0.137 -6.747 12.690 1.00 0.00 C ATOM 383 CD GLU A 37 0.338 -7.344 14.078 1.00 0.00 C ATOM 384 OE1 GLU A 37 1.009 -8.392 14.157 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.148 -6.715 15.047 1.00 0.00 O ATOM 0 H GLU A 37 0.874 -7.476 9.812 1.00 0.00 H new ATOM 0 HA GLU A 37 0.590 -4.750 10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.099 -7.181 11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.984 -5.640 12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.534 -5.891 12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.347 -7.481 12.046 1.00 0.00 H new ATOM 387 N ASP A 38 3.424 -5.888 9.640 1.00 0.00 N ATOM 388 CA ASP A 38 4.786 -5.522 9.180 1.00 0.00 C ATOM 389 C ASP A 38 5.121 -6.196 7.840 1.00 0.00 C ATOM 390 O ASP A 38 4.469 -7.173 7.480 1.00 0.00 O ATOM 391 CB ASP A 38 5.809 -5.907 10.265 1.00 0.00 C ATOM 392 CG ASP A 38 5.830 -7.418 10.566 1.00 0.00 C ATOM 393 OD1 ASP A 38 6.427 -8.139 9.731 1.00 0.00 O ATOM 394 OD2 ASP A 38 5.083 -7.824 11.479 1.00 0.00 O ATOM 0 H ASP A 38 3.175 -6.860 9.457 1.00 0.00 H new ATOM 0 HA ASP A 38 4.827 -4.445 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.803 -5.592 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.580 -5.363 11.181 1.00 0.00 H new ATOM 396 N GLY A 39 6.274 -5.806 7.292 1.00 0.00 N ATOM 397 CA GLY A 39 6.820 -6.311 6.023 1.00 0.00 C ATOM 398 C GLY A 39 6.721 -7.829 5.808 1.00 0.00 C ATOM 399 O GLY A 39 6.056 -8.292 4.881 1.00 0.00 O ATOM 0 H GLY A 39 6.875 -5.108 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.303 -5.813 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.869 -6.022 5.960 1.00 0.00 H new ATOM 401 N VAL A 40 7.283 -8.587 6.743 1.00 0.00 N ATOM 402 CA VAL A 40 7.281 -10.073 6.703 1.00 0.00 C ATOM 403 C VAL A 40 5.833 -10.625 6.604 1.00 0.00 C ATOM 404 O VAL A 40 5.472 -11.225 5.597 1.00 0.00 O ATOM 405 CB VAL A 40 8.013 -10.676 7.913 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.117 -12.197 7.782 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.428 -10.116 8.076 1.00 0.00 C ATOM 0 H VAL A 40 7.758 -8.202 7.559 1.00 0.00 H new ATOM 0 HA VAL A 40 7.824 -10.374 5.807 1.00 0.00 H new ATOM 0 HB VAL A 40 7.423 -10.406 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.639 -12.602 8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.117 -12.627 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.670 -12.447 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.903 -10.573 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.013 -10.339 7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.378 -9.036 8.217 1.00 0.00 H new ATOM 409 N ASP A 41 5.004 -10.194 7.558 1.00 0.00 N ATOM 410 CA ASP A 41 3.576 -10.577 7.640 1.00 0.00 C ATOM 411 C ASP A 41 2.813 -10.222 6.358 1.00 0.00 C ATOM 412 O ASP A 41 1.920 -10.958 5.936 1.00 0.00 O ATOM 413 CB ASP A 41 2.997 -9.897 8.881 1.00 0.00 C ATOM 414 CG ASP A 41 1.556 -10.293 9.234 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.216 -11.481 9.085 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.852 -9.365 9.696 1.00 0.00 O ATOM 0 H ASP A 41 5.299 -9.565 8.305 1.00 0.00 H new ATOM 0 HA ASP A 41 3.474 -11.658 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.638 -10.125 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.034 -8.818 8.734 1.00 0.00 H new ATOM 418 N ALA A 42 3.206 -9.111 5.733 1.00 0.00 N ATOM 419 CA ALA A 42 2.622 -8.614 4.471 1.00 0.00 C ATOM 420 C ALA A 42 2.905 -9.582 3.317 1.00 0.00 C ATOM 421 O ALA A 42 1.960 -10.008 2.659 1.00 0.00 O ATOM 422 CB ALA A 42 3.198 -7.241 4.151 1.00 0.00 C ATOM 0 H ALA A 42 3.953 -8.515 6.091 1.00 0.00 H new ATOM 0 HA ALA A 42 1.541 -8.539 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.767 -6.874 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.959 -6.549 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.280 -7.316 4.045 1.00 0.00 H new ATOM 424 N LEU A 43 4.162 -10.004 3.163 1.00 0.00 N ATOM 425 CA LEU A 43 4.568 -10.978 2.116 1.00 0.00 C ATOM 426 C LEU A 43 3.753 -12.275 2.281 1.00 0.00 C ATOM 427 O LEU A 43 3.040 -12.668 1.358 1.00 0.00 O ATOM 428 CB LEU A 43 6.072 -11.275 2.150 1.00 0.00 C ATOM 429 CG LEU A 43 6.944 -10.078 1.748 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.414 -10.409 1.989 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.750 -9.675 0.272 1.00 0.00 C ATOM 0 H LEU A 43 4.933 -9.689 3.752 1.00 0.00 H new ATOM 0 HA LEU A 43 4.359 -10.534 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.348 -11.594 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.284 -12.109 1.481 1.00 0.00 H new ATOM 0 HG LEU A 43 6.635 -9.234 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.031 -9.557 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.569 -10.630 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.694 -11.277 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.390 -8.824 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.015 -10.514 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.708 -9.402 0.103 1.00 0.00 H new ATOM 433 N ASN A 44 3.659 -12.722 3.529 1.00 0.00 N ATOM 434 CA ASN A 44 2.890 -13.914 3.935 1.00 0.00 C ATOM 435 C ASN A 44 1.419 -13.803 3.479 1.00 0.00 C ATOM 436 O ASN A 44 0.932 -14.608 2.683 1.00 0.00 O ATOM 437 CB ASN A 44 2.971 -14.071 5.464 1.00 0.00 C ATOM 438 CG ASN A 44 4.388 -14.356 5.981 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.821 -13.801 6.975 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.173 -15.124 5.261 1.00 0.00 N ATOM 0 H ASN A 44 4.123 -12.261 4.312 1.00 0.00 H new ATOM 0 HA ASN A 44 3.319 -14.794 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.599 -13.161 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.311 -14.882 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.147 -15.256 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.809 -15.588 4.429 1.00 0.00 H new ATOM 444 N LYS A 45 0.801 -12.703 3.886 1.00 0.00 N ATOM 445 CA LYS A 45 -0.584 -12.338 3.525 1.00 0.00 C ATOM 446 C LYS A 45 -0.808 -12.188 2.008 1.00 0.00 C ATOM 447 O LYS A 45 -1.730 -12.788 1.472 1.00 0.00 O ATOM 448 CB LYS A 45 -0.988 -11.054 4.277 1.00 0.00 C ATOM 449 CG LYS A 45 -1.360 -11.353 5.733 1.00 0.00 C ATOM 450 CD LYS A 45 -2.689 -12.109 5.830 1.00 0.00 C ATOM 451 CE LYS A 45 -2.929 -12.721 7.223 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.019 -11.685 8.254 1.00 0.00 N ATOM 0 H LYS A 45 1.250 -12.016 4.491 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.226 -13.164 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.165 -10.340 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.833 -10.586 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.570 -11.943 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.430 -10.419 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.507 -11.429 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.706 -12.902 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.849 -13.306 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.118 -13.408 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.814 -11.897 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.135 -11.662 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.172 -10.760 7.804 1.00 0.00 H new ATOM 457 N LEU A 46 0.117 -11.502 1.325 1.00 0.00 N ATOM 458 CA LEU A 46 0.092 -11.299 -0.138 1.00 0.00 C ATOM 459 C LEU A 46 0.018 -12.616 -0.908 1.00 0.00 C ATOM 460 O LEU A 46 -0.782 -12.749 -1.837 1.00 0.00 O ATOM 461 CB LEU A 46 1.328 -10.537 -0.624 1.00 0.00 C ATOM 462 CG LEU A 46 1.210 -9.028 -0.417 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.587 -8.372 -0.563 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.201 -8.405 -1.385 1.00 0.00 C ATOM 0 H LEU A 46 0.919 -11.063 1.777 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.808 -10.716 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.207 -10.904 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.484 -10.743 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 46 0.840 -8.849 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.495 -7.296 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.267 -8.785 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.979 -8.568 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.143 -7.331 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.520 -8.588 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.780 -8.852 -1.225 1.00 0.00 H new ATOM 466 N GLN A 47 0.804 -13.594 -0.458 1.00 0.00 N ATOM 467 CA GLN A 47 0.857 -14.960 -1.022 1.00 0.00 C ATOM 468 C GLN A 47 -0.551 -15.596 -1.100 1.00 0.00 C ATOM 469 O GLN A 47 -0.926 -16.130 -2.148 1.00 0.00 O ATOM 470 CB GLN A 47 1.814 -15.835 -0.205 1.00 0.00 C ATOM 471 CG GLN A 47 3.264 -15.338 -0.270 1.00 0.00 C ATOM 472 CD GLN A 47 4.224 -16.089 0.647 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.462 -15.760 1.804 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.875 -17.105 0.126 1.00 0.00 N ATOM 0 H GLN A 47 1.441 -13.464 0.328 1.00 0.00 H new ATOM 0 HA GLN A 47 1.236 -14.891 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.486 -15.854 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.768 -16.860 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.619 -15.422 -1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.285 -14.279 -0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.689 -17.391 -0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.567 -17.607 0.683 1.00 0.00 H new ATOM 478 N ALA A 48 -1.376 -15.281 -0.105 1.00 0.00 N ATOM 479 CA ALA A 48 -2.767 -15.766 0.012 1.00 0.00 C ATOM 480 C ALA A 48 -3.798 -14.992 -0.848 1.00 0.00 C ATOM 481 O ALA A 48 -4.709 -14.333 -0.347 1.00 0.00 O ATOM 482 CB ALA A 48 -3.135 -15.778 1.506 1.00 0.00 C ATOM 0 H ALA A 48 -1.100 -14.669 0.663 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.812 -16.773 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.159 -16.132 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.456 -16.441 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.051 -14.769 1.910 1.00 0.00 H new ATOM 484 N GLY A 49 -3.548 -15.007 -2.166 1.00 0.00 N ATOM 485 CA GLY A 49 -4.439 -14.388 -3.170 1.00 0.00 C ATOM 486 C GLY A 49 -3.815 -13.479 -4.243 1.00 0.00 C ATOM 487 O GLY A 49 -4.501 -13.165 -5.220 1.00 0.00 O ATOM 0 H GLY A 49 -2.722 -15.448 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.969 -15.191 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.187 -13.803 -2.634 1.00 0.00 H new ATOM 489 N GLY A 50 -2.605 -12.966 -4.010 1.00 0.00 N ATOM 490 CA GLY A 50 -1.895 -12.063 -4.949 1.00 0.00 C ATOM 491 C GLY A 50 -2.654 -10.732 -5.171 1.00 0.00 C ATOM 492 O GLY A 50 -2.874 -10.292 -6.291 1.00 0.00 O ATOM 0 H GLY A 50 -2.077 -13.161 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.899 -11.850 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.764 -12.568 -5.906 1.00 0.00 H new ATOM 494 N TYR A 51 -2.892 -10.075 -4.037 1.00 0.00 N ATOM 495 CA TYR A 51 -3.630 -8.803 -3.882 1.00 0.00 C ATOM 496 C TYR A 51 -3.140 -7.692 -4.828 1.00 0.00 C ATOM 497 O TYR A 51 -1.985 -7.284 -4.742 1.00 0.00 O ATOM 498 CB TYR A 51 -3.470 -8.355 -2.416 1.00 0.00 C ATOM 499 CG TYR A 51 -4.062 -9.303 -1.362 1.00 0.00 C ATOM 500 CD1 TYR A 51 -3.673 -10.678 -1.274 1.00 0.00 C ATOM 501 CD2 TYR A 51 -4.789 -8.687 -0.335 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.002 -11.409 -0.123 1.00 0.00 C ATOM 503 CE2 TYR A 51 -5.108 -9.427 0.826 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.713 -10.771 0.918 1.00 0.00 C ATOM 505 OH TYR A 51 -5.028 -11.505 2.016 1.00 0.00 O ATOM 0 H TYR A 51 -2.558 -10.431 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.674 -8.975 -4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.408 -8.228 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.937 -7.377 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.133 -11.146 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.102 -7.658 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.715 -12.446 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.651 -8.962 1.636 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.757 -11.020 2.823 1.00 0.00 H new ATOM 508 N GLY A 52 -4.116 -7.005 -5.423 1.00 0.00 N ATOM 509 CA GLY A 52 -3.884 -5.937 -6.417 1.00 0.00 C ATOM 510 C GLY A 52 -3.604 -4.524 -5.879 1.00 0.00 C ATOM 511 O GLY A 52 -3.900 -3.561 -6.582 1.00 0.00 O ATOM 0 H GLY A 52 -5.104 -7.171 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.041 -6.234 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.758 -5.884 -7.066 1.00 0.00 H new ATOM 513 N PHE A 53 -3.144 -4.445 -4.624 1.00 0.00 N ATOM 514 CA PHE A 53 -2.764 -3.185 -3.949 1.00 0.00 C ATOM 515 C PHE A 53 -2.231 -3.424 -2.532 1.00 0.00 C ATOM 516 O PHE A 53 -2.832 -4.108 -1.701 1.00 0.00 O ATOM 517 CB PHE A 53 -3.925 -2.181 -3.857 1.00 0.00 C ATOM 518 CG PHE A 53 -3.494 -0.733 -4.129 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.439 -0.127 -3.418 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.126 -0.055 -5.203 1.00 0.00 C ATOM 521 CE1 PHE A 53 -1.977 1.151 -3.786 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.673 1.234 -5.571 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.600 1.827 -4.861 1.00 0.00 C ATOM 0 H PHE A 53 -3.021 -5.267 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.977 -2.764 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.699 -2.463 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.371 -2.240 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.983 -0.645 -2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.944 -0.518 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.157 1.610 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.142 1.762 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.253 2.809 -5.145 1.00 0.00 H new ATOM 525 N VAL A 54 -1.067 -2.823 -2.309 1.00 0.00 N ATOM 526 CA VAL A 54 -0.339 -2.862 -1.020 1.00 0.00 C ATOM 527 C VAL A 54 -0.241 -1.425 -0.502 1.00 0.00 C ATOM 528 O VAL A 54 0.384 -0.566 -1.123 1.00 0.00 O ATOM 529 CB VAL A 54 1.069 -3.464 -1.182 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.773 -3.628 0.176 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.037 -4.832 -1.866 1.00 0.00 C ATOM 0 H VAL A 54 -0.583 -2.281 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.877 -3.497 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 54 1.620 -2.760 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.764 -4.055 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.868 -2.654 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.186 -4.291 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.053 -5.217 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.440 -5.523 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.595 -4.733 -2.858 1.00 0.00 H new ATOM 533 N ILE A 55 -0.924 -1.190 0.611 1.00 0.00 N ATOM 534 CA ILE A 55 -0.932 0.122 1.291 1.00 0.00 C ATOM 535 C ILE A 55 -0.088 -0.114 2.560 1.00 0.00 C ATOM 536 O ILE A 55 -0.566 -0.707 3.521 1.00 0.00 O ATOM 537 CB ILE A 55 -2.389 0.572 1.530 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.076 0.873 0.196 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.416 1.795 2.466 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.590 1.095 0.290 1.00 0.00 C ATOM 0 H ILE A 55 -1.492 -1.897 1.077 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.502 0.946 0.722 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.940 -0.235 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.619 1.761 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.886 0.047 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.448 2.106 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.961 1.532 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.858 2.614 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.990 1.302 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.065 0.200 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.794 1.941 0.946 1.00 0.00 H new ATOM 542 N SER A 56 1.186 0.262 2.480 1.00 0.00 N ATOM 543 CA SER A 56 2.132 0.007 3.584 1.00 0.00 C ATOM 544 C SER A 56 2.797 1.203 4.260 1.00 0.00 C ATOM 545 O SER A 56 3.399 2.062 3.622 1.00 0.00 O ATOM 546 CB SER A 56 3.228 -0.975 3.158 1.00 0.00 C ATOM 547 OG SER A 56 3.792 -1.581 4.330 1.00 0.00 O ATOM 0 H SER A 56 1.592 0.740 1.675 1.00 0.00 H new ATOM 0 HA SER A 56 1.467 -0.404 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.814 -1.740 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.002 -0.454 2.594 1.00 0.00 H new ATOM 0 HG SER A 56 4.260 -0.900 4.857 1.00 0.00 H new ATOM 550 N ASP A 57 2.821 1.084 5.584 1.00 0.00 N ATOM 551 CA ASP A 57 3.442 2.065 6.482 1.00 0.00 C ATOM 552 C ASP A 57 4.974 1.985 6.338 1.00 0.00 C ATOM 553 O ASP A 57 5.546 0.893 6.327 1.00 0.00 O ATOM 554 CB ASP A 57 3.028 1.762 7.935 1.00 0.00 C ATOM 555 CG ASP A 57 3.325 2.859 8.950 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.349 3.563 8.773 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.513 2.994 9.885 1.00 0.00 O ATOM 0 H ASP A 57 2.405 0.293 6.075 1.00 0.00 H new ATOM 0 HA ASP A 57 3.110 3.070 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.958 1.556 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.533 0.851 8.255 1.00 0.00 H new ATOM 559 N TRP A 58 5.597 3.140 6.145 1.00 0.00 N ATOM 560 CA TRP A 58 7.066 3.269 6.012 1.00 0.00 C ATOM 561 C TRP A 58 7.792 2.724 7.252 1.00 0.00 C ATOM 562 O TRP A 58 8.682 1.881 7.138 1.00 0.00 O ATOM 563 CB TRP A 58 7.434 4.735 5.787 1.00 0.00 C ATOM 564 CG TRP A 58 8.848 4.891 5.204 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.952 5.164 5.888 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.172 4.972 3.858 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.959 5.432 5.045 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.527 5.338 3.789 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.430 4.747 2.681 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.156 5.526 2.533 1.00 0.00 C ATOM 571 CZ3 TRP A 58 9.066 4.906 1.440 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.415 5.302 1.366 1.00 0.00 C ATOM 0 H TRP A 58 5.104 4.030 6.074 1.00 0.00 H new ATOM 0 HA TRP A 58 7.385 2.677 5.154 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.711 5.191 5.111 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.370 5.274 6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.028 5.169 6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.911 5.671 5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.391 4.457 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.189 5.837 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.514 4.722 0.530 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.882 5.434 0.401 1.00 0.00 H new ATOM 575 N ASN A 59 7.271 3.091 8.420 1.00 0.00 N ATOM 576 CA ASN A 59 7.800 2.664 9.729 1.00 0.00 C ATOM 577 C ASN A 59 7.067 1.421 10.262 1.00 0.00 C ATOM 578 O ASN A 59 5.936 1.487 10.732 1.00 0.00 O ATOM 579 CB ASN A 59 7.783 3.846 10.722 1.00 0.00 C ATOM 580 CG ASN A 59 6.507 4.684 10.677 1.00 0.00 C ATOM 581 OD1 ASN A 59 6.284 5.490 9.777 1.00 0.00 O ATOM 582 ND2 ASN A 59 5.571 4.392 11.555 1.00 0.00 N ATOM 0 H ASN A 59 6.458 3.702 8.494 1.00 0.00 H new ATOM 0 HA ASN A 59 8.839 2.361 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.914 3.459 11.732 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.636 4.492 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.655 4.836 11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.762 3.722 12.300 1.00 0.00 H new ATOM 586 N MET A 60 7.693 0.277 9.996 1.00 0.00 N ATOM 587 CA MET A 60 7.186 -1.056 10.412 1.00 0.00 C ATOM 588 C MET A 60 8.329 -1.902 11.012 1.00 0.00 C ATOM 589 O MET A 60 9.386 -2.000 10.384 1.00 0.00 O ATOM 590 CB MET A 60 6.576 -1.775 9.196 1.00 0.00 C ATOM 591 CG MET A 60 5.273 -1.159 8.713 1.00 0.00 C ATOM 592 SD MET A 60 4.454 -2.127 7.389 1.00 0.00 S ATOM 593 CE MET A 60 5.819 -2.511 6.309 1.00 0.00 C ATOM 0 H MET A 60 8.573 0.234 9.483 1.00 0.00 H new ATOM 0 HA MET A 60 6.419 -0.924 11.175 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.298 -1.764 8.379 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.401 -2.820 9.453 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.590 -1.063 9.557 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.470 -0.152 8.347 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.442 -2.971 5.396 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.354 -1.595 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.497 -3.202 6.811 1.00 0.00 H new ATOM 595 N PRO A 61 8.128 -2.548 12.169 1.00 0.00 N ATOM 596 CA PRO A 61 9.149 -3.372 12.833 1.00 0.00 C ATOM 597 C PRO A 61 9.632 -4.530 11.953 1.00 0.00 C ATOM 598 O PRO A 61 8.875 -5.060 11.134 1.00 0.00 O ATOM 599 CB PRO A 61 8.486 -3.880 14.113 1.00 0.00 C ATOM 600 CG PRO A 61 6.995 -3.851 13.799 1.00 0.00 C ATOM 601 CD PRO A 61 6.852 -2.608 12.919 1.00 0.00 C ATOM 0 HA PRO A 61 10.047 -2.789 13.041 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.821 -4.887 14.362 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.726 -3.244 14.965 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.675 -4.753 13.278 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.393 -3.776 14.705 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.998 -2.692 12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.699 -1.711 13.518 1.00 0.00 H new ATOM 602 N ASN A 62 10.935 -4.816 12.086 1.00 0.00 N ATOM 603 CA ASN A 62 11.690 -5.862 11.351 1.00 0.00 C ATOM 604 C ASN A 62 11.878 -5.533 9.854 1.00 0.00 C ATOM 605 O ASN A 62 12.986 -5.236 9.423 1.00 0.00 O ATOM 606 CB ASN A 62 11.104 -7.270 11.545 1.00 0.00 C ATOM 607 CG ASN A 62 11.158 -7.714 13.018 1.00 0.00 C ATOM 608 OD1 ASN A 62 10.372 -7.306 13.846 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.132 -8.538 13.351 1.00 0.00 N ATOM 0 H ASN A 62 11.528 -4.304 12.739 1.00 0.00 H new ATOM 0 HA ASN A 62 12.683 -5.864 11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.071 -7.284 11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.656 -7.981 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.234 -8.843 14.319 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.784 -8.871 12.640 1.00 0.00 H new ATOM 613 N MET A 63 10.773 -5.485 9.121 1.00 0.00 N ATOM 614 CA MET A 63 10.774 -5.157 7.683 1.00 0.00 C ATOM 615 C MET A 63 9.857 -3.951 7.435 1.00 0.00 C ATOM 616 O MET A 63 8.635 -4.037 7.607 1.00 0.00 O ATOM 617 CB MET A 63 10.362 -6.391 6.863 1.00 0.00 C ATOM 618 CG MET A 63 10.510 -6.163 5.350 1.00 0.00 C ATOM 619 SD MET A 63 9.906 -7.530 4.296 1.00 0.00 S ATOM 620 CE MET A 63 11.188 -8.743 4.534 1.00 0.00 C ATOM 0 H MET A 63 9.844 -5.671 9.499 1.00 0.00 H new ATOM 0 HA MET A 63 11.777 -4.880 7.358 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.973 -7.243 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.327 -6.646 7.090 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.973 -5.253 5.081 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.563 -5.990 5.126 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.957 -9.635 3.952 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.143 -8.332 4.206 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.249 -9.005 5.590 1.00 0.00 H new ATOM 622 N ASP A 64 10.514 -2.803 7.382 1.00 0.00 N ATOM 623 CA ASP A 64 9.858 -1.497 7.118 1.00 0.00 C ATOM 624 C ASP A 64 9.319 -1.386 5.675 1.00 0.00 C ATOM 625 O ASP A 64 9.812 -2.083 4.779 1.00 0.00 O ATOM 626 CB ASP A 64 10.814 -0.346 7.443 1.00 0.00 C ATOM 627 CG ASP A 64 11.183 -0.288 8.931 1.00 0.00 C ATOM 628 OD1 ASP A 64 12.104 -1.040 9.319 1.00 0.00 O ATOM 629 OD2 ASP A 64 10.512 0.500 9.630 1.00 0.00 O ATOM 0 H ASP A 64 11.522 -2.733 7.519 1.00 0.00 H new ATOM 0 HA ASP A 64 8.991 -1.430 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.723 -0.455 6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.354 0.598 7.149 1.00 0.00 H new ATOM 631 N GLY A 65 8.494 -0.366 5.449 1.00 0.00 N ATOM 632 CA GLY A 65 7.811 -0.082 4.179 1.00 0.00 C ATOM 633 C GLY A 65 8.682 -0.141 2.913 1.00 0.00 C ATOM 634 O GLY A 65 8.418 -0.958 2.026 1.00 0.00 O ATOM 0 H GLY A 65 8.271 0.317 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.991 -0.791 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.367 0.911 4.243 1.00 0.00 H new ATOM 636 N LEU A 66 9.766 0.620 2.902 1.00 0.00 N ATOM 637 CA LEU A 66 10.694 0.692 1.758 1.00 0.00 C ATOM 638 C LEU A 66 11.273 -0.682 1.347 1.00 0.00 C ATOM 639 O LEU A 66 11.187 -1.069 0.178 1.00 0.00 O ATOM 640 CB LEU A 66 11.763 1.733 2.087 1.00 0.00 C ATOM 641 CG LEU A 66 12.727 1.962 0.929 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.050 2.467 -0.363 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.798 2.983 1.313 1.00 0.00 C ATOM 0 H LEU A 66 10.038 1.213 3.686 1.00 0.00 H new ATOM 0 HA LEU A 66 10.148 1.006 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.281 2.675 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.323 1.410 2.964 1.00 0.00 H new ATOM 0 HG LEU A 66 13.157 0.981 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.803 2.605 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.314 1.736 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.554 3.417 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.476 3.132 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.323 3.930 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.360 2.616 2.172 1.00 0.00 H new ATOM 645 N GLU A 67 11.776 -1.446 2.311 1.00 0.00 N ATOM 646 CA GLU A 67 12.301 -2.804 2.038 1.00 0.00 C ATOM 647 C GLU A 67 11.201 -3.804 1.634 1.00 0.00 C ATOM 648 O GLU A 67 11.427 -4.631 0.759 1.00 0.00 O ATOM 649 CB GLU A 67 13.263 -3.349 3.101 1.00 0.00 C ATOM 650 CG GLU A 67 12.763 -3.382 4.546 1.00 0.00 C ATOM 651 CD GLU A 67 13.017 -2.106 5.349 1.00 0.00 C ATOM 652 OE1 GLU A 67 12.678 -1.009 4.863 1.00 0.00 O ATOM 653 OE2 GLU A 67 13.405 -2.270 6.526 1.00 0.00 O ATOM 0 H GLU A 67 11.837 -1.161 3.288 1.00 0.00 H new ATOM 0 HA GLU A 67 12.932 -2.679 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.541 -4.364 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.173 -2.750 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.691 -3.581 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.239 -4.217 5.060 1.00 0.00 H new ATOM 655 N LEU A 68 10.007 -3.634 2.206 1.00 0.00 N ATOM 656 CA LEU A 68 8.821 -4.440 1.829 1.00 0.00 C ATOM 657 C LEU A 68 8.497 -4.238 0.337 1.00 0.00 C ATOM 658 O LEU A 68 8.315 -5.203 -0.411 1.00 0.00 O ATOM 659 CB LEU A 68 7.613 -4.088 2.718 1.00 0.00 C ATOM 660 CG LEU A 68 6.315 -4.781 2.254 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.399 -6.309 2.323 1.00 0.00 C ATOM 662 CD2 LEU A 68 5.127 -4.272 3.070 1.00 0.00 C ATOM 0 H LEU A 68 9.825 -2.945 2.936 1.00 0.00 H new ATOM 0 HA LEU A 68 9.048 -5.494 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.827 -4.377 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.466 -3.008 2.714 1.00 0.00 H new ATOM 0 HG LEU A 68 6.173 -4.524 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.457 -6.741 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.209 -6.658 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.591 -6.617 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.216 -4.768 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.291 -4.490 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.026 -3.195 2.933 1.00 0.00 H new ATOM 664 N LEU A 69 8.550 -2.982 -0.091 1.00 0.00 N ATOM 665 CA LEU A 69 8.365 -2.574 -1.486 1.00 0.00 C ATOM 666 C LEU A 69 9.331 -3.342 -2.417 1.00 0.00 C ATOM 667 O LEU A 69 8.871 -4.049 -3.318 1.00 0.00 O ATOM 668 CB LEU A 69 8.545 -1.049 -1.469 1.00 0.00 C ATOM 669 CG LEU A 69 8.871 -0.388 -2.812 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.774 -0.623 -3.853 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.100 1.103 -2.579 1.00 0.00 C ATOM 0 H LEU A 69 8.727 -2.197 0.535 1.00 0.00 H new ATOM 0 HA LEU A 69 7.384 -2.820 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.630 -0.601 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.342 -0.807 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 69 9.775 -0.842 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.050 -0.136 -4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.656 -1.693 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.834 -0.207 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.333 1.588 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.199 1.548 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.931 1.240 -1.887 1.00 0.00 H new ATOM 673 N LYS A 70 10.586 -3.446 -1.993 1.00 0.00 N ATOM 674 CA LYS A 70 11.639 -4.195 -2.723 1.00 0.00 C ATOM 675 C LYS A 70 11.323 -5.701 -2.796 1.00 0.00 C ATOM 676 O LYS A 70 11.386 -6.279 -3.879 1.00 0.00 O ATOM 677 CB LYS A 70 13.000 -3.958 -2.070 1.00 0.00 C ATOM 678 CG LYS A 70 13.420 -2.496 -2.179 1.00 0.00 C ATOM 679 CD LYS A 70 14.674 -2.234 -1.340 1.00 0.00 C ATOM 680 CE LYS A 70 15.044 -0.750 -1.384 1.00 0.00 C ATOM 681 NZ LYS A 70 16.202 -0.537 -0.501 1.00 0.00 N ATOM 0 H LYS A 70 10.918 -3.016 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 70 11.667 -3.822 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.958 -4.249 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.749 -4.590 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.614 -2.244 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.608 -1.852 -1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.500 -2.542 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.503 -2.833 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.283 -0.448 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.202 -0.139 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.470 0.468 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.954 -0.814 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.002 -1.114 -0.832 1.00 0.00 H new ATOM 686 N THR A 71 10.873 -6.286 -1.677 1.00 0.00 N ATOM 687 CA THR A 71 10.474 -7.727 -1.596 1.00 0.00 C ATOM 688 C THR A 71 9.342 -8.071 -2.591 1.00 0.00 C ATOM 689 O THR A 71 9.322 -9.157 -3.155 1.00 0.00 O ATOM 690 CB THR A 71 10.262 -8.201 -0.171 1.00 0.00 C ATOM 691 OG1 THR A 71 9.379 -7.378 0.593 1.00 0.00 O ATOM 692 CG2 THR A 71 11.602 -8.350 0.547 1.00 0.00 C ATOM 0 H THR A 71 10.770 -5.786 -0.794 1.00 0.00 H new ATOM 0 HA THR A 71 11.321 -8.324 -1.934 1.00 0.00 H new ATOM 0 HB THR A 71 9.773 -9.172 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.905 -6.763 -0.005 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.432 -8.691 1.568 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.218 -9.078 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.113 -7.388 0.566 1.00 0.00 H new ATOM 695 N ILE A 72 8.496 -7.072 -2.882 1.00 0.00 N ATOM 696 CA ILE A 72 7.382 -7.164 -3.845 1.00 0.00 C ATOM 697 C ILE A 72 7.935 -7.002 -5.280 1.00 0.00 C ATOM 698 O ILE A 72 7.896 -7.938 -6.076 1.00 0.00 O ATOM 699 CB ILE A 72 6.298 -6.110 -3.506 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.751 -6.338 -2.089 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.154 -6.105 -4.523 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.099 -5.097 -1.478 1.00 0.00 C ATOM 0 H ILE A 72 8.567 -6.153 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 72 6.905 -8.142 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 72 6.777 -5.132 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.020 -7.146 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.565 -6.666 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.420 -5.350 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.548 -5.877 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.678 -7.085 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.736 -5.332 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.832 -4.293 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.263 -4.780 -2.102 1.00 0.00 H new ATOM 704 N ARG A 73 8.621 -5.874 -5.508 1.00 0.00 N ATOM 705 CA ARG A 73 9.241 -5.487 -6.801 1.00 0.00 C ATOM 706 C ARG A 73 10.193 -6.551 -7.386 1.00 0.00 C ATOM 707 O ARG A 73 10.045 -6.947 -8.544 1.00 0.00 O ATOM 708 CB ARG A 73 9.913 -4.123 -6.701 1.00 0.00 C ATOM 709 CG ARG A 73 8.868 -3.005 -6.575 1.00 0.00 C ATOM 710 CD ARG A 73 7.980 -2.913 -7.821 1.00 0.00 C ATOM 711 NE ARG A 73 6.838 -1.998 -7.601 1.00 0.00 N ATOM 712 CZ ARG A 73 5.604 -2.339 -7.226 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.288 -3.561 -6.828 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.672 -1.408 -7.163 1.00 0.00 N ATOM 0 H ARG A 73 8.770 -5.176 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 73 8.420 -5.416 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.578 -4.103 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.530 -3.952 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.246 -3.186 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.373 -2.052 -6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.572 -2.563 -8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.609 -3.905 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 73 7.012 -1.004 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.002 -4.289 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.330 -3.775 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.899 -0.442 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.724 -1.654 -6.878 1.00 0.00 H new ATOM 721 N ALA A 74 11.083 -7.070 -6.544 1.00 0.00 N ATOM 722 CA ALA A 74 12.073 -8.116 -6.912 1.00 0.00 C ATOM 723 C ALA A 74 11.428 -9.438 -7.383 1.00 0.00 C ATOM 724 O ALA A 74 12.015 -10.205 -8.146 1.00 0.00 O ATOM 725 CB ALA A 74 12.994 -8.382 -5.731 1.00 0.00 C ATOM 0 H ALA A 74 11.149 -6.781 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 74 12.637 -7.730 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.720 -9.149 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.518 -7.464 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.405 -8.724 -4.880 1.00 0.00 H new ATOM 727 N ASP A 75 10.210 -9.689 -6.913 1.00 0.00 N ATOM 728 CA ASP A 75 9.420 -10.879 -7.255 1.00 0.00 C ATOM 729 C ASP A 75 8.668 -10.614 -8.563 1.00 0.00 C ATOM 730 O ASP A 75 7.708 -9.841 -8.590 1.00 0.00 O ATOM 731 CB ASP A 75 8.462 -11.182 -6.104 1.00 0.00 C ATOM 732 CG ASP A 75 7.581 -12.406 -6.375 1.00 0.00 C ATOM 733 OD1 ASP A 75 6.646 -12.269 -7.200 1.00 0.00 O ATOM 734 OD2 ASP A 75 7.920 -13.482 -5.842 1.00 0.00 O ATOM 0 H ASP A 75 9.729 -9.060 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 75 10.062 -11.748 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.036 -11.347 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.827 -10.314 -5.927 1.00 0.00 H new ATOM 736 N GLY A 76 9.127 -11.279 -9.624 1.00 0.00 N ATOM 737 CA GLY A 76 8.565 -11.231 -10.991 1.00 0.00 C ATOM 738 C GLY A 76 7.053 -10.951 -11.062 1.00 0.00 C ATOM 739 O GLY A 76 6.639 -9.888 -11.520 1.00 0.00 O ATOM 0 H GLY A 76 9.937 -11.896 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.089 -10.461 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.767 -12.182 -11.485 1.00 0.00 H new ATOM 741 N ALA A 77 6.263 -11.854 -10.480 1.00 0.00 N ATOM 742 CA ALA A 77 4.795 -11.744 -10.444 1.00 0.00 C ATOM 743 C ALA A 77 4.262 -10.517 -9.662 1.00 0.00 C ATOM 744 O ALA A 77 3.525 -9.714 -10.219 1.00 0.00 O ATOM 745 CB ALA A 77 4.211 -13.041 -9.860 1.00 0.00 C ATOM 0 H ALA A 77 6.621 -12.689 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 77 4.468 -11.593 -11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.124 -12.969 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.501 -13.885 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.593 -13.190 -8.850 1.00 0.00 H new ATOM 747 N MET A 78 4.798 -10.317 -8.461 1.00 0.00 N ATOM 748 CA MET A 78 4.400 -9.202 -7.575 1.00 0.00 C ATOM 749 C MET A 78 4.783 -7.787 -8.039 1.00 0.00 C ATOM 750 O MET A 78 4.154 -6.817 -7.616 1.00 0.00 O ATOM 751 CB MET A 78 4.846 -9.432 -6.127 1.00 0.00 C ATOM 752 CG MET A 78 4.055 -10.565 -5.461 1.00 0.00 C ATOM 753 SD MET A 78 4.012 -10.463 -3.624 1.00 0.00 S ATOM 754 CE MET A 78 5.714 -10.804 -3.210 1.00 0.00 C ATOM 0 H MET A 78 5.521 -10.918 -8.065 1.00 0.00 H new ATOM 0 HA MET A 78 3.312 -9.224 -7.634 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.909 -9.671 -6.108 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.715 -8.513 -5.556 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.033 -10.553 -5.840 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.492 -11.520 -5.752 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.773 -11.742 -2.658 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.302 -10.883 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.108 -9.995 -2.595 1.00 0.00 H new ATOM 756 N SER A 79 5.787 -7.689 -8.901 1.00 0.00 N ATOM 757 CA SER A 79 6.276 -6.410 -9.489 1.00 0.00 C ATOM 758 C SER A 79 5.168 -5.472 -10.018 1.00 0.00 C ATOM 759 O SER A 79 5.298 -4.259 -9.956 1.00 0.00 O ATOM 760 CB SER A 79 7.269 -6.666 -10.622 1.00 0.00 C ATOM 761 OG SER A 79 6.617 -7.277 -11.749 1.00 0.00 O ATOM 0 H SER A 79 6.307 -8.503 -9.229 1.00 0.00 H new ATOM 0 HA SER A 79 6.756 -5.902 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.728 -5.726 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.072 -7.312 -10.268 1.00 0.00 H new ATOM 0 HG SER A 79 6.786 -8.242 -11.741 1.00 0.00 H new ATOM 764 N ALA A 80 4.120 -6.078 -10.576 1.00 0.00 N ATOM 765 CA ALA A 80 2.948 -5.364 -11.136 1.00 0.00 C ATOM 766 C ALA A 80 1.899 -4.894 -10.107 1.00 0.00 C ATOM 767 O ALA A 80 1.061 -4.058 -10.431 1.00 0.00 O ATOM 768 CB ALA A 80 2.293 -6.269 -12.188 1.00 0.00 C ATOM 0 H ALA A 80 4.050 -7.092 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 80 3.329 -4.439 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.427 -5.763 -12.614 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.011 -6.487 -12.978 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.975 -7.200 -11.720 1.00 0.00 H new ATOM 770 N LEU A 81 1.998 -5.395 -8.877 1.00 0.00 N ATOM 771 CA LEU A 81 1.043 -5.062 -7.794 1.00 0.00 C ATOM 772 C LEU A 81 1.356 -3.689 -7.172 1.00 0.00 C ATOM 773 O LEU A 81 2.359 -3.541 -6.471 1.00 0.00 O ATOM 774 CB LEU A 81 0.991 -6.150 -6.710 1.00 0.00 C ATOM 775 CG LEU A 81 0.611 -7.541 -7.268 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.715 -8.574 -6.154 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.792 -7.570 -7.892 1.00 0.00 C ATOM 0 H LEU A 81 2.735 -6.041 -8.593 1.00 0.00 H new ATOM 0 HA LEU A 81 0.056 -5.012 -8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.963 -6.214 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.268 -5.861 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 81 1.311 -7.777 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.448 -9.557 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.737 -8.599 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.035 -8.307 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.003 -8.572 -8.266 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.531 -7.301 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.839 -6.858 -8.716 1.00 0.00 H new ATOM 779 N PRO A 82 0.466 -2.697 -7.384 1.00 0.00 N ATOM 780 CA PRO A 82 0.643 -1.318 -6.887 1.00 0.00 C ATOM 781 C PRO A 82 0.965 -1.180 -5.397 1.00 0.00 C ATOM 782 O PRO A 82 0.297 -1.744 -4.537 1.00 0.00 O ATOM 783 CB PRO A 82 -0.644 -0.582 -7.229 1.00 0.00 C ATOM 784 CG PRO A 82 -1.652 -1.668 -7.579 1.00 0.00 C ATOM 785 CD PRO A 82 -0.811 -2.818 -8.112 1.00 0.00 C ATOM 0 HA PRO A 82 1.526 -0.897 -7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.989 0.017 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.496 0.100 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.228 -1.971 -6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.366 -1.320 -8.326 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.287 -3.780 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.665 -2.739 -9.189 1.00 0.00 H new ATOM 786 N VAL A 83 1.925 -0.295 -5.157 1.00 0.00 N ATOM 787 CA VAL A 83 2.426 0.006 -3.795 1.00 0.00 C ATOM 788 C VAL A 83 2.240 1.480 -3.408 1.00 0.00 C ATOM 789 O VAL A 83 2.848 2.383 -3.973 1.00 0.00 O ATOM 790 CB VAL A 83 3.895 -0.439 -3.657 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.478 -0.147 -2.275 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.062 -1.948 -3.881 1.00 0.00 C ATOM 0 H VAL A 83 2.387 0.241 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 83 1.823 -0.566 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 83 4.422 0.135 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.514 -0.483 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.437 0.925 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.899 -0.675 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.113 -2.218 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.471 -2.493 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.721 -2.207 -4.883 1.00 0.00 H new ATOM 794 N LEU A 84 1.534 1.637 -2.287 1.00 0.00 N ATOM 795 CA LEU A 84 1.262 2.945 -1.671 1.00 0.00 C ATOM 796 C LEU A 84 2.024 3.005 -0.333 1.00 0.00 C ATOM 797 O LEU A 84 1.751 2.262 0.606 1.00 0.00 O ATOM 798 CB LEU A 84 -0.244 3.083 -1.377 1.00 0.00 C ATOM 799 CG LEU A 84 -0.804 4.504 -1.419 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.056 5.523 -0.546 1.00 0.00 C ATOM 801 CD2 LEU A 84 -0.902 5.023 -2.858 1.00 0.00 C ATOM 0 H LEU A 84 1.129 0.854 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 84 1.575 3.744 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.792 2.476 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.442 2.664 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.800 4.413 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.528 6.501 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.091 5.205 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.982 5.587 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.304 6.036 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.089 5.028 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.561 4.374 -3.435 1.00 0.00 H new ATOM 803 N MET A 85 3.041 3.849 -0.340 1.00 0.00 N ATOM 804 CA MET A 85 3.910 4.088 0.847 1.00 0.00 C ATOM 805 C MET A 85 3.322 5.139 1.783 1.00 0.00 C ATOM 806 O MET A 85 3.322 6.336 1.527 1.00 0.00 O ATOM 807 CB MET A 85 5.316 4.437 0.342 1.00 0.00 C ATOM 808 CG MET A 85 6.074 3.220 -0.176 1.00 0.00 C ATOM 809 SD MET A 85 6.722 2.126 1.148 1.00 0.00 S ATOM 810 CE MET A 85 5.665 0.704 0.981 1.00 0.00 C ATOM 0 H MET A 85 3.305 4.398 -1.158 1.00 0.00 H new ATOM 0 HA MET A 85 3.972 3.187 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.238 5.177 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.884 4.897 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.413 2.641 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.906 3.559 -0.793 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.907 -0.023 1.757 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.624 1.010 1.083 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.815 0.252 0.001 1.00 0.00 H new ATOM 812 N VAL A 86 2.795 4.638 2.898 1.00 0.00 N ATOM 813 CA VAL A 86 2.205 5.503 3.931 1.00 0.00 C ATOM 814 C VAL A 86 3.327 5.872 4.892 1.00 0.00 C ATOM 815 O VAL A 86 3.697 5.140 5.808 1.00 0.00 O ATOM 816 CB VAL A 86 1.016 4.894 4.689 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.225 6.043 5.297 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.053 4.119 3.781 1.00 0.00 C ATOM 0 H VAL A 86 2.762 3.642 3.114 1.00 0.00 H new ATOM 0 HA VAL A 86 1.778 6.375 3.435 1.00 0.00 H new ATOM 0 HB VAL A 86 1.418 4.199 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.630 5.646 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.864 6.604 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.127 6.703 4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.764 3.715 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.350 4.789 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.588 3.302 3.297 1.00 0.00 H new ATOM 820 N THR A 87 3.760 7.109 4.700 1.00 0.00 N ATOM 821 CA THR A 87 4.911 7.680 5.414 1.00 0.00 C ATOM 822 C THR A 87 4.580 8.704 6.503 1.00 0.00 C ATOM 823 O THR A 87 3.635 9.489 6.399 1.00 0.00 O ATOM 824 CB THR A 87 5.984 8.186 4.424 1.00 0.00 C ATOM 825 OG1 THR A 87 6.908 9.078 5.069 1.00 0.00 O ATOM 826 CG2 THR A 87 5.446 8.746 3.102 1.00 0.00 C ATOM 0 H THR A 87 3.325 7.756 4.042 1.00 0.00 H new ATOM 0 HA THR A 87 5.328 6.848 5.982 1.00 0.00 H new ATOM 0 HB THR A 87 6.529 7.294 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.512 9.463 4.400 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.279 9.073 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.886 7.971 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.790 9.593 3.305 1.00 0.00 H new ATOM 829 N ALA A 88 5.319 8.552 7.606 1.00 0.00 N ATOM 830 CA ALA A 88 5.248 9.431 8.788 1.00 0.00 C ATOM 831 C ALA A 88 5.688 10.883 8.493 1.00 0.00 C ATOM 832 O ALA A 88 5.241 11.805 9.166 1.00 0.00 O ATOM 833 CB ALA A 88 6.115 8.839 9.904 1.00 0.00 C ATOM 0 H ALA A 88 6.000 7.799 7.709 1.00 0.00 H new ATOM 0 HA ALA A 88 4.203 9.481 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.068 9.483 10.782 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.747 7.846 10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.148 8.766 9.563 1.00 0.00 H new ATOM 835 N GLU A 89 6.565 11.036 7.506 1.00 0.00 N ATOM 836 CA GLU A 89 7.071 12.360 7.092 1.00 0.00 C ATOM 837 C GLU A 89 7.463 12.338 5.601 1.00 0.00 C ATOM 838 O GLU A 89 8.430 11.702 5.201 1.00 0.00 O ATOM 839 CB GLU A 89 8.284 12.802 7.924 1.00 0.00 C ATOM 840 CG GLU A 89 8.443 14.322 7.852 1.00 0.00 C ATOM 841 CD GLU A 89 9.861 14.786 8.198 1.00 0.00 C ATOM 842 OE1 GLU A 89 10.188 14.834 9.406 1.00 0.00 O ATOM 843 OE2 GLU A 89 10.585 15.093 7.234 1.00 0.00 O ATOM 0 H GLU A 89 6.948 10.259 6.968 1.00 0.00 H new ATOM 0 HA GLU A 89 6.266 13.075 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.157 12.490 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.186 12.316 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.189 14.662 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.735 14.790 8.536 1.00 0.00 H new ATOM 845 N ALA A 90 6.667 13.062 4.820 1.00 0.00 N ATOM 846 CA ALA A 90 6.875 13.188 3.358 1.00 0.00 C ATOM 847 C ALA A 90 8.000 14.192 3.059 1.00 0.00 C ATOM 848 O ALA A 90 7.803 15.412 3.013 1.00 0.00 O ATOM 849 CB ALA A 90 5.563 13.581 2.693 1.00 0.00 C ATOM 0 H ALA A 90 5.860 13.580 5.168 1.00 0.00 H new ATOM 0 HA ALA A 90 7.189 12.229 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.714 13.674 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.812 12.816 2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.222 14.535 3.096 1.00 0.00 H new ATOM 851 N LYS A 91 9.214 13.656 3.067 1.00 0.00 N ATOM 852 CA LYS A 91 10.452 14.411 2.798 1.00 0.00 C ATOM 853 C LYS A 91 11.177 13.855 1.565 1.00 0.00 C ATOM 854 O LYS A 91 11.140 12.650 1.313 1.00 0.00 O ATOM 855 CB LYS A 91 11.353 14.336 4.039 1.00 0.00 C ATOM 856 CG LYS A 91 12.538 15.313 3.952 1.00 0.00 C ATOM 857 CD LYS A 91 13.311 15.396 5.264 1.00 0.00 C ATOM 858 CE LYS A 91 14.448 16.421 5.123 1.00 0.00 C ATOM 859 NZ LYS A 91 15.023 16.711 6.435 1.00 0.00 N ATOM 0 H LYS A 91 9.379 12.669 3.263 1.00 0.00 H new ATOM 0 HA LYS A 91 10.204 15.451 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.764 14.559 4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.729 13.319 4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.211 14.996 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.171 16.304 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.643 15.687 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.718 14.418 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.218 16.033 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.069 17.338 4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.791 17.405 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.287 17.100 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.401 15.835 6.850 1.00 0.00 H new ATOM 864 N LYS A 92 11.845 14.744 0.829 1.00 0.00 N ATOM 865 CA LYS A 92 12.615 14.431 -0.395 1.00 0.00 C ATOM 866 C LYS A 92 13.308 13.066 -0.434 1.00 0.00 C ATOM 867 O LYS A 92 12.946 12.235 -1.264 1.00 0.00 O ATOM 868 CB LYS A 92 13.628 15.547 -0.688 1.00 0.00 C ATOM 869 CG LYS A 92 12.960 16.781 -1.306 1.00 0.00 C ATOM 870 CD LYS A 92 12.391 16.454 -2.694 1.00 0.00 C ATOM 871 CE LYS A 92 11.677 17.654 -3.309 1.00 0.00 C ATOM 872 NZ LYS A 92 11.080 17.211 -4.578 1.00 0.00 N ATOM 0 H LYS A 92 11.872 15.735 1.068 1.00 0.00 H new ATOM 0 HA LYS A 92 11.858 14.371 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.131 15.832 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.395 15.172 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.161 17.133 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.685 17.591 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.199 16.135 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.696 15.618 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.908 18.030 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.378 18.471 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.584 18.008 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.829 16.869 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.405 16.442 -4.394 1.00 0.00 H new ATOM 877 N GLU A 93 14.146 12.785 0.567 1.00 0.00 N ATOM 878 CA GLU A 93 14.872 11.501 0.692 1.00 0.00 C ATOM 879 C GLU A 93 13.923 10.280 0.626 1.00 0.00 C ATOM 880 O GLU A 93 14.073 9.424 -0.242 1.00 0.00 O ATOM 881 CB GLU A 93 15.682 11.506 2.003 1.00 0.00 C ATOM 882 CG GLU A 93 16.652 10.321 2.136 1.00 0.00 C ATOM 883 CD GLU A 93 17.710 10.298 1.032 1.00 0.00 C ATOM 884 OE1 GLU A 93 18.549 11.224 1.036 1.00 0.00 O ATOM 885 OE2 GLU A 93 17.628 9.380 0.189 1.00 0.00 O ATOM 0 H GLU A 93 14.347 13.440 1.322 1.00 0.00 H new ATOM 0 HA GLU A 93 15.550 11.405 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.248 12.436 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.991 11.495 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.146 10.368 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.087 9.389 2.111 1.00 0.00 H new ATOM 887 N ASN A 94 12.861 10.354 1.433 1.00 0.00 N ATOM 888 CA ASN A 94 11.791 9.339 1.521 1.00 0.00 C ATOM 889 C ASN A 94 11.080 9.174 0.164 1.00 0.00 C ATOM 890 O ASN A 94 10.990 8.059 -0.343 1.00 0.00 O ATOM 891 CB ASN A 94 10.850 9.773 2.654 1.00 0.00 C ATOM 892 CG ASN A 94 9.394 9.299 2.625 1.00 0.00 C ATOM 893 OD1 ASN A 94 8.480 10.022 2.991 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.120 8.098 2.170 1.00 0.00 N ATOM 0 H ASN A 94 12.711 11.142 2.064 1.00 0.00 H new ATOM 0 HA ASN A 94 12.192 8.352 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.288 9.437 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.842 10.863 2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.153 7.778 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.875 7.485 1.861 1.00 0.00 H new ATOM 898 N ILE A 95 10.694 10.299 -0.422 1.00 0.00 N ATOM 899 CA ILE A 95 9.989 10.363 -1.720 1.00 0.00 C ATOM 900 C ILE A 95 10.821 9.709 -2.847 1.00 0.00 C ATOM 901 O ILE A 95 10.376 8.731 -3.453 1.00 0.00 O ATOM 902 CB ILE A 95 9.648 11.845 -2.000 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.700 12.383 -0.916 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.061 12.064 -3.405 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.579 13.913 -0.856 1.00 0.00 C ATOM 0 H ILE A 95 10.860 11.217 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 95 9.063 9.789 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 95 10.583 12.405 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.708 11.962 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.041 12.023 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.841 13.122 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.782 11.740 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.143 11.485 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.888 14.192 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.558 14.348 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.204 14.286 -1.809 1.00 0.00 H new ATOM 907 N ILE A 96 12.071 10.161 -2.979 1.00 0.00 N ATOM 908 CA ILE A 96 13.047 9.658 -3.971 1.00 0.00 C ATOM 909 C ILE A 96 13.221 8.131 -3.833 1.00 0.00 C ATOM 910 O ILE A 96 12.854 7.378 -4.738 1.00 0.00 O ATOM 911 CB ILE A 96 14.362 10.453 -3.795 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.139 11.908 -4.262 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.573 9.829 -4.501 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.164 12.901 -3.702 1.00 0.00 C ATOM 0 H ILE A 96 12.449 10.903 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 96 12.693 9.816 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 96 14.611 10.427 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.174 11.940 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.139 12.226 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.454 10.448 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.749 8.829 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.378 9.767 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.942 13.901 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.115 12.900 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.165 12.609 -4.020 1.00 0.00 H new ATOM 916 N ALA A 97 13.548 7.717 -2.611 1.00 0.00 N ATOM 917 CA ALA A 97 13.746 6.297 -2.239 1.00 0.00 C ATOM 918 C ALA A 97 12.540 5.417 -2.589 1.00 0.00 C ATOM 919 O ALA A 97 12.684 4.436 -3.320 1.00 0.00 O ATOM 920 CB ALA A 97 14.070 6.208 -0.749 1.00 0.00 C ATOM 0 H ALA A 97 13.688 8.360 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 97 14.581 5.912 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.217 5.165 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.980 6.771 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.245 6.625 -0.172 1.00 0.00 H new ATOM 922 N ALA A 98 11.347 5.893 -2.229 1.00 0.00 N ATOM 923 CA ALA A 98 10.074 5.210 -2.482 1.00 0.00 C ATOM 924 C ALA A 98 9.813 4.967 -3.982 1.00 0.00 C ATOM 925 O ALA A 98 9.826 3.818 -4.426 1.00 0.00 O ATOM 926 CB ALA A 98 8.940 6.024 -1.845 1.00 0.00 C ATOM 0 H ALA A 98 11.235 6.783 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 98 10.122 4.220 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.988 5.526 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.108 6.104 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.917 7.021 -2.284 1.00 0.00 H new ATOM 928 N ALA A 99 9.797 6.056 -4.759 1.00 0.00 N ATOM 929 CA ALA A 99 9.557 6.015 -6.217 1.00 0.00 C ATOM 930 C ALA A 99 10.575 5.135 -6.959 1.00 0.00 C ATOM 931 O ALA A 99 10.197 4.127 -7.558 1.00 0.00 O ATOM 932 CB ALA A 99 9.566 7.449 -6.764 1.00 0.00 C ATOM 0 H ALA A 99 9.950 6.998 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 99 8.582 5.558 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.390 7.429 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.781 8.029 -6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.534 7.909 -6.563 1.00 0.00 H new ATOM 934 N GLN A 100 11.854 5.361 -6.662 1.00 0.00 N ATOM 935 CA GLN A 100 12.972 4.625 -7.281 1.00 0.00 C ATOM 936 C GLN A 100 13.051 3.133 -6.951 1.00 0.00 C ATOM 937 O GLN A 100 13.581 2.357 -7.746 1.00 0.00 O ATOM 938 CB GLN A 100 14.280 5.379 -7.015 1.00 0.00 C ATOM 939 CG GLN A 100 14.336 6.548 -8.003 1.00 0.00 C ATOM 940 CD GLN A 100 15.302 7.659 -7.610 1.00 0.00 C ATOM 941 OE1 GLN A 100 14.903 8.772 -7.278 1.00 0.00 O ATOM 942 NE2 GLN A 100 16.585 7.447 -7.776 1.00 0.00 N ATOM 0 H GLN A 100 12.152 6.061 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 100 12.777 4.604 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.313 5.741 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.138 4.720 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.620 6.166 -8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.336 6.971 -8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.918 6.523 -8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.250 8.206 -7.629 1.00 0.00 H new ATOM 946 N ALA A 101 12.495 2.736 -5.800 1.00 0.00 N ATOM 947 CA ALA A 101 12.444 1.323 -5.384 1.00 0.00 C ATOM 948 C ALA A 101 11.182 0.581 -5.906 1.00 0.00 C ATOM 949 O ALA A 101 10.997 -0.597 -5.597 1.00 0.00 O ATOM 950 CB ALA A 101 12.538 1.245 -3.862 1.00 0.00 C ATOM 0 H ALA A 101 12.069 3.378 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 101 13.295 0.812 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.501 0.202 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.477 1.690 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.704 1.788 -3.418 1.00 0.00 H new ATOM 952 N GLY A 102 10.344 1.284 -6.667 1.00 0.00 N ATOM 953 CA GLY A 102 9.116 0.735 -7.281 1.00 0.00 C ATOM 954 C GLY A 102 7.770 1.297 -6.771 1.00 0.00 C ATOM 955 O GLY A 102 6.737 0.955 -7.339 1.00 0.00 O ATOM 0 H GLY A 102 10.494 2.269 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.169 0.904 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.113 -0.344 -7.128 1.00 0.00 H new ATOM 957 N ALA A 103 7.771 2.162 -5.751 1.00 0.00 N ATOM 958 CA ALA A 103 6.511 2.711 -5.189 1.00 0.00 C ATOM 959 C ALA A 103 5.682 3.552 -6.173 1.00 0.00 C ATOM 960 O ALA A 103 6.046 4.650 -6.585 1.00 0.00 O ATOM 961 CB ALA A 103 6.723 3.507 -3.900 1.00 0.00 C ATOM 0 H ALA A 103 8.618 2.501 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 103 5.935 1.814 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.764 3.881 -3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.167 2.861 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.389 4.347 -4.097 1.00 0.00 H new ATOM 963 N SER A 104 4.475 3.019 -6.351 1.00 0.00 N ATOM 964 CA SER A 104 3.427 3.587 -7.221 1.00 0.00 C ATOM 965 C SER A 104 2.934 4.966 -6.771 1.00 0.00 C ATOM 966 O SER A 104 2.409 5.735 -7.579 1.00 0.00 O ATOM 967 CB SER A 104 2.240 2.617 -7.248 1.00 0.00 C ATOM 968 OG SER A 104 2.688 1.297 -7.548 1.00 0.00 O ATOM 0 H SER A 104 4.184 2.159 -5.886 1.00 0.00 H new ATOM 0 HA SER A 104 3.867 3.721 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.732 2.626 -6.284 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.514 2.940 -7.994 1.00 0.00 H new ATOM 0 HG SER A 104 2.255 0.983 -8.369 1.00 0.00 H new ATOM 971 N GLY A 105 2.978 5.194 -5.453 1.00 0.00 N ATOM 972 CA GLY A 105 2.568 6.457 -4.809 1.00 0.00 C ATOM 973 C GLY A 105 2.873 6.425 -3.306 1.00 0.00 C ATOM 974 O GLY A 105 3.229 5.381 -2.750 1.00 0.00 O ATOM 0 H GLY A 105 3.306 4.494 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.090 7.294 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.502 6.621 -4.965 1.00 0.00 H new ATOM 976 N TYR A 106 2.790 7.598 -2.702 1.00 0.00 N ATOM 977 CA TYR A 106 3.039 7.749 -1.255 1.00 0.00 C ATOM 978 C TYR A 106 2.096 8.773 -0.612 1.00 0.00 C ATOM 979 O TYR A 106 1.866 9.839 -1.169 1.00 0.00 O ATOM 980 CB TYR A 106 4.513 8.101 -0.958 1.00 0.00 C ATOM 981 CG TYR A 106 4.903 9.561 -1.247 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.245 9.946 -2.560 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.758 10.513 -0.213 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.421 11.303 -2.861 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.937 11.881 -0.505 1.00 0.00 C ATOM 986 CZ TYR A 106 5.256 12.258 -1.824 1.00 0.00 C ATOM 987 OH TYR A 106 5.459 13.575 -2.100 1.00 0.00 O ATOM 0 H TYR A 106 2.553 8.467 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 106 2.830 6.779 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.718 7.887 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.154 7.446 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.371 9.199 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.513 10.196 0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.677 11.616 -3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.831 12.627 0.269 1.00 0.00 H new ATOM 0 HH TYR A 106 5.307 14.106 -1.290 1.00 0.00 H new ATOM 990 N VAL A 107 1.605 8.427 0.582 1.00 0.00 N ATOM 991 CA VAL A 107 0.716 9.333 1.342 1.00 0.00 C ATOM 992 C VAL A 107 1.175 9.515 2.793 1.00 0.00 C ATOM 993 O VAL A 107 1.674 8.590 3.429 1.00 0.00 O ATOM 994 CB VAL A 107 -0.763 8.927 1.179 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.202 7.743 2.060 1.00 0.00 C ATOM 996 CG2 VAL A 107 -1.664 10.134 1.442 1.00 0.00 C ATOM 0 H VAL A 107 1.800 7.539 1.045 1.00 0.00 H new ATOM 0 HA VAL A 107 0.793 10.331 0.910 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.865 8.583 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.255 7.527 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.604 6.865 1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.058 7.998 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.707 9.841 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.500 10.496 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.428 10.926 0.731 1.00 0.00 H new ATOM 998 N VAL A 108 1.228 10.785 3.174 1.00 0.00 N ATOM 999 CA VAL A 108 1.593 11.172 4.549 1.00 0.00 C ATOM 1000 C VAL A 108 0.391 11.000 5.505 1.00 0.00 C ATOM 1001 O VAL A 108 -0.756 11.267 5.148 1.00 0.00 O ATOM 1002 CB VAL A 108 2.231 12.575 4.564 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.262 13.703 4.154 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.876 12.893 5.912 1.00 0.00 C ATOM 0 H VAL A 108 1.024 11.571 2.557 1.00 0.00 H new ATOM 0 HA VAL A 108 2.360 10.499 4.931 1.00 0.00 H new ATOM 0 HB VAL A 108 3.010 12.538 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.782 14.660 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.901 13.522 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.417 13.725 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.314 13.891 5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.119 12.854 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.656 12.161 6.124 1.00 0.00 H new ATOM 1006 N LYS A 109 0.689 10.409 6.652 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.311 10.154 7.707 1.00 0.00 C ATOM 1008 C LYS A 109 -0.502 11.380 8.635 1.00 0.00 C ATOM 1009 O LYS A 109 0.490 12.056 8.941 1.00 0.00 O ATOM 1010 CB LYS A 109 0.034 8.864 8.464 1.00 0.00 C ATOM 1011 CG LYS A 109 1.337 8.914 9.263 1.00 0.00 C ATOM 1012 CD LYS A 109 1.669 7.613 10.004 1.00 0.00 C ATOM 1013 CE LYS A 109 2.379 6.568 9.142 1.00 0.00 C ATOM 1014 NZ LYS A 109 1.440 5.856 8.260 1.00 0.00 N ATOM 0 H LYS A 109 1.628 10.088 6.889 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.282 10.000 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.784 8.630 9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.096 8.045 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.157 9.153 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.275 9.726 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.297 7.847 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.746 7.182 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.146 7.055 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.888 5.851 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.885 5.699 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.192 4.940 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.579 6.426 8.138 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.750 11.728 8.986 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.999 11.065 8.551 1.00 0.00 C ATOM 1021 C PRO A 110 -3.538 11.623 7.219 1.00 0.00 C ATOM 1022 O PRO A 110 -3.360 12.784 6.873 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.981 11.321 9.692 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.546 12.681 10.238 1.00 0.00 C ATOM 1025 CD PRO A 110 -2.033 12.665 10.095 1.00 0.00 C ATOM 0 HA PRO A 110 -2.838 10.004 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.012 11.342 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.922 10.545 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.992 13.500 9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.848 12.809 11.277 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.649 13.661 9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.555 12.336 11.018 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.270 10.745 6.533 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.907 11.016 5.238 1.00 0.00 C ATOM 1028 C PHE A 111 -6.371 10.561 5.298 1.00 0.00 C ATOM 1029 O PHE A 111 -6.693 9.586 5.980 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.143 10.346 4.082 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.053 8.825 4.190 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.108 8.246 5.077 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.970 8.021 3.476 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.126 6.856 5.288 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.971 6.625 3.666 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.059 6.060 4.596 1.00 0.00 C ATOM 0 H PHE A 111 -4.443 9.798 6.870 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.879 12.087 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.630 10.604 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.134 10.757 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.383 8.866 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.667 8.475 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.429 6.402 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.653 5.996 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.081 4.995 4.777 1.00 0.00 H new ATOM 1038 N THR A 112 -7.216 11.232 4.524 1.00 0.00 N ATOM 1039 CA THR A 112 -8.671 10.935 4.502 1.00 0.00 C ATOM 1040 C THR A 112 -9.068 10.106 3.265 1.00 0.00 C ATOM 1041 O THR A 112 -8.289 9.955 2.328 1.00 0.00 O ATOM 1042 CB THR A 112 -9.487 12.229 4.654 1.00 0.00 C ATOM 1043 OG1 THR A 112 -10.873 11.903 4.843 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.338 13.223 3.491 1.00 0.00 C ATOM 0 H THR A 112 -6.934 11.987 3.899 1.00 0.00 H new ATOM 0 HA THR A 112 -8.909 10.307 5.361 1.00 0.00 H new ATOM 0 HB THR A 112 -9.080 12.738 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.393 12.728 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.949 14.105 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.293 13.519 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.666 12.751 2.565 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.307 9.618 3.279 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.908 8.819 2.179 1.00 0.00 C ATOM 1049 C ALA A 113 -10.708 9.481 0.803 1.00 0.00 C ATOM 1050 O ALA A 113 -10.221 8.830 -0.121 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.399 8.598 2.446 1.00 0.00 C ATOM 0 H ALA A 113 -10.944 9.762 4.063 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.394 7.858 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.831 8.012 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.525 8.063 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.905 9.562 2.506 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.897 10.805 0.767 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.711 11.629 -0.441 1.00 0.00 C ATOM 1055 C ALA A 114 -9.267 11.575 -0.968 1.00 0.00 C ATOM 1056 O ALA A 114 -9.040 11.147 -2.103 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.125 13.070 -0.128 1.00 0.00 C ATOM 0 H ALA A 114 -11.187 11.344 1.583 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.342 11.226 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.991 13.688 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.172 13.090 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.507 13.459 0.681 1.00 0.00 H new ATOM 1059 N THR A 115 -8.304 11.840 -0.078 1.00 0.00 N ATOM 1060 CA THR A 115 -6.851 11.811 -0.385 1.00 0.00 C ATOM 1061 C THR A 115 -6.453 10.425 -0.933 1.00 0.00 C ATOM 1062 O THR A 115 -5.908 10.328 -2.031 1.00 0.00 O ATOM 1063 CB THR A 115 -6.022 12.063 0.887 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.690 13.006 1.742 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.629 12.591 0.536 1.00 0.00 C ATOM 0 H THR A 115 -8.504 12.085 0.892 1.00 0.00 H new ATOM 0 HA THR A 115 -6.653 12.589 -1.122 1.00 0.00 H new ATOM 0 HB THR A 115 -5.916 11.113 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.086 13.277 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.063 12.761 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.108 11.860 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.723 13.529 -0.012 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.892 9.396 -0.204 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.660 7.976 -0.546 1.00 0.00 C ATOM 1070 C LEU A 116 -7.199 7.669 -1.963 1.00 0.00 C ATOM 1071 O LEU A 116 -6.402 7.360 -2.852 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.315 7.116 0.541 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.081 5.600 0.381 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.600 5.211 0.353 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.786 4.883 1.521 1.00 0.00 C ATOM 0 H LEU A 116 -7.428 9.520 0.655 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.595 7.747 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.935 7.429 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.388 7.308 0.541 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.488 5.302 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.510 4.131 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.109 5.707 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.126 5.518 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.632 3.808 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.379 5.225 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.853 5.101 1.484 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.461 8.011 -2.194 1.00 0.00 N ATOM 1078 CA GLU A 117 -9.160 7.817 -3.486 1.00 0.00 C ATOM 1079 C GLU A 117 -8.419 8.469 -4.660 1.00 0.00 C ATOM 1080 O GLU A 117 -8.117 7.793 -5.645 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.598 8.333 -3.364 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.468 8.062 -4.606 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.620 9.248 -5.567 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -10.896 10.250 -5.428 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.540 9.148 -6.423 1.00 0.00 O ATOM 0 H GLU A 117 -9.051 8.441 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.180 6.750 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.067 7.869 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.573 9.407 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.039 7.223 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.460 7.753 -4.275 1.00 0.00 H new ATOM 1087 N GLU A 118 -8.032 9.737 -4.491 1.00 0.00 N ATOM 1088 CA GLU A 118 -7.292 10.516 -5.504 1.00 0.00 C ATOM 1089 C GLU A 118 -6.053 9.762 -6.024 1.00 0.00 C ATOM 1090 O GLU A 118 -5.920 9.531 -7.223 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.923 11.884 -4.920 1.00 0.00 C ATOM 1092 CG GLU A 118 -8.168 12.770 -4.762 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.927 13.944 -3.815 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -7.087 14.806 -4.159 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.581 13.968 -2.749 1.00 0.00 O ATOM 0 H GLU A 118 -8.223 10.263 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.937 10.663 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.441 11.752 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.201 12.378 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.468 13.150 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.995 12.167 -4.387 1.00 0.00 H new ATOM 1097 N LYS A 119 -5.297 9.216 -5.065 1.00 0.00 N ATOM 1098 CA LYS A 119 -4.104 8.412 -5.364 1.00 0.00 C ATOM 1099 C LYS A 119 -4.455 7.084 -6.041 1.00 0.00 C ATOM 1100 O LYS A 119 -4.094 6.909 -7.201 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.252 8.224 -4.105 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.366 9.464 -3.993 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.779 9.647 -2.591 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.888 10.902 -2.554 1.00 0.00 C ATOM 1105 NZ LYS A 119 -1.663 12.108 -2.894 1.00 0.00 N ATOM 0 H LYS A 119 -5.491 9.317 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.502 8.961 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.882 8.116 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.647 7.320 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.553 9.391 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.949 10.347 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.583 9.740 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.196 8.769 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.451 11.013 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.061 10.787 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.140 12.954 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.814 12.145 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.583 12.077 -2.410 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.371 6.320 -5.426 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.834 5.012 -5.947 1.00 0.00 C ATOM 1112 C LEU A 120 -6.202 5.077 -7.437 1.00 0.00 C ATOM 1113 O LEU A 120 -5.587 4.396 -8.261 1.00 0.00 O ATOM 1114 CB LEU A 120 -7.057 4.493 -5.180 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.816 4.275 -3.674 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.155 4.015 -2.990 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.832 3.130 -3.385 1.00 0.00 C ATOM 0 H LEU A 120 -5.817 6.588 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.994 4.332 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.877 5.200 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.377 3.551 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.356 5.179 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.994 3.859 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.811 4.873 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.617 3.127 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.703 3.025 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.225 2.200 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.870 3.352 -3.846 1.00 0.00 H new ATOM 1119 N ASN A 121 -7.044 6.059 -7.756 1.00 0.00 N ATOM 1120 CA ASN A 121 -7.534 6.343 -9.126 1.00 0.00 C ATOM 1121 C ASN A 121 -6.386 6.481 -10.140 1.00 0.00 C ATOM 1122 O ASN A 121 -6.254 5.677 -11.067 1.00 0.00 O ATOM 1123 CB ASN A 121 -8.349 7.648 -9.068 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.711 7.532 -8.357 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.986 6.673 -7.530 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -10.573 8.486 -8.627 1.00 0.00 N ATOM 0 H ASN A 121 -7.420 6.702 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 121 -8.147 5.508 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.755 8.408 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.516 8.000 -10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -11.473 8.511 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -10.343 9.201 -9.317 1.00 0.00 H new ATOM 1130 N LYS A 122 -5.474 7.398 -9.827 1.00 0.00 N ATOM 1131 CA LYS A 122 -4.271 7.707 -10.623 1.00 0.00 C ATOM 1132 C LYS A 122 -3.314 6.508 -10.762 1.00 0.00 C ATOM 1133 O LYS A 122 -2.834 6.223 -11.868 1.00 0.00 O ATOM 1134 CB LYS A 122 -3.596 8.910 -9.959 1.00 0.00 C ATOM 1135 CG LYS A 122 -2.545 9.581 -10.864 1.00 0.00 C ATOM 1136 CD LYS A 122 -2.051 10.909 -10.279 1.00 0.00 C ATOM 1137 CE LYS A 122 -3.100 12.038 -10.298 1.00 0.00 C ATOM 1138 NZ LYS A 122 -3.464 12.395 -11.669 1.00 0.00 N ATOM 0 H LYS A 122 -5.547 7.970 -8.986 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.557 7.942 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.356 9.643 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.119 8.588 -9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.699 8.907 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.974 9.756 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -1.731 10.743 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.173 11.235 -10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.989 11.722 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -2.705 12.914 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.023 13.272 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.601 12.539 -12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.027 11.629 -12.089 1.00 0.00 H new ATOM 1143 N ILE A 123 -3.146 5.746 -9.688 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.272 4.544 -9.651 1.00 0.00 C ATOM 1145 C ILE A 123 -2.696 3.517 -10.723 1.00 0.00 C ATOM 1146 O ILE A 123 -1.850 3.069 -11.501 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.272 3.853 -8.268 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -2.006 4.776 -7.071 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.292 2.674 -8.239 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -0.735 5.626 -7.106 1.00 0.00 C ATOM 0 H ILE A 123 -3.611 5.934 -8.800 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.262 4.899 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.296 3.501 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.858 5.448 -6.968 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.975 4.161 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.313 2.207 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.581 1.942 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.284 3.033 -8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.675 6.228 -6.199 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.137 4.975 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.760 6.282 -7.976 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.995 3.198 -10.784 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.550 2.233 -11.756 1.00 0.00 C ATOM 1154 C PHE A 124 -4.142 2.559 -13.202 1.00 0.00 C ATOM 1155 O PHE A 124 -3.492 1.742 -13.862 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.078 2.123 -11.628 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.524 1.623 -10.247 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.831 0.568 -9.595 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.536 2.345 -9.569 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.110 0.284 -8.248 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.826 2.053 -8.219 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.096 1.035 -7.558 1.00 0.00 C ATOM 0 H PHE A 124 -4.696 3.600 -10.162 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.118 1.262 -11.512 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.525 3.099 -11.818 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.454 1.445 -12.394 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.095 -0.012 -10.132 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.086 3.119 -10.085 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.575 -0.504 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.596 2.600 -7.696 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.292 0.828 -6.516 1.00 0.00 H new