USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1014 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 12 SER OG : rot -95:sc= 0.7 USER MOD Set 1.2: B 18 THR OG1 : rot 180:sc= 0.957 USER MOD Set 2.1: B 6 SER OG : rot -116:sc= 0.00243 USER MOD Set 2.2: B 9 SER OG : rot 180:sc= 0.002 USER MOD Set 3.1: A 75 GLN :FLIP amide:sc= -2.01 F(o=-6.8!,f=-3.3) USER MOD Set 3.2: A 88 LYS NZ :NH3+ 169:sc= -1.25 (180deg=0) USER MOD Set 4.1: A 46 THR OG1 : rot 93:sc= 0.982 USER MOD Set 4.2: A 60 CYS SG : rot -100:sc= -10.1! USER MOD Set 5.1: A 45 HIS : no HE2:sc= -5.74! C(o=-13!,f=-21!) USER MOD Set 5.2: A 52 LYS NZ :NH3+ 139:sc= -3.01! (180deg=-3.58!) USER MOD Set 5.3: A 57 CYS SG : rot 80:sc= -2.31 USER MOD Set 5.4: B 30 ASN :FLIP amide:sc= -2.04 F(o=-19!,f=-13) USER MOD Set 6.1: A 19 SER OG : rot 80:sc=-0.00014 USER MOD Set 6.2: A 22 HIS : no HD1:sc= -0.241 K(o=-2.1,f=-2.7) USER MOD Set 6.3: A 31 CYS SG : rot -177:sc= -2.33! USER MOD Set 6.4: A 36 CYS SG : rot -150:sc= 0.493 USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.00561 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 4 SER OG : rot -89:sc= -0.557! USER MOD Single : A 8 SER OG : rot 140:sc= -0.361 USER MOD Single : A 14 GLN : amide:sc= -0.27 K(o=-0.27,f=-0.93) USER MOD Single : A 18 GLN : amide:sc=-0.00495 K(o=-0.0049,f=-1.5!) USER MOD Single : A 25 GLN :FLIP amide:sc= -3.41! C(o=-6.3!,f=-3.4!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0157 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 30 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00575 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.21 K(o=1.2,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ -119:sc= 1.09 (180deg=-7.29!) USER MOD Single : A 39 MET CE :methyl -151:sc= -0.162 (180deg=-1.75) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -6.4! (180deg=-6.77!) USER MOD Single : A 44 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.36) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 57:sc= 0.264 USER MOD Single : A 54 ASN : amide:sc= -0.698 X(o=-0.7,f=-0.77) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0833 K(o=-0.083,f=-0.64) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 74 CYS SG : rot -98:sc= 0.0547 USER MOD Single : A 77 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -69:sc= -2.1! USER MOD Single : A 86 ASN : amide:sc= -0.0444 K(o=-0.044,f=-2!) USER MOD Single : A 89 GLN : amide:sc= -0.0209 K(o=-0.021,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.0916 (180deg=-0.762) USER MOD Single : B 1 MET N :NH3+ -162:sc= -0.0945 (180deg=-0.743) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 20 SER OG : rot -99:sc= 0.895 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.87) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc=-0.00413 K(o=-0.0041,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.736 0.415 21.909 1.00 0.00 N ATOM 2 CA ALA A 1 -15.914 0.916 20.771 1.00 0.00 C ATOM 3 C ALA A 1 -16.013 -0.064 19.607 1.00 0.00 C ATOM 4 O ALA A 1 -15.899 -1.276 19.791 1.00 0.00 O ATOM 5 CB ALA A 1 -14.457 1.052 21.219 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.217 0.553 22.800 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.633 0.939 21.946 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.932 -0.598 21.776 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.282 1.891 20.450 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.854 1.418 20.388 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.396 1.755 22.050 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.082 0.080 21.538 1.00 0.00 H new ATOM 13 N THR A 2 -16.227 0.469 18.409 1.00 0.00 N ATOM 14 CA THR A 2 -16.341 -0.368 17.220 1.00 0.00 C ATOM 15 C THR A 2 -15.017 -1.061 16.924 1.00 0.00 C ATOM 16 O THR A 2 -14.998 -2.172 16.397 1.00 0.00 O ATOM 17 CB THR A 2 -16.750 0.483 16.017 1.00 0.00 C ATOM 18 OG1 THR A 2 -15.790 1.512 15.819 1.00 0.00 O ATOM 19 CG2 THR A 2 -18.122 1.106 16.274 1.00 0.00 C ATOM 0 H THR A 2 -16.324 1.469 18.236 1.00 0.00 H new ATOM 0 HA THR A 2 -17.103 -1.125 17.406 1.00 0.00 H new ATOM 0 HB THR A 2 -16.800 -0.145 15.127 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.050 2.057 15.047 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.413 1.712 15.416 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.858 0.316 16.426 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.075 1.734 17.163 1.00 0.00 H new ATOM 27 N GLN A 3 -13.915 -0.381 17.255 1.00 0.00 N ATOM 28 CA GLN A 3 -12.566 -0.910 17.019 1.00 0.00 C ATOM 29 C GLN A 3 -12.537 -2.436 17.097 1.00 0.00 C ATOM 30 O GLN A 3 -13.331 -3.050 17.810 1.00 0.00 O ATOM 31 CB GLN A 3 -11.601 -0.330 18.055 1.00 0.00 C ATOM 32 CG GLN A 3 -11.461 1.177 17.834 1.00 0.00 C ATOM 33 CD GLN A 3 -10.530 1.777 18.883 1.00 0.00 C ATOM 34 OE1 GLN A 3 -9.966 1.051 19.701 1.00 0.00 O ATOM 35 NE2 GLN A 3 -10.335 3.067 18.908 1.00 0.00 N ATOM 0 H GLN A 3 -13.930 0.542 17.689 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.262 -0.617 16.014 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.969 -0.528 19.062 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.627 -0.813 17.971 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.069 1.371 16.835 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.440 1.653 17.890 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.804 3.667 18.229 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.714 3.475 19.607 1.00 0.00 H new ATOM 44 N SER A 4 -11.620 -3.034 16.351 1.00 0.00 N ATOM 45 CA SER A 4 -11.489 -4.484 16.318 1.00 0.00 C ATOM 46 C SER A 4 -10.426 -4.864 15.287 1.00 0.00 C ATOM 47 O SER A 4 -9.990 -4.013 14.513 1.00 0.00 O ATOM 48 CB SER A 4 -12.854 -5.116 15.960 1.00 0.00 C ATOM 49 OG SER A 4 -13.732 -4.100 15.489 1.00 0.00 O ATOM 0 H SER A 4 -10.954 -2.537 15.759 1.00 0.00 H new ATOM 0 HA SER A 4 -11.182 -4.858 17.295 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.724 -5.883 15.197 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.282 -5.606 16.835 1.00 0.00 H new ATOM 0 HG SER A 4 -14.222 -3.715 16.245 1.00 0.00 H new ATOM 55 N PRO A 5 -10.009 -6.108 15.232 1.00 0.00 N ATOM 56 CA PRO A 5 -8.991 -6.538 14.237 1.00 0.00 C ATOM 57 C PRO A 5 -9.482 -6.186 12.854 1.00 0.00 C ATOM 58 O PRO A 5 -8.726 -5.743 11.995 1.00 0.00 O ATOM 59 CB PRO A 5 -8.893 -8.054 14.444 1.00 0.00 C ATOM 60 CG PRO A 5 -9.304 -8.235 15.860 1.00 0.00 C ATOM 61 CD PRO A 5 -10.436 -7.236 16.068 1.00 0.00 C ATOM 0 HA PRO A 5 -8.019 -6.059 14.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.549 -8.596 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.881 -8.419 14.270 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.638 -9.256 16.048 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.475 -8.041 16.540 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.398 -7.638 15.750 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.541 -6.951 17.115 1.00 0.00 H new ATOM 69 N GLY A 6 -10.779 -6.357 12.673 1.00 0.00 N ATOM 70 CA GLY A 6 -11.406 -6.034 11.414 1.00 0.00 C ATOM 71 C GLY A 6 -11.205 -4.555 11.130 1.00 0.00 C ATOM 72 O GLY A 6 -11.027 -4.139 9.987 1.00 0.00 O ATOM 0 H GLY A 6 -11.415 -6.718 13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.974 -6.634 10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.470 -6.270 11.451 1.00 0.00 H new ATOM 76 N ASP A 7 -11.197 -3.772 12.204 1.00 0.00 N ATOM 77 CA ASP A 7 -10.984 -2.336 12.098 1.00 0.00 C ATOM 78 C ASP A 7 -9.495 -2.056 12.057 1.00 0.00 C ATOM 79 O ASP A 7 -9.051 -1.055 11.497 1.00 0.00 O ATOM 80 CB ASP A 7 -11.616 -1.612 13.284 1.00 0.00 C ATOM 81 CG ASP A 7 -13.105 -1.933 13.357 1.00 0.00 C ATOM 82 OD1 ASP A 7 -13.663 -2.288 12.333 1.00 0.00 O ATOM 83 OD2 ASP A 7 -13.664 -1.816 14.436 1.00 0.00 O ATOM 0 H ASP A 7 -11.336 -4.109 13.157 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.453 -1.972 11.184 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.125 -1.914 14.209 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.472 -0.536 13.183 1.00 0.00 H new ATOM 88 N SER A 8 -8.727 -2.974 12.632 1.00 0.00 N ATOM 89 CA SER A 8 -7.282 -2.851 12.637 1.00 0.00 C ATOM 90 C SER A 8 -6.764 -3.125 11.237 1.00 0.00 C ATOM 91 O SER A 8 -5.817 -2.493 10.770 1.00 0.00 O ATOM 92 CB SER A 8 -6.661 -3.828 13.642 1.00 0.00 C ATOM 93 OG SER A 8 -5.370 -3.364 14.012 1.00 0.00 O ATOM 0 H SER A 8 -9.084 -3.808 13.099 1.00 0.00 H new ATOM 0 HA SER A 8 -7.002 -1.842 12.939 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.296 -3.913 14.524 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.590 -4.823 13.203 1.00 0.00 H new ATOM 0 HG SER A 8 -5.234 -3.506 14.972 1.00 0.00 H new ATOM 99 N ARG A 9 -7.424 -4.060 10.567 1.00 0.00 N ATOM 100 CA ARG A 9 -7.072 -4.407 9.209 1.00 0.00 C ATOM 101 C ARG A 9 -7.470 -3.272 8.282 1.00 0.00 C ATOM 102 O ARG A 9 -6.762 -2.938 7.330 1.00 0.00 O ATOM 103 CB ARG A 9 -7.749 -5.718 8.793 1.00 0.00 C ATOM 104 CG ARG A 9 -7.096 -6.885 9.536 1.00 0.00 C ATOM 105 CD ARG A 9 -7.763 -8.195 9.115 1.00 0.00 C ATOM 106 NE ARG A 9 -7.127 -9.329 9.776 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.457 -10.577 9.464 1.00 0.00 C ATOM 108 NH1 ARG A 9 -8.363 -10.802 8.552 1.00 0.00 N ATOM 109 NH2 ARG A 9 -6.877 -11.579 10.067 1.00 0.00 N ATOM 0 H ARG A 9 -8.208 -4.590 10.949 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.994 -4.558 9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.814 -5.678 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.658 -5.861 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.029 -6.920 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.193 -6.745 10.613 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.823 -8.167 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.696 -8.313 8.033 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.417 -9.161 10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.817 -10.020 8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.617 -11.760 8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.169 -11.404 10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.132 -12.537 9.825 1.00 0.00 H new ATOM 123 N ARG A 10 -8.597 -2.659 8.602 1.00 0.00 N ATOM 124 CA ARG A 10 -9.087 -1.520 7.827 1.00 0.00 C ATOM 125 C ARG A 10 -8.226 -0.303 8.125 1.00 0.00 C ATOM 126 O ARG A 10 -7.982 0.537 7.262 1.00 0.00 O ATOM 127 CB ARG A 10 -10.554 -1.223 8.134 1.00 0.00 C ATOM 128 CG ARG A 10 -11.448 -2.326 7.543 1.00 0.00 C ATOM 129 CD ARG A 10 -11.473 -2.246 6.006 1.00 0.00 C ATOM 130 NE ARG A 10 -12.727 -2.799 5.501 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.921 -4.114 5.431 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.978 -4.932 5.810 1.00 0.00 N ATOM 133 NH2 ARG A 10 -14.052 -4.585 4.982 1.00 0.00 N ATOM 0 H ARG A 10 -9.191 -2.925 9.388 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.020 -1.767 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.703 -1.161 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.833 -0.255 7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.081 -3.304 7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.461 -2.227 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.367 -1.210 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.629 -2.796 5.590 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.467 -2.166 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.093 -4.564 6.159 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.125 -5.940 5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.789 -3.945 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.200 -5.593 4.929 1.00 0.00 H new ATOM 147 N LEU A 11 -7.747 -0.232 9.356 1.00 0.00 N ATOM 148 CA LEU A 11 -6.878 0.859 9.761 1.00 0.00 C ATOM 149 C LEU A 11 -5.487 0.593 9.203 1.00 0.00 C ATOM 150 O LEU A 11 -4.721 1.521 8.939 1.00 0.00 O ATOM 151 CB LEU A 11 -6.828 0.979 11.294 1.00 0.00 C ATOM 152 CG LEU A 11 -8.052 1.772 11.813 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.376 1.383 13.266 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.756 3.278 11.766 1.00 0.00 C ATOM 0 H LEU A 11 -7.944 -0.914 10.089 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.264 1.801 9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.813 -0.014 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.908 1.479 11.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.904 1.534 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.239 1.952 13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.600 0.317 13.316 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.518 1.604 13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.621 3.830 12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.892 3.499 12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.544 3.575 10.739 1.00 0.00 H new ATOM 166 N SER A 12 -5.172 -0.689 9.009 1.00 0.00 N ATOM 167 CA SER A 12 -3.875 -1.055 8.463 1.00 0.00 C ATOM 168 C SER A 12 -3.750 -0.530 7.044 1.00 0.00 C ATOM 169 O SER A 12 -2.745 0.087 6.687 1.00 0.00 O ATOM 170 CB SER A 12 -3.699 -2.574 8.470 1.00 0.00 C ATOM 171 OG SER A 12 -2.437 -2.902 7.902 1.00 0.00 O ATOM 0 H SER A 12 -5.788 -1.474 9.219 1.00 0.00 H new ATOM 0 HA SER A 12 -3.097 -0.612 9.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.762 -2.955 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.500 -3.047 7.903 1.00 0.00 H new ATOM 0 HG SER A 12 -2.549 -3.099 6.949 1.00 0.00 H new ATOM 177 N ILE A 13 -4.777 -0.769 6.230 1.00 0.00 N ATOM 178 CA ILE A 13 -4.742 -0.297 4.857 1.00 0.00 C ATOM 179 C ILE A 13 -4.907 1.223 4.790 1.00 0.00 C ATOM 180 O ILE A 13 -4.421 1.856 3.861 1.00 0.00 O ATOM 181 CB ILE A 13 -5.825 -0.970 4.007 1.00 0.00 C ATOM 182 CG1 ILE A 13 -7.209 -0.542 4.492 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.698 -2.496 4.081 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.286 -1.304 3.720 1.00 0.00 C ATOM 0 H ILE A 13 -5.623 -1.275 6.493 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.765 -0.564 4.453 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.694 -0.659 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.307 -0.738 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.338 0.531 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.476 -2.956 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.719 -2.798 3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.809 -2.821 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.271 -0.995 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.194 -1.086 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.162 -2.375 3.883 1.00 0.00 H new ATOM 196 N GLN A 14 -5.600 1.804 5.773 1.00 0.00 N ATOM 197 CA GLN A 14 -5.826 3.230 5.811 1.00 0.00 C ATOM 198 C GLN A 14 -4.496 3.966 5.922 1.00 0.00 C ATOM 199 O GLN A 14 -4.263 4.962 5.246 1.00 0.00 O ATOM 200 CB GLN A 14 -6.700 3.561 7.019 1.00 0.00 C ATOM 201 CG GLN A 14 -7.262 4.962 6.849 1.00 0.00 C ATOM 202 CD GLN A 14 -8.111 5.349 8.055 1.00 0.00 C ATOM 203 OE1 GLN A 14 -7.609 5.395 9.178 1.00 0.00 O ATOM 204 NE2 GLN A 14 -9.373 5.637 7.888 1.00 0.00 N ATOM 0 H GLN A 14 -6.013 1.294 6.554 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.326 3.545 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.511 2.838 7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.115 3.498 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.446 5.675 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.865 5.010 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.786 5.598 6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.946 5.901 8.689 1.00 0.00 H new ATOM 213 N ARG A 15 -3.621 3.436 6.767 1.00 0.00 N ATOM 214 CA ARG A 15 -2.297 3.998 6.967 1.00 0.00 C ATOM 215 C ARG A 15 -1.452 3.754 5.733 1.00 0.00 C ATOM 216 O ARG A 15 -0.700 4.626 5.294 1.00 0.00 O ATOM 217 CB ARG A 15 -1.637 3.361 8.193 1.00 0.00 C ATOM 218 CG ARG A 15 -2.324 3.860 9.464 1.00 0.00 C ATOM 219 CD ARG A 15 -1.717 3.166 10.685 1.00 0.00 C ATOM 220 NE ARG A 15 -2.348 3.654 11.908 1.00 0.00 N ATOM 221 CZ ARG A 15 -2.141 3.054 13.076 1.00 0.00 C ATOM 222 NH1 ARG A 15 -1.373 2.002 13.144 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.712 3.515 14.156 1.00 0.00 N ATOM 0 H ARG A 15 -3.811 2.607 7.330 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.383 5.071 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.707 2.275 8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.576 3.611 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.207 4.940 9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.394 3.658 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.851 2.087 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.644 3.352 10.722 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.959 4.470 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.930 1.638 12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.215 1.543 14.041 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.316 4.335 14.103 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.554 3.055 15.053 1.00 0.00 H new ATOM 237 N ALA A 16 -1.614 2.572 5.150 1.00 0.00 N ATOM 238 CA ALA A 16 -0.886 2.248 3.942 1.00 0.00 C ATOM 239 C ALA A 16 -1.427 3.123 2.834 1.00 0.00 C ATOM 240 O ALA A 16 -0.678 3.651 2.023 1.00 0.00 O ATOM 241 CB ALA A 16 -1.061 0.771 3.579 1.00 0.00 C ATOM 0 H ALA A 16 -2.233 1.837 5.491 1.00 0.00 H new ATOM 0 HA ALA A 16 0.179 2.425 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.505 0.552 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.685 0.150 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.118 0.558 3.419 1.00 0.00 H new ATOM 247 N ILE A 17 -2.745 3.290 2.848 1.00 0.00 N ATOM 248 CA ILE A 17 -3.423 4.128 1.878 1.00 0.00 C ATOM 249 C ILE A 17 -2.974 5.564 2.056 1.00 0.00 C ATOM 250 O ILE A 17 -2.627 6.235 1.097 1.00 0.00 O ATOM 251 CB ILE A 17 -4.938 4.008 2.111 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.455 2.659 1.518 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.712 5.218 1.529 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.280 2.873 0.243 1.00 0.00 C ATOM 0 H ILE A 17 -3.365 2.850 3.528 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.183 3.812 0.863 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.122 4.014 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.607 2.011 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.064 2.145 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.778 5.092 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.366 6.135 2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.537 5.279 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.620 1.909 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.143 3.499 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.664 3.363 -0.511 1.00 0.00 H new ATOM 266 N GLN A 18 -2.967 6.033 3.297 1.00 0.00 N ATOM 267 CA GLN A 18 -2.549 7.399 3.551 1.00 0.00 C ATOM 268 C GLN A 18 -1.193 7.655 2.909 1.00 0.00 C ATOM 269 O GLN A 18 -0.950 8.737 2.381 1.00 0.00 O ATOM 270 CB GLN A 18 -2.501 7.680 5.062 1.00 0.00 C ATOM 271 CG GLN A 18 -3.913 7.994 5.581 1.00 0.00 C ATOM 272 CD GLN A 18 -3.916 8.035 7.104 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.873 7.851 7.733 1.00 0.00 O ATOM 274 NE2 GLN A 18 -5.032 8.266 7.739 1.00 0.00 N ATOM 0 H GLN A 18 -3.239 5.500 4.123 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.278 8.078 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.094 6.817 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.835 8.519 5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.250 8.951 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.614 7.238 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.894 8.418 7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.042 8.295 8.759 1.00 0.00 H new ATOM 283 N SER A 19 -0.316 6.653 2.917 1.00 0.00 N ATOM 284 CA SER A 19 0.995 6.817 2.291 1.00 0.00 C ATOM 285 C SER A 19 0.926 6.450 0.818 1.00 0.00 C ATOM 286 O SER A 19 1.524 7.123 -0.010 1.00 0.00 O ATOM 287 CB SER A 19 2.055 5.965 2.995 1.00 0.00 C ATOM 288 OG SER A 19 3.336 6.289 2.470 1.00 0.00 O ATOM 0 H SER A 19 -0.482 5.739 3.339 1.00 0.00 H new ATOM 0 HA SER A 19 1.283 7.864 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.032 6.148 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.845 4.906 2.847 1.00 0.00 H new ATOM 0 HG SER A 19 3.660 7.116 2.884 1.00 0.00 H new ATOM 294 N LEU A 20 0.193 5.400 0.476 1.00 0.00 N ATOM 295 CA LEU A 20 0.087 5.034 -0.930 1.00 0.00 C ATOM 296 C LEU A 20 -0.603 6.152 -1.704 1.00 0.00 C ATOM 297 O LEU A 20 -0.096 6.608 -2.725 1.00 0.00 O ATOM 298 CB LEU A 20 -0.648 3.678 -1.057 1.00 0.00 C ATOM 299 CG LEU A 20 -1.519 3.560 -2.331 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.638 3.470 -3.581 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.362 2.285 -2.233 1.00 0.00 C ATOM 0 H LEU A 20 -0.321 4.805 1.126 1.00 0.00 H new ATOM 0 HA LEU A 20 1.078 4.908 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.088 2.874 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.280 3.534 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.155 4.442 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.269 3.388 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.022 4.366 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.005 2.592 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.981 2.189 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.704 1.419 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.001 2.338 -1.352 1.00 0.00 H new ATOM 313 N VAL A 21 -1.754 6.599 -1.209 1.00 0.00 N ATOM 314 CA VAL A 21 -2.476 7.670 -1.880 1.00 0.00 C ATOM 315 C VAL A 21 -1.609 8.935 -1.884 1.00 0.00 C ATOM 316 O VAL A 21 -1.478 9.597 -2.913 1.00 0.00 O ATOM 317 CB VAL A 21 -3.838 7.939 -1.183 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.315 9.386 -1.406 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.900 6.975 -1.726 1.00 0.00 C ATOM 0 H VAL A 21 -2.198 6.243 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.685 7.373 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.696 7.783 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.271 9.536 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.579 10.079 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.434 9.569 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.853 7.168 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.010 7.123 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.593 5.948 -1.531 1.00 0.00 H new ATOM 329 N HIS A 22 -1.019 9.269 -0.732 1.00 0.00 N ATOM 330 CA HIS A 22 -0.181 10.462 -0.649 1.00 0.00 C ATOM 331 C HIS A 22 1.100 10.291 -1.457 1.00 0.00 C ATOM 332 O HIS A 22 1.456 11.151 -2.254 1.00 0.00 O ATOM 333 CB HIS A 22 0.158 10.793 0.805 1.00 0.00 C ATOM 334 CG HIS A 22 0.791 12.157 0.868 1.00 0.00 C ATOM 335 ND1 HIS A 22 0.119 13.293 0.448 1.00 0.00 N ATOM 336 CD2 HIS A 22 2.019 12.588 1.304 1.00 0.00 C ATOM 337 CE1 HIS A 22 0.936 14.342 0.640 1.00 0.00 C ATOM 338 NE2 HIS A 22 2.109 13.970 1.158 1.00 0.00 N ATOM 0 H HIS A 22 -1.105 8.741 0.137 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.749 11.291 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.745 10.769 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.838 10.044 1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.797 11.952 1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.675 15.363 0.404 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.900 14.569 1.395 1.00 0.00 H new ATOM 346 N ALA A 23 1.787 9.178 -1.245 1.00 0.00 N ATOM 347 CA ALA A 23 3.031 8.907 -1.964 1.00 0.00 C ATOM 348 C ALA A 23 2.783 8.777 -3.464 1.00 0.00 C ATOM 349 O ALA A 23 3.666 9.068 -4.270 1.00 0.00 O ATOM 350 CB ALA A 23 3.679 7.619 -1.451 1.00 0.00 C ATOM 0 H ALA A 23 1.510 8.450 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 23 3.701 9.749 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.603 7.434 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.900 7.721 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.995 6.783 -1.601 1.00 0.00 H new ATOM 356 N ALA A 24 1.584 8.334 -3.840 1.00 0.00 N ATOM 357 CA ALA A 24 1.256 8.166 -5.252 1.00 0.00 C ATOM 358 C ALA A 24 0.670 9.444 -5.829 1.00 0.00 C ATOM 359 O ALA A 24 0.374 9.511 -7.007 1.00 0.00 O ATOM 360 CB ALA A 24 0.258 7.034 -5.411 1.00 0.00 C ATOM 0 H ALA A 24 0.833 8.088 -3.195 1.00 0.00 H new ATOM 0 HA ALA A 24 2.173 7.931 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.014 6.910 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.691 6.110 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.649 7.268 -4.854 1.00 0.00 H new ATOM 366 N GLN A 25 0.511 10.447 -4.981 1.00 0.00 N ATOM 367 CA GLN A 25 -0.031 11.741 -5.375 1.00 0.00 C ATOM 368 C GLN A 25 1.008 12.822 -5.162 1.00 0.00 C ATOM 369 O GLN A 25 1.066 13.801 -5.908 1.00 0.00 O ATOM 370 CB GLN A 25 -1.249 12.027 -4.503 1.00 0.00 C ATOM 371 CG GLN A 25 -2.398 11.098 -4.897 1.00 0.00 C ATOM 372 CD GLN A 25 -3.219 11.702 -6.008 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.743 10.907 -6.870 1.00 0.00 O flip ATOM 374 NE2 GLN A 25 -3.388 12.920 -6.086 1.00 0.00 N flip ATOM 0 H GLN A 25 0.756 10.388 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.309 11.727 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.997 11.883 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.554 13.067 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.000 10.135 -5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.033 10.910 -4.031 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.966 13.539 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.950 13.309 -6.843 1.00 0.00 H new ATOM 383 N CYS A 26 1.854 12.622 -4.160 1.00 0.00 N ATOM 384 CA CYS A 26 2.925 13.566 -3.876 1.00 0.00 C ATOM 385 C CYS A 26 4.220 12.997 -4.418 1.00 0.00 C ATOM 386 O CYS A 26 5.015 12.409 -3.685 1.00 0.00 O ATOM 387 CB CYS A 26 3.046 13.803 -2.369 1.00 0.00 C ATOM 388 SG CYS A 26 4.315 15.055 -2.058 1.00 0.00 S ATOM 0 H CYS A 26 1.819 11.818 -3.533 1.00 0.00 H new ATOM 0 HA CYS A 26 2.707 14.522 -4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.089 14.131 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.305 12.873 -1.863 1.00 0.00 H new ATOM 0 HG CYS A 26 4.418 15.260 -0.778 1.00 0.00 H new ATOM 394 N ARG A 27 4.412 13.165 -5.716 1.00 0.00 N ATOM 395 CA ARG A 27 5.599 12.660 -6.383 1.00 0.00 C ATOM 396 C ARG A 27 6.718 13.691 -6.246 1.00 0.00 C ATOM 397 O ARG A 27 7.352 14.104 -7.214 1.00 0.00 O ATOM 398 CB ARG A 27 5.237 12.360 -7.851 1.00 0.00 C ATOM 399 CG ARG A 27 6.434 11.779 -8.634 1.00 0.00 C ATOM 400 CD ARG A 27 6.595 10.284 -8.334 1.00 0.00 C ATOM 401 NE ARG A 27 7.691 9.736 -9.124 1.00 0.00 N ATOM 402 CZ ARG A 27 8.955 9.880 -8.740 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.233 10.521 -7.638 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.919 9.384 -9.466 1.00 0.00 N ATOM 0 H ARG A 27 3.758 13.649 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 27 5.956 11.734 -5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.406 11.655 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.897 13.276 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.284 11.928 -9.703 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.346 12.311 -8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.791 10.136 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.670 9.756 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 27 7.484 9.233 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.480 10.911 -7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.203 10.632 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.703 8.885 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.889 9.495 -9.171 1.00 0.00 H new ATOM 418 N ASN A 28 6.937 14.122 -5.009 1.00 0.00 N ATOM 419 CA ASN A 28 7.972 15.106 -4.728 1.00 0.00 C ATOM 420 C ASN A 28 9.354 14.488 -4.920 1.00 0.00 C ATOM 421 O ASN A 28 10.260 15.127 -5.451 1.00 0.00 O ATOM 422 CB ASN A 28 7.835 15.611 -3.291 1.00 0.00 C ATOM 423 CG ASN A 28 8.916 16.647 -3.009 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.767 16.441 -2.144 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.936 17.756 -3.699 1.00 0.00 N ATOM 0 H ASN A 28 6.415 13.807 -4.191 1.00 0.00 H new ATOM 0 HA ASN A 28 7.855 15.941 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.849 16.050 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.923 14.779 -2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.658 18.454 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.229 17.924 -4.415 1.00 0.00 H new ATOM 432 N ALA A 29 9.486 13.243 -4.451 1.00 0.00 N ATOM 433 CA ALA A 29 10.740 12.479 -4.517 1.00 0.00 C ATOM 434 C ALA A 29 11.492 12.592 -3.195 1.00 0.00 C ATOM 435 O ALA A 29 11.977 11.598 -2.654 1.00 0.00 O ATOM 436 CB ALA A 29 11.641 12.957 -5.666 1.00 0.00 C ATOM 0 H ALA A 29 8.721 12.732 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 29 10.479 11.438 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.557 12.367 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.117 12.836 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.889 14.008 -5.521 1.00 0.00 H new ATOM 442 N ASN A 30 11.587 13.819 -2.684 1.00 0.00 N ATOM 443 CA ASN A 30 12.283 14.077 -1.426 1.00 0.00 C ATOM 444 C ASN A 30 11.297 14.110 -0.259 1.00 0.00 C ATOM 445 O ASN A 30 11.619 14.620 0.813 1.00 0.00 O ATOM 446 CB ASN A 30 13.011 15.419 -1.507 1.00 0.00 C ATOM 447 CG ASN A 30 14.165 15.327 -2.499 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.627 14.231 -2.816 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.661 16.420 -3.011 1.00 0.00 N ATOM 0 H ASN A 30 11.190 14.650 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 30 13.001 13.274 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.317 16.201 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.388 15.698 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.433 16.367 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.277 17.327 -2.747 1.00 0.00 H new ATOM 456 N CYS A 31 10.090 13.579 -0.488 1.00 0.00 N ATOM 457 CA CYS A 31 9.040 13.560 0.541 1.00 0.00 C ATOM 458 C CYS A 31 9.639 13.432 1.945 1.00 0.00 C ATOM 459 O CYS A 31 10.587 12.674 2.154 1.00 0.00 O ATOM 460 CB CYS A 31 8.088 12.395 0.279 1.00 0.00 C ATOM 461 SG CYS A 31 6.625 12.565 1.332 1.00 0.00 S ATOM 0 H CYS A 31 9.815 13.157 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 31 8.495 14.503 0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.794 12.380 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.589 11.449 0.483 1.00 0.00 H new ATOM 0 HG CYS A 31 5.840 11.545 1.152 1.00 0.00 H new ATOM 467 N SER A 32 9.101 14.196 2.900 1.00 0.00 N ATOM 468 CA SER A 32 9.614 14.176 4.271 1.00 0.00 C ATOM 469 C SER A 32 8.885 13.169 5.145 1.00 0.00 C ATOM 470 O SER A 32 9.113 13.125 6.352 1.00 0.00 O ATOM 471 CB SER A 32 9.486 15.555 4.900 1.00 0.00 C ATOM 472 OG SER A 32 8.142 16.004 4.784 1.00 0.00 O ATOM 0 H SER A 32 8.317 14.831 2.750 1.00 0.00 H new ATOM 0 HA SER A 32 10.662 13.881 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.779 15.517 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.159 16.256 4.406 1.00 0.00 H new ATOM 0 HG SER A 32 8.057 16.892 5.190 1.00 0.00 H new ATOM 478 N LEU A 33 8.025 12.352 4.549 1.00 0.00 N ATOM 479 CA LEU A 33 7.302 11.339 5.307 1.00 0.00 C ATOM 480 C LEU A 33 7.994 9.992 5.094 1.00 0.00 C ATOM 481 O LEU A 33 7.885 9.409 4.017 1.00 0.00 O ATOM 482 CB LEU A 33 5.835 11.283 4.838 1.00 0.00 C ATOM 483 CG LEU A 33 5.071 12.553 5.325 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.225 13.147 4.190 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.132 12.200 6.491 1.00 0.00 C ATOM 0 H LEU A 33 7.812 12.370 3.552 1.00 0.00 H new ATOM 0 HA LEU A 33 7.306 11.584 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.794 11.219 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.354 10.387 5.229 1.00 0.00 H new ATOM 0 HG LEU A 33 5.815 13.280 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.701 14.032 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.874 13.424 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.499 12.408 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.606 13.097 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.408 11.455 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.716 11.798 7.319 1.00 0.00 H new ATOM 497 N PRO A 34 8.728 9.487 6.068 1.00 0.00 N ATOM 498 CA PRO A 34 9.445 8.199 5.899 1.00 0.00 C ATOM 499 C PRO A 34 8.557 7.149 5.252 1.00 0.00 C ATOM 500 O PRO A 34 9.026 6.310 4.484 1.00 0.00 O ATOM 501 CB PRO A 34 9.839 7.809 7.330 1.00 0.00 C ATOM 502 CG PRO A 34 9.977 9.109 8.052 1.00 0.00 C ATOM 503 CD PRO A 34 8.960 10.061 7.411 1.00 0.00 C ATOM 0 HA PRO A 34 10.308 8.281 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.080 7.178 7.792 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.773 7.247 7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.779 8.986 9.117 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.990 9.501 7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.037 10.108 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.349 11.077 7.349 1.00 0.00 H new ATOM 511 N SER A 35 7.268 7.214 5.552 1.00 0.00 N ATOM 512 CA SER A 35 6.323 6.277 4.975 1.00 0.00 C ATOM 513 C SER A 35 6.257 6.462 3.464 1.00 0.00 C ATOM 514 O SER A 35 6.090 5.497 2.721 1.00 0.00 O ATOM 515 CB SER A 35 4.935 6.475 5.587 1.00 0.00 C ATOM 516 OG SER A 35 4.941 5.991 6.923 1.00 0.00 O ATOM 0 H SER A 35 6.858 7.900 6.186 1.00 0.00 H new ATOM 0 HA SER A 35 6.661 5.264 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.664 7.531 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.186 5.945 4.999 1.00 0.00 H new ATOM 0 HG SER A 35 4.054 6.117 7.321 1.00 0.00 H new ATOM 522 N CYS A 36 6.387 7.705 3.005 1.00 0.00 N ATOM 523 CA CYS A 36 6.337 7.962 1.567 1.00 0.00 C ATOM 524 C CYS A 36 7.582 7.426 0.874 1.00 0.00 C ATOM 525 O CYS A 36 7.487 6.682 -0.098 1.00 0.00 O ATOM 526 CB CYS A 36 6.208 9.460 1.302 1.00 0.00 C ATOM 527 SG CYS A 36 4.463 9.929 1.325 1.00 0.00 S ATOM 0 H CYS A 36 6.524 8.530 3.589 1.00 0.00 H new ATOM 0 HA CYS A 36 5.465 7.447 1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.756 10.022 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.650 9.709 0.337 1.00 0.00 H new ATOM 0 HG CYS A 36 4.275 10.941 0.530 1.00 0.00 H new ATOM 533 N GLN A 37 8.748 7.824 1.366 1.00 0.00 N ATOM 534 CA GLN A 37 9.997 7.390 0.771 1.00 0.00 C ATOM 535 C GLN A 37 10.045 5.892 0.647 1.00 0.00 C ATOM 536 O GLN A 37 10.552 5.356 -0.334 1.00 0.00 O ATOM 537 CB GLN A 37 11.165 7.814 1.646 1.00 0.00 C ATOM 538 CG GLN A 37 11.220 9.339 1.717 1.00 0.00 C ATOM 539 CD GLN A 37 12.473 9.789 2.464 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.297 8.961 2.851 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.667 11.061 2.688 1.00 0.00 N ATOM 0 H GLN A 37 8.851 8.443 2.170 1.00 0.00 H new ATOM 0 HA GLN A 37 10.064 7.847 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.054 7.396 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.098 7.424 1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.218 9.757 0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.331 9.719 2.221 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.983 11.746 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.503 11.370 3.185 1.00 0.00 H new ATOM 550 N LYS A 38 9.514 5.219 1.650 1.00 0.00 N ATOM 551 CA LYS A 38 9.501 3.783 1.659 1.00 0.00 C ATOM 552 C LYS A 38 8.434 3.282 0.685 1.00 0.00 C ATOM 553 O LYS A 38 8.607 2.239 0.054 1.00 0.00 O ATOM 554 CB LYS A 38 9.334 3.281 3.121 1.00 0.00 C ATOM 555 CG LYS A 38 8.401 2.058 3.230 1.00 0.00 C ATOM 556 CD LYS A 38 6.968 2.562 3.368 1.00 0.00 C ATOM 557 CE LYS A 38 5.977 1.407 3.250 1.00 0.00 C ATOM 558 NZ LYS A 38 4.607 1.910 3.550 1.00 0.00 N ATOM 0 H LYS A 38 9.086 5.653 2.468 1.00 0.00 H new ATOM 0 HA LYS A 38 10.445 3.368 1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.313 3.023 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.938 4.090 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.498 1.426 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.674 1.447 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.843 3.058 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.762 3.305 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.011 0.983 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.245 0.609 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.227 1.409 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.648 2.929 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.989 1.744 2.730 1.00 0.00 H new ATOM 572 N MET A 39 7.342 4.043 0.543 1.00 0.00 N ATOM 573 CA MET A 39 6.293 3.657 -0.388 1.00 0.00 C ATOM 574 C MET A 39 6.752 3.936 -1.803 1.00 0.00 C ATOM 575 O MET A 39 6.452 3.182 -2.722 1.00 0.00 O ATOM 576 CB MET A 39 4.962 4.372 -0.104 1.00 0.00 C ATOM 577 CG MET A 39 4.129 3.623 0.961 1.00 0.00 C ATOM 578 SD MET A 39 3.852 1.888 0.497 1.00 0.00 S ATOM 579 CE MET A 39 3.069 2.190 -1.105 1.00 0.00 C ATOM 0 H MET A 39 7.170 4.910 1.052 1.00 0.00 H new ATOM 0 HA MET A 39 6.108 2.591 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.160 5.388 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.387 4.451 -1.027 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.643 3.666 1.921 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.169 4.123 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.379 1.377 -1.332 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.522 3.132 -1.071 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.834 2.243 -1.880 1.00 0.00 H new ATOM 589 N LYS A 40 7.507 5.001 -1.988 1.00 0.00 N ATOM 590 CA LYS A 40 8.004 5.272 -3.312 1.00 0.00 C ATOM 591 C LYS A 40 8.937 4.152 -3.665 1.00 0.00 C ATOM 592 O LYS A 40 8.917 3.628 -4.755 1.00 0.00 O ATOM 593 CB LYS A 40 8.725 6.603 -3.392 1.00 0.00 C ATOM 594 CG LYS A 40 7.702 7.722 -3.207 1.00 0.00 C ATOM 595 CD LYS A 40 8.395 9.078 -3.282 1.00 0.00 C ATOM 596 CE LYS A 40 7.370 10.180 -3.014 1.00 0.00 C ATOM 597 NZ LYS A 40 8.054 11.500 -3.008 1.00 0.00 N ATOM 0 H LYS A 40 7.779 5.667 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 40 7.170 5.335 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.495 6.663 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.227 6.704 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.933 7.654 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.201 7.613 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.202 9.129 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.847 9.216 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.594 10.164 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.878 10.009 -2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.393 12.232 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.876 11.462 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.372 11.731 -3.971 1.00 0.00 H new ATOM 611 N ARG A 41 9.720 3.759 -2.691 1.00 0.00 N ATOM 612 CA ARG A 41 10.644 2.669 -2.864 1.00 0.00 C ATOM 613 C ARG A 41 9.858 1.475 -3.397 1.00 0.00 C ATOM 614 O ARG A 41 10.321 0.766 -4.270 1.00 0.00 O ATOM 615 CB ARG A 41 11.284 2.350 -1.501 1.00 0.00 C ATOM 616 CG ARG A 41 12.738 1.920 -1.680 1.00 0.00 C ATOM 617 CD ARG A 41 13.336 1.600 -0.314 1.00 0.00 C ATOM 618 NE ARG A 41 13.494 2.821 0.471 1.00 0.00 N ATOM 619 CZ ARG A 41 14.457 3.697 0.198 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.270 3.484 -0.800 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.588 4.772 0.927 1.00 0.00 N ATOM 0 H ARG A 41 9.734 4.183 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 41 11.438 2.918 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.235 3.227 -0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.723 1.558 -1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.794 1.046 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.308 2.713 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.692 0.899 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.303 1.112 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 41 12.854 3.006 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.167 2.645 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.008 4.156 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.952 4.940 1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.327 5.443 0.717 1.00 0.00 H new ATOM 635 N VAL A 42 8.653 1.303 -2.852 1.00 0.00 N ATOM 636 CA VAL A 42 7.740 0.229 -3.253 1.00 0.00 C ATOM 637 C VAL A 42 7.146 0.491 -4.645 1.00 0.00 C ATOM 638 O VAL A 42 7.161 -0.389 -5.503 1.00 0.00 O ATOM 639 CB VAL A 42 6.605 0.097 -2.211 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.508 -0.837 -2.742 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.180 -0.475 -0.906 1.00 0.00 C ATOM 0 H VAL A 42 8.281 1.906 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 42 8.306 -0.701 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 42 6.173 1.080 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.713 -0.923 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.099 -0.429 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.932 -1.822 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.383 -0.570 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.615 -1.456 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.951 0.194 -0.524 1.00 0.00 H new ATOM 651 N VAL A 43 6.629 1.702 -4.863 1.00 0.00 N ATOM 652 CA VAL A 43 6.043 2.051 -6.157 1.00 0.00 C ATOM 653 C VAL A 43 7.139 2.161 -7.212 1.00 0.00 C ATOM 654 O VAL A 43 7.066 1.552 -8.278 1.00 0.00 O ATOM 655 CB VAL A 43 5.278 3.369 -6.059 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.705 3.726 -7.434 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.130 3.213 -5.059 1.00 0.00 C ATOM 0 H VAL A 43 6.604 2.449 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 43 5.346 1.265 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 43 5.951 4.159 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.158 4.667 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.519 3.830 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.030 2.936 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.581 4.152 -4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.457 2.425 -5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.533 2.951 -4.081 1.00 0.00 H new ATOM 667 N GLN A 44 8.168 2.928 -6.880 1.00 0.00 N ATOM 668 CA GLN A 44 9.308 3.114 -7.760 1.00 0.00 C ATOM 669 C GLN A 44 9.869 1.745 -8.143 1.00 0.00 C ATOM 670 O GLN A 44 10.285 1.537 -9.284 1.00 0.00 O ATOM 671 CB GLN A 44 10.380 3.976 -7.058 1.00 0.00 C ATOM 672 CG GLN A 44 9.842 5.392 -6.826 1.00 0.00 C ATOM 673 CD GLN A 44 9.712 6.121 -8.159 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.662 6.154 -8.941 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.590 6.710 -8.467 1.00 0.00 N ATOM 0 H GLN A 44 8.234 3.435 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 44 8.999 3.635 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.657 3.523 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.283 4.016 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.872 5.346 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.512 5.941 -6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.804 6.681 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.498 7.199 -9.357 1.00 0.00 H new ATOM 684 N HIS A 45 9.842 0.794 -7.201 1.00 0.00 N ATOM 685 CA HIS A 45 10.314 -0.557 -7.493 1.00 0.00 C ATOM 686 C HIS A 45 9.247 -1.329 -8.262 1.00 0.00 C ATOM 687 O HIS A 45 9.559 -2.111 -9.162 1.00 0.00 O ATOM 688 CB HIS A 45 10.628 -1.290 -6.181 1.00 0.00 C ATOM 689 CG HIS A 45 10.493 -2.779 -6.346 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.518 -3.598 -6.796 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.415 -3.596 -6.143 1.00 0.00 C ATOM 692 CE1 HIS A 45 11.031 -4.848 -6.856 1.00 0.00 C ATOM 693 NE2 HIS A 45 9.754 -4.896 -6.471 1.00 0.00 N ATOM 0 H HIS A 45 9.504 0.934 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 45 11.217 -0.492 -8.100 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.641 -1.047 -5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.953 -0.945 -5.398 1.00 0.00 H new ATOM 0 HD1 HIS A 45 12.465 -3.305 -7.036 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.449 -3.276 -5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.602 -5.707 -7.176 1.00 0.00 H new ATOM 701 N THR A 46 7.997 -1.144 -7.867 1.00 0.00 N ATOM 702 CA THR A 46 6.911 -1.876 -8.500 1.00 0.00 C ATOM 703 C THR A 46 6.978 -1.769 -10.005 1.00 0.00 C ATOM 704 O THR A 46 6.848 -2.770 -10.711 1.00 0.00 O ATOM 705 CB THR A 46 5.566 -1.335 -7.995 1.00 0.00 C ATOM 706 OG1 THR A 46 5.368 -1.758 -6.654 1.00 0.00 O ATOM 707 CG2 THR A 46 4.388 -1.827 -8.867 1.00 0.00 C ATOM 0 H THR A 46 7.712 -0.505 -7.125 1.00 0.00 H new ATOM 0 HA THR A 46 7.008 -2.929 -8.236 1.00 0.00 H new ATOM 0 HB THR A 46 5.594 -0.247 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.704 -1.071 -6.041 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.454 -1.423 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.530 -1.489 -9.894 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.349 -2.916 -8.845 1.00 0.00 H new ATOM 715 N LYS A 47 7.159 -0.570 -10.506 1.00 0.00 N ATOM 716 CA LYS A 47 7.211 -0.395 -11.940 1.00 0.00 C ATOM 717 C LYS A 47 8.526 -0.905 -12.514 1.00 0.00 C ATOM 718 O LYS A 47 8.548 -1.495 -13.592 1.00 0.00 O ATOM 719 CB LYS A 47 7.013 1.067 -12.304 1.00 0.00 C ATOM 720 CG LYS A 47 5.639 1.528 -11.808 1.00 0.00 C ATOM 721 CD LYS A 47 5.289 2.864 -12.454 1.00 0.00 C ATOM 722 CE LYS A 47 6.250 3.950 -11.964 1.00 0.00 C ATOM 723 NZ LYS A 47 5.702 5.289 -12.314 1.00 0.00 N ATOM 0 H LYS A 47 7.271 0.283 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 47 6.402 -0.982 -12.375 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.798 1.675 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.086 1.198 -13.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.882 0.783 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.647 1.627 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.346 2.779 -13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.263 3.138 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.386 3.871 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.231 3.816 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.354 6.028 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.594 5.361 -13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.775 5.415 -11.859 1.00 0.00 H new ATOM 737 N GLY A 48 9.622 -0.669 -11.798 1.00 0.00 N ATOM 738 CA GLY A 48 10.926 -1.112 -12.272 1.00 0.00 C ATOM 739 C GLY A 48 10.860 -2.551 -12.759 1.00 0.00 C ATOM 740 O GLY A 48 11.649 -2.969 -13.607 1.00 0.00 O ATOM 0 H GLY A 48 9.633 -0.182 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.264 -0.464 -13.081 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.658 -1.028 -11.469 1.00 0.00 H new ATOM 744 N CYS A 49 9.900 -3.303 -12.223 1.00 0.00 N ATOM 745 CA CYS A 49 9.712 -4.706 -12.611 1.00 0.00 C ATOM 746 C CYS A 49 8.381 -4.884 -13.350 1.00 0.00 C ATOM 747 O CYS A 49 7.324 -4.517 -12.834 1.00 0.00 O ATOM 748 CB CYS A 49 9.759 -5.587 -11.363 1.00 0.00 C ATOM 749 SG CYS A 49 11.483 -5.829 -10.866 1.00 0.00 S ATOM 0 H CYS A 49 9.240 -2.968 -11.521 1.00 0.00 H new ATOM 0 HA CYS A 49 10.513 -5.003 -13.287 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.197 -5.121 -10.554 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.288 -6.549 -11.565 1.00 0.00 H new ATOM 0 HG CYS A 49 11.527 -6.576 -9.803 1.00 0.00 H new ATOM 755 N LYS A 50 8.435 -5.455 -14.557 1.00 0.00 N ATOM 756 CA LYS A 50 7.226 -5.679 -15.347 1.00 0.00 C ATOM 757 C LYS A 50 6.528 -6.960 -14.906 1.00 0.00 C ATOM 758 O LYS A 50 5.305 -7.071 -14.984 1.00 0.00 O ATOM 759 CB LYS A 50 7.580 -5.754 -16.839 1.00 0.00 C ATOM 760 CG LYS A 50 8.140 -4.406 -17.327 1.00 0.00 C ATOM 761 CD LYS A 50 7.001 -3.403 -17.568 1.00 0.00 C ATOM 762 CE LYS A 50 7.580 -2.086 -18.088 1.00 0.00 C ATOM 763 NZ LYS A 50 6.472 -1.113 -18.301 1.00 0.00 N ATOM 0 H LYS A 50 9.297 -5.768 -15.004 1.00 0.00 H new ATOM 0 HA LYS A 50 6.545 -4.843 -15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.315 -6.542 -17.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.694 -6.017 -17.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.834 -4.006 -16.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.704 -4.552 -18.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.291 -3.810 -18.288 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.452 -3.231 -16.642 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.300 -1.685 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.116 -2.254 -19.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.861 -0.216 -18.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.801 -1.498 -18.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.979 -0.946 -17.401 1.00 0.00 H new ATOM 777 N ARG A 51 7.307 -7.918 -14.419 1.00 0.00 N ATOM 778 CA ARG A 51 6.747 -9.171 -13.940 1.00 0.00 C ATOM 779 C ARG A 51 5.957 -8.921 -12.667 1.00 0.00 C ATOM 780 O ARG A 51 4.874 -9.469 -12.468 1.00 0.00 O ATOM 781 CB ARG A 51 7.872 -10.179 -13.674 1.00 0.00 C ATOM 782 CG ARG A 51 7.310 -11.461 -13.003 1.00 0.00 C ATOM 783 CD ARG A 51 7.607 -11.448 -11.497 1.00 0.00 C ATOM 784 NE ARG A 51 9.047 -11.376 -11.271 1.00 0.00 N ATOM 785 CZ ARG A 51 9.810 -12.462 -11.348 1.00 0.00 C ATOM 786 NH1 ARG A 51 9.276 -13.618 -11.632 1.00 0.00 N ATOM 787 NH2 ARG A 51 11.095 -12.370 -11.142 1.00 0.00 N ATOM 0 H ARG A 51 8.322 -7.850 -14.346 1.00 0.00 H new ATOM 0 HA ARG A 51 6.081 -9.582 -14.699 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.364 -10.439 -14.611 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.628 -9.727 -13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.234 -11.524 -13.168 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.755 -12.344 -13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.114 -10.596 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.202 -12.346 -11.031 1.00 0.00 H new ATOM 0 HE ARG A 51 9.475 -10.477 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.272 -13.690 -11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.863 -14.450 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.513 -11.466 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.682 -13.202 -11.201 1.00 0.00 H new ATOM 801 N LYS A 52 6.524 -8.084 -11.809 1.00 0.00 N ATOM 802 CA LYS A 52 5.897 -7.744 -10.549 1.00 0.00 C ATOM 803 C LYS A 52 4.634 -6.929 -10.788 1.00 0.00 C ATOM 804 O LYS A 52 3.643 -7.073 -10.071 1.00 0.00 O ATOM 805 CB LYS A 52 6.901 -6.972 -9.678 1.00 0.00 C ATOM 806 CG LYS A 52 6.196 -6.070 -8.653 1.00 0.00 C ATOM 807 CD LYS A 52 7.158 -5.710 -7.508 1.00 0.00 C ATOM 808 CE LYS A 52 6.401 -5.071 -6.325 1.00 0.00 C ATOM 809 NZ LYS A 52 7.194 -5.264 -5.078 1.00 0.00 N ATOM 0 H LYS A 52 7.422 -7.628 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 52 5.606 -8.655 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.547 -7.678 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.543 -6.364 -10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.843 -5.161 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.319 -6.579 -8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.677 -6.607 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.919 -5.020 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.243 -4.008 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.416 -5.526 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.162 -4.395 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.793 -6.052 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.181 -5.480 -5.324 1.00 0.00 H new ATOM 823 N THR A 53 4.680 -6.060 -11.787 1.00 0.00 N ATOM 824 CA THR A 53 3.535 -5.222 -12.087 1.00 0.00 C ATOM 825 C THR A 53 2.351 -6.078 -12.512 1.00 0.00 C ATOM 826 O THR A 53 1.201 -5.641 -12.448 1.00 0.00 O ATOM 827 CB THR A 53 3.896 -4.189 -13.176 1.00 0.00 C ATOM 828 OG1 THR A 53 4.605 -3.112 -12.582 1.00 0.00 O ATOM 829 CG2 THR A 53 2.637 -3.642 -13.877 1.00 0.00 C ATOM 0 H THR A 53 5.487 -5.919 -12.395 1.00 0.00 H new ATOM 0 HA THR A 53 3.251 -4.677 -11.187 1.00 0.00 H new ATOM 0 HB THR A 53 4.513 -4.686 -13.925 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.401 -3.456 -12.126 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.930 -2.918 -14.637 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.097 -4.463 -14.347 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.993 -3.157 -13.143 1.00 0.00 H new ATOM 837 N ASN A 54 2.636 -7.299 -12.938 1.00 0.00 N ATOM 838 CA ASN A 54 1.582 -8.207 -13.362 1.00 0.00 C ATOM 839 C ASN A 54 0.950 -8.883 -12.151 1.00 0.00 C ATOM 840 O ASN A 54 0.044 -9.706 -12.297 1.00 0.00 O ATOM 841 CB ASN A 54 2.155 -9.275 -14.293 1.00 0.00 C ATOM 842 CG ASN A 54 2.758 -8.623 -15.532 1.00 0.00 C ATOM 843 OD1 ASN A 54 3.799 -9.062 -16.020 1.00 0.00 O ATOM 844 ND2 ASN A 54 2.163 -7.596 -16.074 1.00 0.00 N ATOM 0 H ASN A 54 3.580 -7.681 -12.999 1.00 0.00 H new ATOM 0 HA ASN A 54 0.822 -7.632 -13.891 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.917 -9.853 -13.770 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.370 -9.972 -14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.561 -7.156 -16.904 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.300 -7.234 -15.668 1.00 0.00 H new ATOM 851 N GLY A 55 1.436 -8.552 -10.948 1.00 0.00 N ATOM 852 CA GLY A 55 0.907 -9.167 -9.727 1.00 0.00 C ATOM 853 C GLY A 55 1.882 -10.212 -9.212 1.00 0.00 C ATOM 854 O GLY A 55 1.644 -10.854 -8.188 1.00 0.00 O ATOM 0 H GLY A 55 2.182 -7.873 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.743 -8.404 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.060 -9.628 -9.930 1.00 0.00 H new ATOM 858 N GLY A 56 2.972 -10.392 -9.946 1.00 0.00 N ATOM 859 CA GLY A 56 3.974 -11.381 -9.580 1.00 0.00 C ATOM 860 C GLY A 56 4.301 -11.310 -8.095 1.00 0.00 C ATOM 861 O GLY A 56 4.296 -12.328 -7.403 1.00 0.00 O ATOM 0 H GLY A 56 3.183 -9.868 -10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.612 -12.379 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.880 -11.217 -10.163 1.00 0.00 H new ATOM 865 N CYS A 57 4.616 -10.113 -7.609 1.00 0.00 N ATOM 866 CA CYS A 57 4.974 -9.934 -6.228 1.00 0.00 C ATOM 867 C CYS A 57 3.755 -9.784 -5.322 1.00 0.00 C ATOM 868 O CYS A 57 2.859 -8.999 -5.628 1.00 0.00 O ATOM 869 CB CYS A 57 5.788 -8.663 -6.095 1.00 0.00 C ATOM 870 SG CYS A 57 6.574 -8.636 -4.471 1.00 0.00 S ATOM 0 H CYS A 57 4.627 -9.257 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 57 5.531 -10.820 -5.924 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.543 -8.616 -6.880 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.146 -7.790 -6.217 1.00 0.00 H new ATOM 0 HG CYS A 57 7.635 -9.387 -4.490 1.00 0.00 H new ATOM 876 N PRO A 58 3.726 -10.432 -4.185 1.00 0.00 N ATOM 877 CA PRO A 58 2.609 -10.242 -3.227 1.00 0.00 C ATOM 878 C PRO A 58 2.390 -8.748 -3.000 1.00 0.00 C ATOM 879 O PRO A 58 1.278 -8.303 -2.719 1.00 0.00 O ATOM 880 CB PRO A 58 3.102 -10.935 -1.950 1.00 0.00 C ATOM 881 CG PRO A 58 4.053 -11.982 -2.429 1.00 0.00 C ATOM 882 CD PRO A 58 4.708 -11.418 -3.691 1.00 0.00 C ATOM 0 HA PRO A 58 1.658 -10.649 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.594 -10.229 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.275 -11.376 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.801 -12.205 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.530 -12.914 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.668 -10.951 -3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.896 -12.199 -4.428 1.00 0.00 H new ATOM 890 N ILE A 59 3.470 -7.977 -3.164 1.00 0.00 N ATOM 891 CA ILE A 59 3.395 -6.535 -3.018 1.00 0.00 C ATOM 892 C ILE A 59 2.520 -5.965 -4.119 1.00 0.00 C ATOM 893 O ILE A 59 1.657 -5.135 -3.856 1.00 0.00 O ATOM 894 CB ILE A 59 4.803 -5.902 -3.057 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.549 -6.261 -1.771 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.711 -4.377 -3.187 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.015 -5.822 -1.878 1.00 0.00 C ATOM 0 H ILE A 59 4.397 -8.333 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 59 2.955 -6.298 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 59 5.339 -6.290 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.076 -5.775 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.494 -7.335 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.715 -3.953 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.186 -4.121 -4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.167 -3.971 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.540 -6.081 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.486 -6.329 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.062 -4.744 -2.031 1.00 0.00 H new ATOM 909 N CYS A 60 2.713 -6.433 -5.354 1.00 0.00 N ATOM 910 CA CYS A 60 1.889 -5.949 -6.447 1.00 0.00 C ATOM 911 C CYS A 60 0.522 -6.591 -6.371 1.00 0.00 C ATOM 912 O CYS A 60 -0.496 -5.934 -6.560 1.00 0.00 O ATOM 913 CB CYS A 60 2.536 -6.208 -7.819 1.00 0.00 C ATOM 914 SG CYS A 60 3.439 -4.732 -8.327 1.00 0.00 S ATOM 0 H CYS A 60 3.414 -7.127 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 60 1.791 -4.868 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.211 -7.062 -7.762 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.771 -6.454 -8.556 1.00 0.00 H new ATOM 0 HG CYS A 60 2.724 -4.057 -9.177 1.00 0.00 H new ATOM 920 N LYS A 61 0.502 -7.874 -6.079 1.00 0.00 N ATOM 921 CA LYS A 61 -0.772 -8.562 -5.978 1.00 0.00 C ATOM 922 C LYS A 61 -1.623 -7.880 -4.911 1.00 0.00 C ATOM 923 O LYS A 61 -2.799 -7.584 -5.128 1.00 0.00 O ATOM 924 CB LYS A 61 -0.550 -10.029 -5.609 1.00 0.00 C ATOM 925 CG LYS A 61 -1.776 -10.849 -6.021 1.00 0.00 C ATOM 926 CD LYS A 61 -1.734 -12.209 -5.334 1.00 0.00 C ATOM 927 CE LYS A 61 -0.500 -12.987 -5.799 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.641 -14.417 -5.410 1.00 0.00 N ATOM 0 H LYS A 61 1.327 -8.450 -5.911 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.285 -8.520 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.341 -10.410 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.379 -10.124 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.689 -10.320 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.794 -10.977 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.707 -12.079 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.638 -12.772 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.389 -12.902 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.400 -12.564 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.197 -14.947 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.727 -14.489 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.491 -14.816 -5.857 1.00 0.00 H new ATOM 942 N GLN A 62 -1.006 -7.619 -3.764 1.00 0.00 N ATOM 943 CA GLN A 62 -1.697 -6.954 -2.666 1.00 0.00 C ATOM 944 C GLN A 62 -1.997 -5.495 -3.012 1.00 0.00 C ATOM 945 O GLN A 62 -3.082 -4.992 -2.718 1.00 0.00 O ATOM 946 CB GLN A 62 -0.841 -7.019 -1.396 1.00 0.00 C ATOM 947 CG GLN A 62 -1.606 -6.396 -0.225 1.00 0.00 C ATOM 948 CD GLN A 62 -0.788 -6.520 1.057 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.331 -6.014 1.129 1.00 0.00 O ATOM 950 NE2 GLN A 62 -1.285 -7.162 2.078 1.00 0.00 N ATOM 0 H GLN A 62 -0.033 -7.857 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.642 -7.469 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.589 -8.055 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.099 -6.489 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.814 -5.347 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.568 -6.894 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.213 -7.580 2.015 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.745 -7.246 2.940 1.00 0.00 H new ATOM 959 N LEU A 63 -1.025 -4.813 -3.623 1.00 0.00 N ATOM 960 CA LEU A 63 -1.205 -3.406 -3.980 1.00 0.00 C ATOM 961 C LEU A 63 -2.319 -3.252 -5.009 1.00 0.00 C ATOM 962 O LEU A 63 -3.144 -2.344 -4.909 1.00 0.00 O ATOM 963 CB LEU A 63 0.099 -2.811 -4.518 1.00 0.00 C ATOM 964 CG LEU A 63 -0.045 -1.300 -4.741 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.302 -0.571 -3.406 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.251 -0.777 -5.376 1.00 0.00 C ATOM 0 H LEU A 63 -0.119 -5.206 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.486 -2.862 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.910 -3.004 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.367 -3.298 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.894 -1.111 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.401 0.499 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.220 -0.949 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.533 -0.748 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.167 0.297 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.089 -0.977 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.418 -1.280 -6.329 1.00 0.00 H new ATOM 978 N ILE A 64 -2.354 -4.155 -5.983 1.00 0.00 N ATOM 979 CA ILE A 64 -3.393 -4.111 -7.003 1.00 0.00 C ATOM 980 C ILE A 64 -4.759 -4.280 -6.343 1.00 0.00 C ATOM 981 O ILE A 64 -5.715 -3.581 -6.678 1.00 0.00 O ATOM 982 CB ILE A 64 -3.151 -5.212 -8.047 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.923 -4.846 -8.887 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.369 -5.357 -8.965 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.463 -6.063 -9.694 1.00 0.00 C ATOM 0 H ILE A 64 -1.684 -4.917 -6.087 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.366 -3.148 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.985 -6.158 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.164 -4.023 -9.559 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.117 -4.503 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.181 -6.141 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.244 -5.619 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.550 -4.414 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.590 -5.796 -10.289 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.204 -6.874 -9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.267 -6.386 -10.355 1.00 0.00 H new ATOM 997 N ALA A 65 -4.840 -5.198 -5.389 1.00 0.00 N ATOM 998 CA ALA A 65 -6.086 -5.429 -4.674 1.00 0.00 C ATOM 999 C ALA A 65 -6.413 -4.226 -3.797 1.00 0.00 C ATOM 1000 O ALA A 65 -7.555 -3.768 -3.751 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.972 -6.681 -3.805 1.00 0.00 C ATOM 0 H ALA A 65 -4.064 -5.790 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.885 -5.573 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.911 -6.843 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.758 -7.544 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.166 -6.551 -3.083 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.393 -3.693 -3.131 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.587 -2.518 -2.295 1.00 0.00 C ATOM 1009 C LEU A 66 -6.059 -1.390 -3.189 1.00 0.00 C ATOM 1010 O LEU A 66 -6.975 -0.637 -2.854 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.278 -2.138 -1.595 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.421 -0.799 -0.861 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.619 -0.845 0.091 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.142 -0.541 -0.059 1.00 0.00 C ATOM 0 H LEU A 66 -4.438 -4.051 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.327 -2.721 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.000 -2.918 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.474 -2.072 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.579 -0.001 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.711 0.111 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.528 -1.039 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.472 -1.639 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.229 0.409 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.996 -1.345 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.289 -0.503 -0.737 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.437 -1.321 -4.355 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.787 -0.334 -5.352 1.00 0.00 C ATOM 1028 C ALA A 67 -7.208 -0.583 -5.833 1.00 0.00 C ATOM 1029 O ALA A 67 -7.941 0.352 -6.139 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.830 -0.438 -6.536 1.00 0.00 C ATOM 0 H ALA A 67 -4.680 -1.946 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.716 0.661 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.096 0.307 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.810 -0.262 -6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.899 -1.434 -6.974 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.589 -1.858 -5.906 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.931 -2.202 -6.362 1.00 0.00 C ATOM 1038 C ALA A 68 -9.976 -1.516 -5.491 1.00 0.00 C ATOM 1039 O ALA A 68 -10.888 -0.864 -5.998 1.00 0.00 O ATOM 1040 CB ALA A 68 -9.139 -3.718 -6.316 1.00 0.00 C ATOM 0 H ALA A 68 -7.000 -2.654 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.042 -1.860 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.145 -3.958 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.409 -4.205 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.011 -4.072 -5.293 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.834 -1.658 -4.178 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.777 -1.035 -3.255 1.00 0.00 C ATOM 1048 C TYR A 69 -10.739 0.490 -3.384 1.00 0.00 C ATOM 1049 O TYR A 69 -11.783 1.144 -3.409 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.456 -1.442 -1.816 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.664 -2.932 -1.656 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.960 -3.456 -1.582 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.560 -3.790 -1.580 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.151 -4.836 -1.432 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.750 -5.167 -1.431 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.046 -5.691 -1.358 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.232 -7.051 -1.211 1.00 0.00 O ATOM 0 H TYR A 69 -9.087 -2.191 -3.733 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.779 -1.380 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.426 -1.179 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.096 -0.898 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.813 -2.796 -1.641 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.560 -3.387 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.151 -5.240 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.897 -5.827 -1.372 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.361 -7.499 -1.178 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.532 1.053 -3.468 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.384 2.502 -3.595 1.00 0.00 C ATOM 1069 C HIS A 70 -9.917 3.004 -4.936 1.00 0.00 C ATOM 1070 O HIS A 70 -10.627 4.009 -4.994 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.911 2.890 -3.457 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.776 4.383 -3.587 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.596 5.263 -2.902 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.925 5.163 -4.331 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.224 6.511 -3.241 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.210 6.507 -4.110 1.00 0.00 N ATOM 0 H HIS A 70 -8.654 0.535 -3.451 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.967 2.966 -2.799 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.525 2.561 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.318 2.392 -4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.153 4.790 -4.987 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.689 7.407 -2.857 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.745 7.315 -4.523 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.566 2.306 -6.008 1.00 0.00 N ATOM 1085 CA ALA A 71 -10.012 2.695 -7.342 1.00 0.00 C ATOM 1086 C ALA A 71 -11.533 2.648 -7.430 1.00 0.00 C ATOM 1087 O ALA A 71 -12.141 3.351 -8.236 1.00 0.00 O ATOM 1088 CB ALA A 71 -9.403 1.770 -8.398 1.00 0.00 C ATOM 0 H ALA A 71 -8.978 1.473 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.679 3.716 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.745 2.073 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.316 1.834 -8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.714 0.743 -8.205 1.00 0.00 H new ATOM 1094 N LYS A 72 -12.141 1.832 -6.576 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.593 1.722 -6.545 1.00 0.00 C ATOM 1096 C LYS A 72 -14.189 2.947 -5.865 1.00 0.00 C ATOM 1097 O LYS A 72 -15.060 3.613 -6.424 1.00 0.00 O ATOM 1098 CB LYS A 72 -14.014 0.445 -5.802 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.876 -0.767 -6.740 1.00 0.00 C ATOM 1100 CD LYS A 72 -14.066 -2.083 -5.965 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.854 -3.263 -6.916 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.970 -4.539 -6.155 1.00 0.00 N ATOM 0 H LYS A 72 -11.655 1.242 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.966 1.667 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.393 0.305 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.044 0.536 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.615 -0.700 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.894 -0.757 -7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.359 -2.136 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.066 -2.124 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.593 -3.236 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.873 -3.194 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.826 -5.342 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.249 -4.563 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.916 -4.603 -5.727 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.714 3.251 -4.659 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.217 4.405 -3.944 1.00 0.00 C ATOM 1118 C HIS A 73 -13.957 5.669 -4.746 1.00 0.00 C ATOM 1119 O HIS A 73 -14.833 6.526 -4.863 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.569 4.499 -2.561 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.162 5.647 -1.793 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -15.498 5.679 -1.424 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -13.611 6.807 -1.306 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -15.704 6.823 -0.747 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -14.587 7.548 -0.645 1.00 0.00 N ATOM 0 H HIS A 73 -12.994 2.720 -4.169 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.293 4.295 -3.809 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.721 3.568 -2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.493 4.636 -2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -12.578 7.100 -1.419 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.658 7.119 -0.336 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -14.473 8.450 -0.183 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.773 5.768 -5.339 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.468 6.919 -6.166 1.00 0.00 C ATOM 1135 C CYS A 74 -13.187 6.743 -7.496 1.00 0.00 C ATOM 1136 O CYS A 74 -12.782 5.932 -8.329 1.00 0.00 O ATOM 1137 CB CYS A 74 -10.960 7.033 -6.390 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.601 8.558 -7.292 1.00 0.00 S ATOM 0 H CYS A 74 -12.025 5.078 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.800 7.833 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.438 7.032 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.598 6.172 -6.951 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.462 8.292 -8.557 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.282 7.475 -7.672 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.080 7.359 -8.885 1.00 0.00 C ATOM 1146 C GLN A 75 -14.495 8.241 -9.979 1.00 0.00 C ATOM 1147 O GLN A 75 -15.082 8.423 -11.043 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.528 7.781 -8.577 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.494 7.324 -9.684 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.545 5.802 -9.751 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.566 5.211 -10.915 1.00 0.00 O flip ATOM 1152 NE2 GLN A 75 -17.569 5.134 -8.717 1.00 0.00 N flip ATOM 0 H GLN A 75 -14.635 8.151 -6.994 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.071 6.326 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -16.838 7.354 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.578 8.865 -8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.491 7.719 -9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -17.172 7.726 -10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.552 5.599 -7.809 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.605 4.116 -8.768 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.322 8.794 -9.703 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.643 9.673 -10.657 1.00 0.00 C ATOM 1163 C GLU A 76 -11.236 9.197 -10.937 1.00 0.00 C ATOM 1164 O GLU A 76 -10.589 8.580 -10.090 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.610 11.105 -10.114 1.00 0.00 C ATOM 1166 CG GLU A 76 -11.909 12.024 -11.120 1.00 0.00 C ATOM 1167 CD GLU A 76 -12.024 13.475 -10.667 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.425 13.693 -9.536 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.716 14.349 -11.461 1.00 0.00 O ATOM 0 H GLU A 76 -12.818 8.652 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.200 9.651 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.625 11.458 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.086 11.130 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.859 11.745 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.357 11.906 -12.107 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.758 9.506 -12.136 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.420 9.126 -12.523 1.00 0.00 C ATOM 1178 C ASN A 77 -8.460 10.158 -11.972 1.00 0.00 C ATOM 1179 O ASN A 77 -8.142 11.140 -12.643 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.303 9.063 -14.048 1.00 0.00 C ATOM 1181 CG ASN A 77 -9.959 7.789 -14.571 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -9.390 6.704 -14.453 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -11.131 7.855 -15.140 1.00 0.00 N ATOM 0 H ASN A 77 -11.280 10.016 -12.849 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.184 8.139 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.780 9.936 -14.494 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.254 9.088 -14.342 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.577 7.007 -15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.601 8.755 -15.237 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.020 9.949 -10.734 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.116 10.898 -10.096 1.00 0.00 C ATOM 1192 C LYS A 78 -6.077 11.399 -11.100 1.00 0.00 C ATOM 1193 O LYS A 78 -6.033 12.596 -11.370 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.432 10.246 -8.886 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.404 10.130 -7.699 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.503 11.478 -6.961 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.393 11.343 -5.723 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.616 12.695 -5.137 1.00 0.00 N ATOM 0 H LYS A 78 -8.271 9.143 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.693 11.754 -9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.067 9.256 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.564 10.836 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.389 9.828 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.061 9.355 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.508 11.813 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.911 12.237 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.346 10.887 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.922 10.688 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.220 12.613 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.702 13.112 -4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.082 13.305 -5.839 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.299 10.459 -11.674 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.279 10.751 -12.709 1.00 0.00 C ATOM 1214 C CYS A 79 -2.875 10.245 -12.337 1.00 0.00 C ATOM 1215 O CYS A 79 -2.286 9.492 -13.111 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.228 12.235 -13.112 1.00 0.00 C ATOM 1217 SG CYS A 79 -2.938 12.474 -14.360 1.00 0.00 S ATOM 0 H CYS A 79 -5.359 9.470 -11.433 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.610 10.187 -13.581 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.194 12.550 -13.507 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.024 12.854 -12.238 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.894 13.727 -14.704 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.300 10.613 -11.210 1.00 0.00 N ATOM 1224 CA PRO A 80 -0.934 10.132 -10.843 1.00 0.00 C ATOM 1225 C PRO A 80 -0.926 8.638 -10.499 1.00 0.00 C ATOM 1226 O PRO A 80 0.062 7.957 -10.743 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.578 10.975 -9.615 1.00 0.00 C ATOM 1228 CG PRO A 80 -1.892 11.228 -8.982 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.840 11.488 -10.154 1.00 0.00 C ATOM 0 HA PRO A 80 -0.223 10.239 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 80 0.096 10.443 -8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.081 11.904 -9.895 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.218 10.373 -8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.850 12.084 -8.309 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.870 11.233 -9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.834 12.536 -10.454 1.00 0.00 H new ATOM 1237 N VAL A 81 -2.036 8.144 -9.930 1.00 0.00 N ATOM 1238 CA VAL A 81 -2.141 6.731 -9.548 1.00 0.00 C ATOM 1239 C VAL A 81 -2.137 5.843 -10.806 1.00 0.00 C ATOM 1240 O VAL A 81 -3.112 5.858 -11.561 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.440 6.497 -8.758 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.350 5.174 -7.989 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.659 7.642 -7.761 1.00 0.00 C ATOM 0 H VAL A 81 -2.867 8.699 -9.726 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.287 6.471 -8.923 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.274 6.458 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.273 5.014 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.204 4.354 -8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.509 5.212 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.581 7.469 -7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.820 7.686 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.732 8.586 -8.301 1.00 0.00 H new ATOM 1253 N PRO A 82 -1.080 5.093 -11.082 1.00 0.00 N ATOM 1254 CA PRO A 82 -1.022 4.235 -12.318 1.00 0.00 C ATOM 1255 C PRO A 82 -2.168 3.229 -12.438 1.00 0.00 C ATOM 1256 O PRO A 82 -2.812 3.120 -13.483 1.00 0.00 O ATOM 1257 CB PRO A 82 0.316 3.486 -12.182 1.00 0.00 C ATOM 1258 CG PRO A 82 1.146 4.322 -11.270 1.00 0.00 C ATOM 1259 CD PRO A 82 0.164 4.951 -10.285 1.00 0.00 C ATOM 0 HA PRO A 82 -1.110 4.853 -13.212 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.167 2.487 -11.773 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.799 3.364 -13.152 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.889 3.717 -10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.689 5.087 -11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.011 4.318 -9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.521 5.915 -9.922 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.368 2.463 -11.379 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.386 1.414 -11.372 1.00 0.00 C ATOM 1269 C PHE A 83 -4.790 1.961 -11.619 1.00 0.00 C ATOM 1270 O PHE A 83 -5.555 1.386 -12.394 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.368 0.676 -10.027 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.954 0.627 -9.492 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.913 0.138 -10.292 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.685 1.072 -8.191 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.396 0.096 -9.792 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.379 1.029 -7.691 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.662 0.542 -8.491 1.00 0.00 C ATOM 0 H PHE A 83 -1.841 2.544 -10.510 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.144 0.732 -12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.019 1.182 -9.315 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.756 -0.335 -10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.119 -0.207 -11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.487 1.449 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.199 -0.280 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.174 1.372 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.670 0.510 -8.105 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.139 3.049 -10.949 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.474 3.606 -11.119 1.00 0.00 C ATOM 1289 C CYS A 84 -6.763 3.813 -12.600 1.00 0.00 C ATOM 1290 O CYS A 84 -7.816 3.425 -13.093 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.617 4.928 -10.340 1.00 0.00 C ATOM 1292 SG CYS A 84 -6.111 6.337 -11.365 1.00 0.00 S ATOM 0 H CYS A 84 -4.536 3.553 -10.299 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.203 2.903 -10.716 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.651 5.057 -10.021 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.007 4.891 -9.437 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.826 6.296 -11.556 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.814 4.405 -13.309 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.982 4.632 -14.736 1.00 0.00 C ATOM 1300 C LEU A 85 -6.112 3.300 -15.472 1.00 0.00 C ATOM 1301 O LEU A 85 -6.868 3.174 -16.422 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.777 5.405 -15.303 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.760 6.858 -14.781 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.390 7.496 -15.053 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.838 7.695 -15.486 1.00 0.00 C ATOM 0 H LEU A 85 -4.928 4.734 -12.925 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.889 5.219 -14.882 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.852 4.902 -15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.820 5.406 -16.392 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.957 6.837 -13.709 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.386 8.521 -14.682 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.614 6.923 -14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.196 7.498 -16.126 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.812 8.716 -15.106 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.649 7.702 -16.559 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.819 7.261 -15.293 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.364 2.307 -15.032 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.393 1.004 -15.677 1.00 0.00 C ATOM 1319 C ASN A 86 -6.762 0.358 -15.547 1.00 0.00 C ATOM 1320 O ASN A 86 -7.199 -0.363 -16.441 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.330 0.094 -15.071 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.944 0.600 -15.451 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.806 1.389 -16.386 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.903 0.192 -14.781 1.00 0.00 N ATOM 0 H ASN A 86 -4.731 2.374 -14.235 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.183 1.148 -16.737 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.434 0.069 -13.986 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.465 -0.927 -15.427 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.972 0.526 -15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.019 -0.462 -14.007 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.428 0.605 -14.423 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.750 0.031 -14.179 1.00 0.00 C ATOM 1333 C ILE A 87 -9.871 0.993 -14.585 1.00 0.00 C ATOM 1334 O ILE A 87 -10.793 0.606 -15.302 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.877 -0.323 -12.698 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.854 -1.410 -12.362 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.287 -0.842 -12.408 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.753 -1.575 -10.845 1.00 0.00 C ATOM 0 H ILE A 87 -7.077 1.196 -13.669 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.852 -0.866 -14.790 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.693 0.563 -12.091 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.149 -2.354 -12.821 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.880 -1.146 -12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.372 -1.093 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.017 -0.072 -12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.478 -1.731 -13.008 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.023 -2.350 -10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.438 -0.633 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.726 -1.860 -10.444 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.800 2.238 -14.114 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.844 3.222 -14.438 1.00 0.00 C ATOM 1352 C LYS A 88 -10.776 3.692 -15.897 1.00 0.00 C ATOM 1353 O LYS A 88 -11.813 3.847 -16.542 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.787 4.434 -13.479 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.523 4.121 -12.157 1.00 0.00 C ATOM 1356 CD LYS A 88 -13.036 4.340 -12.324 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.747 4.011 -11.010 1.00 0.00 C ATOM 1358 NZ LYS A 88 -15.214 4.202 -11.183 1.00 0.00 N ATOM 0 H LYS A 88 -9.049 2.588 -13.519 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.799 2.714 -14.305 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.748 4.690 -13.271 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.240 5.303 -13.956 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.328 3.091 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.142 4.760 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.235 5.373 -12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.419 3.708 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.535 2.983 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.377 4.654 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.715 3.806 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.425 5.217 -11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.528 3.716 -12.048 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.573 3.936 -16.415 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.440 4.403 -17.801 1.00 0.00 C ATOM 1374 C GLN A 89 -9.521 3.227 -18.770 1.00 0.00 C ATOM 1375 O GLN A 89 -9.905 3.398 -19.929 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.103 5.129 -17.996 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.191 6.087 -19.186 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.838 6.752 -19.408 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.869 6.429 -18.720 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.710 7.663 -20.332 1.00 0.00 N ATOM 0 H GLN A 89 -8.693 3.823 -15.912 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.258 5.094 -18.005 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.846 5.682 -17.093 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.307 4.403 -18.162 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.492 5.544 -20.082 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.953 6.844 -19.001 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.514 7.929 -20.901 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.806 8.110 -20.486 1.00 0.00 H new ATOM 1389 N LYS A 90 -9.131 2.046 -18.280 1.00 0.00 N ATOM 1390 CA LYS A 90 -9.125 0.809 -19.083 1.00 0.00 C ATOM 1391 C LYS A 90 -10.056 0.903 -20.298 1.00 0.00 C ATOM 1392 O LYS A 90 -9.566 0.764 -21.407 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.548 -0.388 -18.200 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.735 -1.644 -18.566 1.00 0.00 C ATOM 1395 CD LYS A 90 -9.074 -2.781 -17.599 1.00 0.00 C ATOM 1396 CE LYS A 90 -8.210 -3.999 -17.930 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.576 -5.128 -17.030 1.00 0.00 N ATOM 1398 OXT LYS A 90 -11.242 1.114 -20.097 1.00 0.00 O ATOM 0 H LYS A 90 -8.811 1.916 -17.320 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.110 0.664 -19.454 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.396 -0.143 -17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.612 -0.586 -18.331 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.957 -1.946 -19.589 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.668 -1.423 -18.523 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.898 -2.464 -16.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.130 -3.038 -17.677 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.354 -4.288 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.155 -3.753 -17.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.988 -5.956 -17.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.417 -4.849 -16.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.579 -5.368 -17.165 1.00 0.00 H new TER 1412 LYS A 90 ATOM 1413 N MET B 1 -10.331 -24.368 14.113 1.00 0.00 N ATOM 1414 CA MET B 1 -11.420 -25.090 14.832 1.00 0.00 C ATOM 1415 C MET B 1 -10.857 -26.359 15.459 1.00 0.00 C ATOM 1416 O MET B 1 -11.457 -26.934 16.366 1.00 0.00 O ATOM 1417 CB MET B 1 -12.530 -25.442 13.839 1.00 0.00 C ATOM 1418 CG MET B 1 -13.213 -24.158 13.366 1.00 0.00 C ATOM 1419 SD MET B 1 -14.540 -24.568 12.202 1.00 0.00 S ATOM 1420 CE MET B 1 -13.501 -25.084 10.811 1.00 0.00 C ATOM 0 H1 MET B 1 -10.617 -23.382 13.950 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.464 -24.386 14.687 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.151 -24.832 13.200 1.00 0.00 H new ATOM 0 HA MET B 1 -11.830 -24.457 15.619 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.114 -25.981 12.988 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.258 -26.103 14.310 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.619 -23.615 14.219 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.486 -23.502 12.887 1.00 0.00 H new ATOM 0 HE1 MET B 1 -14.057 -24.972 9.880 1.00 0.00 H new ATOM 0 HE2 MET B 1 -12.606 -24.463 10.776 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.214 -26.128 10.939 1.00 0.00 H new ATOM 1432 N GLU B 2 -9.697 -26.788 14.972 1.00 0.00 N ATOM 1433 CA GLU B 2 -9.059 -27.989 15.496 1.00 0.00 C ATOM 1434 C GLU B 2 -8.629 -27.771 16.943 1.00 0.00 C ATOM 1435 O GLU B 2 -8.624 -28.706 17.743 1.00 0.00 O ATOM 1436 CB GLU B 2 -7.849 -28.361 14.635 1.00 0.00 C ATOM 1437 CG GLU B 2 -7.281 -29.703 15.101 1.00 0.00 C ATOM 1438 CD GLU B 2 -6.144 -30.136 14.181 1.00 0.00 C ATOM 1439 OE1 GLU B 2 -6.030 -29.572 13.105 1.00 0.00 O ATOM 1440 OE2 GLU B 2 -5.407 -31.029 14.564 1.00 0.00 O ATOM 0 H GLU B 2 -9.184 -26.326 14.221 1.00 0.00 H new ATOM 0 HA GLU B 2 -9.777 -28.808 15.466 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -8.141 -28.423 13.587 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -7.086 -27.586 14.708 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -6.918 -29.618 16.125 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.066 -30.459 15.103 1.00 0.00 H new ATOM 1447 N GLU B 3 -8.286 -26.523 17.269 1.00 0.00 N ATOM 1448 CA GLU B 3 -7.871 -26.158 18.624 1.00 0.00 C ATOM 1449 C GLU B 3 -7.054 -24.859 18.593 1.00 0.00 C ATOM 1450 O GLU B 3 -7.207 -24.015 19.475 1.00 0.00 O ATOM 1451 CB GLU B 3 -7.080 -27.307 19.310 1.00 0.00 C ATOM 1452 CG GLU B 3 -6.125 -26.755 20.382 1.00 0.00 C ATOM 1453 CD GLU B 3 -5.602 -27.890 21.256 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -5.313 -28.944 20.714 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -5.498 -27.688 22.455 1.00 0.00 O ATOM 0 H GLU B 3 -8.288 -25.745 16.609 1.00 0.00 H new ATOM 0 HA GLU B 3 -8.767 -25.990 19.221 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -7.776 -28.011 19.766 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -6.512 -27.860 18.562 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -5.291 -26.239 19.906 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -6.644 -26.021 20.998 1.00 0.00 H new ATOM 1462 N PRO B 4 -6.201 -24.670 17.612 1.00 0.00 N ATOM 1463 CA PRO B 4 -5.372 -23.429 17.513 1.00 0.00 C ATOM 1464 C PRO B 4 -6.250 -22.178 17.450 1.00 0.00 C ATOM 1465 O PRO B 4 -5.861 -21.118 17.929 1.00 0.00 O ATOM 1466 CB PRO B 4 -4.576 -23.619 16.205 1.00 0.00 C ATOM 1467 CG PRO B 4 -4.585 -25.092 15.957 1.00 0.00 C ATOM 1468 CD PRO B 4 -5.928 -25.589 16.492 1.00 0.00 C ATOM 0 HA PRO B 4 -4.727 -23.287 18.380 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -5.038 -23.077 15.380 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -3.558 -23.242 16.304 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -4.481 -25.312 14.894 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -3.755 -25.581 16.467 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.708 -25.541 15.732 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -5.871 -26.625 16.825 1.00 0.00 H new ATOM 1476 N GLN B 5 -7.416 -22.346 16.817 1.00 0.00 N ATOM 1477 CA GLN B 5 -8.409 -21.282 16.606 1.00 0.00 C ATOM 1478 C GLN B 5 -8.112 -20.552 15.302 1.00 0.00 C ATOM 1479 O GLN B 5 -7.077 -19.898 15.178 1.00 0.00 O ATOM 1480 CB GLN B 5 -8.451 -20.258 17.754 1.00 0.00 C ATOM 1481 CG GLN B 5 -8.803 -20.962 19.065 1.00 0.00 C ATOM 1482 CD GLN B 5 -8.733 -19.970 20.220 1.00 0.00 C ATOM 1483 OE1 GLN B 5 -8.463 -18.787 20.010 1.00 0.00 O ATOM 1484 NE2 GLN B 5 -8.962 -20.383 21.436 1.00 0.00 N ATOM 0 H GLN B 5 -7.704 -23.244 16.428 1.00 0.00 H new ATOM 0 HA GLN B 5 -9.384 -21.769 16.567 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -7.485 -19.761 17.846 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -9.188 -19.485 17.537 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -9.804 -21.390 19.001 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -8.114 -21.788 19.241 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -9.186 -21.363 21.608 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -8.918 -19.726 22.215 1.00 0.00 H new ATOM 1493 N SER B 6 -9.023 -20.692 14.330 1.00 0.00 N ATOM 1494 CA SER B 6 -8.877 -20.072 13.003 1.00 0.00 C ATOM 1495 C SER B 6 -7.867 -18.923 12.995 1.00 0.00 C ATOM 1496 O SER B 6 -8.113 -17.860 13.565 1.00 0.00 O ATOM 1497 CB SER B 6 -10.235 -19.544 12.538 1.00 0.00 C ATOM 1498 OG SER B 6 -10.098 -18.958 11.250 1.00 0.00 O ATOM 0 H SER B 6 -9.879 -21.236 14.439 1.00 0.00 H new ATOM 0 HA SER B 6 -8.504 -20.842 12.328 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.961 -20.356 12.505 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.613 -18.807 13.247 1.00 0.00 H new ATOM 0 HG SER B 6 -10.295 -18.000 11.304 1.00 0.00 H new ATOM 1504 N ASP B 7 -6.730 -19.155 12.342 1.00 0.00 N ATOM 1505 CA ASP B 7 -5.670 -18.150 12.247 1.00 0.00 C ATOM 1506 C ASP B 7 -5.742 -17.349 10.938 1.00 0.00 C ATOM 1507 O ASP B 7 -5.353 -16.182 10.910 1.00 0.00 O ATOM 1508 CB ASP B 7 -4.303 -18.827 12.350 1.00 0.00 C ATOM 1509 CG ASP B 7 -3.222 -17.777 12.573 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -3.041 -16.946 11.698 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -2.592 -17.817 13.617 1.00 0.00 O ATOM 0 H ASP B 7 -6.518 -20.033 11.869 1.00 0.00 H new ATOM 0 HA ASP B 7 -5.811 -17.453 13.073 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -4.303 -19.543 13.172 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -4.095 -19.388 11.439 1.00 0.00 H new ATOM 1516 N PRO B 8 -6.212 -17.934 9.859 1.00 0.00 N ATOM 1517 CA PRO B 8 -6.305 -17.225 8.543 1.00 0.00 C ATOM 1518 C PRO B 8 -7.055 -15.893 8.633 1.00 0.00 C ATOM 1519 O PRO B 8 -6.710 -14.937 7.941 1.00 0.00 O ATOM 1520 CB PRO B 8 -7.053 -18.225 7.645 1.00 0.00 C ATOM 1521 CG PRO B 8 -6.770 -19.560 8.247 1.00 0.00 C ATOM 1522 CD PRO B 8 -6.696 -19.322 9.754 1.00 0.00 C ATOM 0 HA PRO B 8 -5.321 -16.952 8.162 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -8.123 -18.018 7.627 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.701 -18.172 6.615 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -7.555 -20.275 8.001 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -5.834 -19.971 7.868 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -7.670 -19.445 10.228 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.015 -20.022 10.238 1.00 0.00 H new ATOM 1530 N SER B 9 -8.087 -15.831 9.481 1.00 0.00 N ATOM 1531 CA SER B 9 -8.873 -14.597 9.631 1.00 0.00 C ATOM 1532 C SER B 9 -8.488 -13.841 10.893 1.00 0.00 C ATOM 1533 O SER B 9 -8.800 -12.660 11.045 1.00 0.00 O ATOM 1534 CB SER B 9 -10.364 -14.928 9.665 1.00 0.00 C ATOM 1535 OG SER B 9 -10.646 -15.699 10.825 1.00 0.00 O ATOM 0 H SER B 9 -8.396 -16.607 10.067 1.00 0.00 H new ATOM 0 HA SER B 9 -8.658 -13.959 8.774 1.00 0.00 H new ATOM 0 HB2 SER B 9 -10.952 -14.010 9.672 1.00 0.00 H new ATOM 0 HB3 SER B 9 -10.646 -15.481 8.769 1.00 0.00 H new ATOM 0 HG SER B 9 -11.602 -15.912 10.852 1.00 0.00 H new ATOM 1541 N VAL B 10 -7.813 -14.531 11.791 1.00 0.00 N ATOM 1542 CA VAL B 10 -7.378 -13.934 13.055 1.00 0.00 C ATOM 1543 C VAL B 10 -5.889 -13.617 13.002 1.00 0.00 C ATOM 1544 O VAL B 10 -5.063 -14.438 13.399 1.00 0.00 O ATOM 1545 CB VAL B 10 -7.623 -14.919 14.192 1.00 0.00 C ATOM 1546 CG1 VAL B 10 -7.322 -14.250 15.534 1.00 0.00 C ATOM 1547 CG2 VAL B 10 -9.080 -15.382 14.166 1.00 0.00 C ATOM 0 H VAL B 10 -7.549 -15.510 11.675 1.00 0.00 H new ATOM 0 HA VAL B 10 -7.942 -13.016 13.220 1.00 0.00 H new ATOM 0 HB VAL B 10 -6.967 -15.780 14.066 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -7.499 -14.960 16.342 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -6.281 -13.929 15.555 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -7.971 -13.384 15.663 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -9.253 -16.086 14.980 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -9.738 -14.521 14.286 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -9.290 -15.869 13.214 1.00 0.00 H new ATOM 1557 N GLU B 11 -5.545 -12.438 12.489 1.00 0.00 N ATOM 1558 CA GLU B 11 -4.141 -12.044 12.366 1.00 0.00 C ATOM 1559 C GLU B 11 -3.801 -10.923 13.356 1.00 0.00 C ATOM 1560 O GLU B 11 -4.052 -9.754 13.070 1.00 0.00 O ATOM 1561 CB GLU B 11 -3.898 -11.566 10.935 1.00 0.00 C ATOM 1562 CG GLU B 11 -4.217 -12.716 9.964 1.00 0.00 C ATOM 1563 CD GLU B 11 -4.454 -12.166 8.560 1.00 0.00 C ATOM 1564 OE1 GLU B 11 -3.744 -11.254 8.174 1.00 0.00 O ATOM 1565 OE2 GLU B 11 -5.345 -12.668 7.892 1.00 0.00 O ATOM 0 H GLU B 11 -6.212 -11.743 12.154 1.00 0.00 H new ATOM 0 HA GLU B 11 -3.503 -12.898 12.594 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -4.525 -10.702 10.715 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -2.863 -11.248 10.815 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -3.393 -13.429 9.949 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -5.100 -13.256 10.305 1.00 0.00 H new ATOM 1572 N PRO B 12 -3.248 -11.245 14.512 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.895 -10.221 15.545 1.00 0.00 C ATOM 1574 C PRO B 12 -2.231 -8.977 14.938 1.00 0.00 C ATOM 1575 O PRO B 12 -1.052 -9.019 14.585 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.917 -10.975 16.450 1.00 0.00 C ATOM 1577 CG PRO B 12 -2.384 -12.392 16.397 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.889 -12.608 14.966 1.00 0.00 C ATOM 0 HA PRO B 12 -3.773 -9.836 16.064 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.891 -10.880 16.093 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.937 -10.587 17.468 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.573 -13.081 16.634 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -3.177 -12.571 17.123 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -2.121 -13.052 14.333 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.749 -13.278 14.941 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.941 -7.873 14.807 1.00 0.00 N ATOM 1587 CA PRO B 13 -2.354 -6.626 14.226 1.00 0.00 C ATOM 1588 C PRO B 13 -1.079 -6.207 14.957 1.00 0.00 C ATOM 1589 O PRO B 13 -1.060 -6.100 16.184 1.00 0.00 O ATOM 1590 CB PRO B 13 -3.469 -5.579 14.398 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.732 -6.371 14.495 1.00 0.00 C ATOM 1592 CD PRO B 13 -4.355 -7.683 15.183 1.00 0.00 C ATOM 0 HA PRO B 13 -2.054 -6.754 13.186 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -3.311 -4.977 15.293 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -3.498 -4.891 13.553 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -5.487 -5.833 15.068 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -5.154 -6.556 13.507 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -4.478 -7.619 16.264 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.977 -8.510 14.839 1.00 0.00 H new ATOM 1600 N LEU B 14 -0.015 -5.978 14.190 1.00 0.00 N ATOM 1601 CA LEU B 14 1.273 -5.576 14.757 1.00 0.00 C ATOM 1602 C LEU B 14 1.536 -4.100 14.476 1.00 0.00 C ATOM 1603 O LEU B 14 2.629 -3.600 14.734 1.00 0.00 O ATOM 1604 CB LEU B 14 2.388 -6.420 14.134 1.00 0.00 C ATOM 1605 CG LEU B 14 2.068 -7.912 14.302 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.134 -8.740 13.580 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.054 -8.287 15.791 1.00 0.00 C ATOM 0 H LEU B 14 -0.018 -6.064 13.174 1.00 0.00 H new ATOM 0 HA LEU B 14 1.250 -5.732 15.836 1.00 0.00 H new ATOM 0 HB2 LEU B 14 2.492 -6.178 13.076 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.341 -6.188 14.609 1.00 0.00 H new ATOM 0 HG LEU B 14 1.086 -8.117 13.876 1.00 0.00 H new ATOM 0 HD11 LEU B 14 2.911 -9.801 13.696 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.138 -8.484 12.520 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.113 -8.526 14.008 1.00 0.00 H new ATOM 0 HD21 LEU B 14 1.826 -9.348 15.897 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.031 -8.081 16.227 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.295 -7.699 16.307 1.00 0.00 H new ATOM 1619 N SER B 15 0.528 -3.421 13.924 1.00 0.00 N ATOM 1620 CA SER B 15 0.639 -2.002 13.577 1.00 0.00 C ATOM 1621 C SER B 15 1.235 -1.851 12.180 1.00 0.00 C ATOM 1622 O SER B 15 0.920 -0.908 11.454 1.00 0.00 O ATOM 1623 CB SER B 15 1.508 -1.252 14.600 1.00 0.00 C ATOM 1624 OG SER B 15 1.099 0.110 14.651 1.00 0.00 O ATOM 0 H SER B 15 -0.379 -3.834 13.707 1.00 0.00 H new ATOM 0 HA SER B 15 -0.361 -1.568 13.592 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.410 -1.711 15.584 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.559 -1.318 14.320 1.00 0.00 H new ATOM 0 HG SER B 15 1.649 0.593 15.303 1.00 0.00 H new ATOM 1630 N GLN B 16 2.098 -2.798 11.812 1.00 0.00 N ATOM 1631 CA GLN B 16 2.746 -2.795 10.504 1.00 0.00 C ATOM 1632 C GLN B 16 2.249 -3.980 9.700 1.00 0.00 C ATOM 1633 O GLN B 16 2.961 -4.520 8.853 1.00 0.00 O ATOM 1634 CB GLN B 16 4.264 -2.895 10.680 1.00 0.00 C ATOM 1635 CG GLN B 16 4.790 -1.602 11.305 1.00 0.00 C ATOM 1636 CD GLN B 16 6.298 -1.695 11.505 1.00 0.00 C ATOM 1637 OE1 GLN B 16 6.929 -2.648 11.048 1.00 0.00 O ATOM 1638 NE2 GLN B 16 6.917 -0.760 12.174 1.00 0.00 N ATOM 0 H GLN B 16 2.365 -3.582 12.408 1.00 0.00 H new ATOM 0 HA GLN B 16 2.507 -1.870 9.980 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.512 -3.746 11.315 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.742 -3.066 9.716 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.552 -0.755 10.662 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.298 -1.425 12.261 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.393 0.029 12.552 1.00 0.00 H new ATOM 0 HE22 GLN B 16 7.925 -0.819 12.319 1.00 0.00 H new ATOM 1647 N GLU B 17 1.021 -4.391 9.991 1.00 0.00 N ATOM 1648 CA GLU B 17 0.428 -5.530 9.312 1.00 0.00 C ATOM 1649 C GLU B 17 0.706 -5.471 7.813 1.00 0.00 C ATOM 1650 O GLU B 17 1.306 -6.387 7.252 1.00 0.00 O ATOM 1651 CB GLU B 17 -1.082 -5.559 9.566 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.694 -6.797 8.904 1.00 0.00 C ATOM 1653 CD GLU B 17 -3.175 -6.898 9.255 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.708 -5.930 9.771 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.752 -7.942 9.003 1.00 0.00 O ATOM 0 H GLU B 17 0.421 -3.953 10.690 1.00 0.00 H new ATOM 0 HA GLU B 17 0.876 -6.441 9.708 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.280 -5.573 10.638 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.545 -4.656 9.168 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.571 -6.739 7.822 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.171 -7.694 9.237 1.00 0.00 H new ATOM 1662 N THR B 18 0.273 -4.391 7.168 1.00 0.00 N ATOM 1663 CA THR B 18 0.499 -4.238 5.734 1.00 0.00 C ATOM 1664 C THR B 18 1.923 -3.809 5.447 1.00 0.00 C ATOM 1665 O THR B 18 2.622 -4.456 4.662 1.00 0.00 O ATOM 1666 CB THR B 18 -0.474 -3.216 5.145 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.794 -3.529 5.565 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.394 -3.257 3.619 1.00 0.00 C ATOM 0 H THR B 18 -0.229 -3.619 7.608 1.00 0.00 H new ATOM 0 HA THR B 18 0.328 -5.208 5.267 1.00 0.00 H new ATOM 0 HB THR B 18 -0.211 -2.217 5.491 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.420 -2.875 5.191 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.087 -2.529 3.199 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.621 -3.017 3.301 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.658 -4.254 3.267 1.00 0.00 H new ATOM 1676 N PHE B 19 2.351 -2.713 6.079 1.00 0.00 N ATOM 1677 CA PHE B 19 3.701 -2.200 5.870 1.00 0.00 C ATOM 1678 C PHE B 19 4.679 -3.352 5.734 1.00 0.00 C ATOM 1679 O PHE B 19 5.437 -3.439 4.753 1.00 0.00 O ATOM 1680 CB PHE B 19 4.105 -1.307 7.047 1.00 0.00 C ATOM 1681 CG PHE B 19 3.350 -0.003 6.961 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.048 0.080 7.460 1.00 0.00 C ATOM 1683 CD2 PHE B 19 3.952 1.121 6.381 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.343 1.285 7.375 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.247 2.327 6.297 1.00 0.00 C ATOM 1686 CZ PHE B 19 1.942 2.409 6.796 1.00 0.00 C ATOM 0 H PHE B 19 1.786 -2.171 6.733 1.00 0.00 H new ATOM 0 HA PHE B 19 3.720 -1.611 4.953 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.886 -1.807 7.991 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.179 -1.122 7.027 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.586 -0.786 7.911 1.00 0.00 H new ATOM 0 HD2 PHE B 19 4.960 1.057 5.999 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.335 1.348 7.757 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.709 3.193 5.848 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.398 3.340 6.734 1.00 0.00 H new ATOM 1696 N SER B 20 4.649 -4.235 6.739 1.00 0.00 N ATOM 1697 CA SER B 20 5.523 -5.402 6.777 1.00 0.00 C ATOM 1698 C SER B 20 5.813 -5.908 5.376 1.00 0.00 C ATOM 1699 O SER B 20 6.951 -5.917 4.930 1.00 0.00 O ATOM 1700 CB SER B 20 4.848 -6.517 7.579 1.00 0.00 C ATOM 1701 OG SER B 20 3.651 -6.910 6.922 1.00 0.00 O ATOM 0 H SER B 20 4.022 -4.158 7.540 1.00 0.00 H new ATOM 0 HA SER B 20 6.463 -5.112 7.247 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.520 -7.370 7.675 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.626 -6.171 8.588 1.00 0.00 H new ATOM 0 HG SER B 20 2.884 -6.480 7.355 1.00 0.00 H new ATOM 1707 N ASP B 21 4.764 -6.317 4.691 1.00 0.00 N ATOM 1708 CA ASP B 21 4.897 -6.833 3.343 1.00 0.00 C ATOM 1709 C ASP B 21 5.415 -5.786 2.357 1.00 0.00 C ATOM 1710 O ASP B 21 6.265 -6.084 1.525 1.00 0.00 O ATOM 1711 CB ASP B 21 3.535 -7.340 2.868 1.00 0.00 C ATOM 1712 CG ASP B 21 3.175 -8.632 3.592 1.00 0.00 C ATOM 1713 OD1 ASP B 21 4.026 -9.150 4.296 1.00 0.00 O ATOM 1714 OD2 ASP B 21 2.053 -9.082 3.435 1.00 0.00 O ATOM 0 H ASP B 21 3.808 -6.302 5.046 1.00 0.00 H new ATOM 0 HA ASP B 21 5.629 -7.640 3.372 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.772 -6.585 3.055 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.557 -7.511 1.792 1.00 0.00 H new ATOM 1719 N LEU B 22 4.866 -4.582 2.409 1.00 0.00 N ATOM 1720 CA LEU B 22 5.257 -3.550 1.458 1.00 0.00 C ATOM 1721 C LEU B 22 6.758 -3.529 1.178 1.00 0.00 C ATOM 1722 O LEU B 22 7.181 -3.811 0.055 1.00 0.00 O ATOM 1723 CB LEU B 22 4.833 -2.175 1.965 1.00 0.00 C ATOM 1724 CG LEU B 22 3.342 -2.169 2.314 1.00 0.00 C ATOM 1725 CD1 LEU B 22 2.908 -0.743 2.702 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.502 -2.650 1.116 1.00 0.00 C ATOM 0 H LEU B 22 4.160 -4.297 3.087 1.00 0.00 H new ATOM 0 HA LEU B 22 4.749 -3.791 0.524 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.419 -1.908 2.844 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.038 -1.421 1.205 1.00 0.00 H new ATOM 0 HG LEU B 22 3.179 -2.847 3.152 1.00 0.00 H new ATOM 0 HD11 LEU B 22 1.847 -0.741 2.950 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.483 -0.410 3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.087 -0.068 1.865 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.446 -2.638 1.384 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.668 -1.988 0.266 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.797 -3.665 0.849 1.00 0.00 H new ATOM 1738 N TRP B 23 7.568 -3.133 2.166 1.00 0.00 N ATOM 1739 CA TRP B 23 9.024 -3.020 1.931 1.00 0.00 C ATOM 1740 C TRP B 23 9.820 -4.307 2.227 1.00 0.00 C ATOM 1741 O TRP B 23 10.966 -4.409 1.794 1.00 0.00 O ATOM 1742 CB TRP B 23 9.609 -1.820 2.725 1.00 0.00 C ATOM 1743 CG TRP B 23 10.177 -2.264 4.036 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.491 -2.459 4.303 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.462 -2.580 5.250 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.619 -2.883 5.615 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.390 -2.973 6.240 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.105 -2.562 5.575 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 9.975 -3.341 7.519 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 7.679 -2.930 6.853 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.611 -3.323 7.827 1.00 0.00 C ATOM 0 H TRP B 23 7.261 -2.891 3.108 1.00 0.00 H new ATOM 0 HA TRP B 23 9.138 -2.848 0.861 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.386 -1.334 2.135 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.828 -1.079 2.896 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.304 -2.309 3.608 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.509 -3.101 6.064 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.380 -2.262 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 10.699 -3.637 8.264 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.626 -2.912 7.094 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.275 -3.611 8.812 1.00 0.00 H new ATOM 1762 N LYS B 24 9.264 -5.277 2.969 1.00 0.00 N ATOM 1763 CA LYS B 24 10.042 -6.498 3.275 1.00 0.00 C ATOM 1764 C LYS B 24 9.851 -7.605 2.235 1.00 0.00 C ATOM 1765 O LYS B 24 10.674 -8.517 2.161 1.00 0.00 O ATOM 1766 CB LYS B 24 9.704 -7.051 4.665 1.00 0.00 C ATOM 1767 CG LYS B 24 10.009 -5.986 5.728 1.00 0.00 C ATOM 1768 CD LYS B 24 10.040 -6.614 7.137 1.00 0.00 C ATOM 1769 CE LYS B 24 8.616 -6.807 7.685 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.578 -8.047 8.513 1.00 0.00 N ATOM 0 H LYS B 24 8.321 -5.250 3.356 1.00 0.00 H new ATOM 0 HA LYS B 24 11.087 -6.188 3.251 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.652 -7.334 4.710 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.285 -7.952 4.861 1.00 0.00 H new ATOM 0 HG2 LYS B 24 10.968 -5.515 5.513 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.253 -5.201 5.691 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.553 -7.575 7.100 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.610 -5.975 7.812 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.323 -5.945 8.284 1.00 0.00 H new ATOM 0 HE3 LYS B 24 7.903 -6.881 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 7.618 -8.185 8.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 8.842 -8.864 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.248 -7.958 9.303 1.00 0.00 H new ATOM 1784 N LEU B 25 8.799 -7.535 1.416 1.00 0.00 N ATOM 1785 CA LEU B 25 8.586 -8.559 0.384 1.00 0.00 C ATOM 1786 C LEU B 25 9.092 -8.051 -0.958 1.00 0.00 C ATOM 1787 O LEU B 25 8.608 -8.453 -2.015 1.00 0.00 O ATOM 1788 CB LEU B 25 7.100 -8.934 0.270 1.00 0.00 C ATOM 1789 CG LEU B 25 6.686 -9.896 1.404 1.00 0.00 C ATOM 1790 CD1 LEU B 25 5.170 -10.178 1.319 1.00 0.00 C ATOM 1791 CD2 LEU B 25 7.474 -11.227 1.303 1.00 0.00 C ATOM 0 H LEU B 25 8.094 -6.798 1.443 1.00 0.00 H new ATOM 0 HA LEU B 25 9.141 -9.452 0.672 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.489 -8.032 0.312 1.00 0.00 H new ATOM 0 HB3 LEU B 25 6.912 -9.402 -0.696 1.00 0.00 H new ATOM 0 HG LEU B 25 6.916 -9.428 2.361 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.881 -10.857 2.121 1.00 0.00 H new ATOM 0 HD12 LEU B 25 4.620 -9.243 1.420 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.938 -10.633 0.356 1.00 0.00 H new ATOM 0 HD21 LEU B 25 7.169 -11.893 2.110 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.266 -11.701 0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 25 8.542 -11.025 1.384 1.00 0.00 H new ATOM 1803 N LEU B 26 10.076 -7.166 -0.902 1.00 0.00 N ATOM 1804 CA LEU B 26 10.656 -6.607 -2.105 1.00 0.00 C ATOM 1805 C LEU B 26 11.464 -7.703 -2.861 1.00 0.00 C ATOM 1806 O LEU B 26 12.419 -8.263 -2.328 1.00 0.00 O ATOM 1807 CB LEU B 26 11.423 -5.304 -1.727 1.00 0.00 C ATOM 1808 CG LEU B 26 12.906 -5.529 -1.302 1.00 0.00 C ATOM 1809 CD1 LEU B 26 13.836 -4.796 -2.266 1.00 0.00 C ATOM 1810 CD2 LEU B 26 13.168 -4.973 0.117 1.00 0.00 C ATOM 0 H LEU B 26 10.487 -6.822 -0.034 1.00 0.00 H new ATOM 0 HA LEU B 26 9.904 -6.294 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU B 26 11.401 -4.624 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU B 26 10.895 -4.810 -0.911 1.00 0.00 H new ATOM 0 HG LEU B 26 13.094 -6.602 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU B 26 14.871 -4.956 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.688 -5.179 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.613 -3.729 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.210 -5.143 0.388 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.959 -3.903 0.133 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.520 -5.480 0.832 1.00 0.00 H new ATOM 1822 N PRO B 27 11.054 -8.084 -4.077 1.00 0.00 N ATOM 1823 CA PRO B 27 11.742 -9.167 -4.849 1.00 0.00 C ATOM 1824 C PRO B 27 13.259 -9.029 -4.808 1.00 0.00 C ATOM 1825 O PRO B 27 13.975 -10.032 -4.775 1.00 0.00 O ATOM 1826 CB PRO B 27 11.210 -9.002 -6.286 1.00 0.00 C ATOM 1827 CG PRO B 27 9.871 -8.354 -6.144 1.00 0.00 C ATOM 1828 CD PRO B 27 9.902 -7.553 -4.833 1.00 0.00 C ATOM 0 HA PRO B 27 11.538 -10.153 -4.432 1.00 0.00 H new ATOM 0 HB2 PRO B 27 11.882 -8.387 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.128 -9.966 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO B 27 9.666 -7.700 -6.992 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.080 -9.103 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.017 -6.487 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO B 27 8.974 -7.677 -4.274 1.00 0.00 H new ATOM 1836 N GLU B 28 13.735 -7.786 -4.765 1.00 0.00 N ATOM 1837 CA GLU B 28 15.169 -7.523 -4.686 1.00 0.00 C ATOM 1838 C GLU B 28 15.434 -6.021 -4.643 1.00 0.00 C ATOM 1839 O GLU B 28 14.793 -5.260 -5.366 1.00 0.00 O ATOM 1840 CB GLU B 28 15.908 -8.114 -5.895 1.00 0.00 C ATOM 1841 CG GLU B 28 17.411 -8.132 -5.614 1.00 0.00 C ATOM 1842 CD GLU B 28 17.732 -9.211 -4.587 1.00 0.00 C ATOM 1843 OE1 GLU B 28 16.916 -10.103 -4.422 1.00 0.00 O ATOM 1844 OE2 GLU B 28 18.788 -9.132 -3.982 1.00 0.00 O ATOM 0 H GLU B 28 13.151 -6.950 -4.783 1.00 0.00 H new ATOM 0 HA GLU B 28 15.536 -7.993 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU B 28 15.552 -9.125 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU B 28 15.701 -7.522 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU B 28 17.960 -8.320 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU B 28 17.733 -7.158 -5.245 1.00 0.00 H new ATOM 1851 N ASN B 29 16.405 -5.623 -3.804 1.00 0.00 N ATOM 1852 CA ASN B 29 16.829 -4.212 -3.646 1.00 0.00 C ATOM 1853 C ASN B 29 16.093 -3.301 -4.606 1.00 0.00 C ATOM 1854 O ASN B 29 16.476 -3.148 -5.766 1.00 0.00 O ATOM 1855 CB ASN B 29 18.337 -4.063 -3.848 1.00 0.00 C ATOM 1856 CG ASN B 29 18.764 -2.639 -3.498 1.00 0.00 C ATOM 1857 OD1 ASN B 29 18.252 -2.055 -2.543 1.00 0.00 O ATOM 1858 ND2 ASN B 29 19.672 -2.040 -4.220 1.00 0.00 N ATOM 0 H ASN B 29 16.924 -6.271 -3.211 1.00 0.00 H new ATOM 0 HA ASN B 29 16.579 -3.916 -2.627 1.00 0.00 H new ATOM 0 HB2 ASN B 29 18.870 -4.778 -3.221 1.00 0.00 H new ATOM 0 HB3 ASN B 29 18.599 -4.288 -4.882 1.00 0.00 H new ATOM 0 HD21 ASN B 29 19.958 -1.088 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN B 29 20.096 -2.525 -5.011 1.00 0.00 H new ATOM 1865 N ASN B 30 15.004 -2.751 -4.090 1.00 0.00 N ATOM 1866 CA ASN B 30 14.112 -1.872 -4.835 1.00 0.00 C ATOM 1867 C ASN B 30 14.810 -1.196 -6.014 1.00 0.00 C ATOM 1868 O ASN B 30 16.001 -0.881 -5.959 1.00 0.00 O ATOM 1869 CB ASN B 30 13.555 -0.811 -3.884 1.00 0.00 C ATOM 1870 CG ASN B 30 12.511 -1.434 -2.957 1.00 0.00 C ATOM 1871 OD1 ASN B 30 11.528 -2.126 -3.463 1.00 0.00 O flip ATOM 1872 ND2 ASN B 30 12.593 -1.280 -1.737 1.00 0.00 N flip ATOM 0 H ASN B 30 14.709 -2.905 -3.126 1.00 0.00 H new ATOM 0 HA ASN B 30 13.307 -2.480 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN B 30 14.364 -0.378 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN B 30 13.107 0.002 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN B 30 13.362 -0.739 -1.342 1.00 0.00 H new ATOM 0 HD22 ASN B 30 11.892 -1.694 -1.122 1.00 0.00 H new ATOM 1879 N VAL B 31 14.050 -0.982 -7.082 1.00 0.00 N ATOM 1880 CA VAL B 31 14.588 -0.354 -8.296 1.00 0.00 C ATOM 1881 C VAL B 31 14.062 1.075 -8.413 1.00 0.00 C ATOM 1882 O VAL B 31 12.856 1.309 -8.335 1.00 0.00 O ATOM 1883 CB VAL B 31 14.188 -1.175 -9.538 1.00 0.00 C ATOM 1884 CG1 VAL B 31 14.610 -0.439 -10.809 1.00 0.00 C ATOM 1885 CG2 VAL B 31 14.896 -2.532 -9.475 1.00 0.00 C ATOM 0 H VAL B 31 13.062 -1.231 -7.138 1.00 0.00 H new ATOM 0 HA VAL B 31 15.676 -0.327 -8.233 1.00 0.00 H new ATOM 0 HB VAL B 31 13.107 -1.314 -9.554 1.00 0.00 H new ATOM 0 HG11 VAL B 31 14.324 -1.026 -11.682 1.00 0.00 H new ATOM 0 HG12 VAL B 31 14.117 0.532 -10.848 1.00 0.00 H new ATOM 0 HG13 VAL B 31 15.691 -0.298 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL B 31 14.623 -3.126 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL B 31 15.975 -2.379 -9.463 1.00 0.00 H new ATOM 0 HG23 VAL B 31 14.594 -3.058 -8.569 1.00 0.00 H new ATOM 1895 N LEU B 32 14.976 2.031 -8.577 1.00 0.00 N ATOM 1896 CA LEU B 32 14.599 3.441 -8.680 1.00 0.00 C ATOM 1897 C LEU B 32 14.500 3.872 -10.137 1.00 0.00 C ATOM 1898 O LEU B 32 14.074 4.992 -10.419 1.00 0.00 O ATOM 1899 CB LEU B 32 15.647 4.302 -7.968 1.00 0.00 C ATOM 1900 CG LEU B 32 15.674 3.982 -6.464 1.00 0.00 C ATOM 1901 CD1 LEU B 32 16.934 4.597 -5.849 1.00 0.00 C ATOM 1902 CD2 LEU B 32 14.432 4.560 -5.760 1.00 0.00 C ATOM 0 H LEU B 32 15.979 1.856 -8.641 1.00 0.00 H new ATOM 0 HA LEU B 32 13.624 3.573 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU B 32 16.630 4.122 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU B 32 15.421 5.358 -8.117 1.00 0.00 H new ATOM 0 HG LEU B 32 15.675 2.900 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU B 32 16.963 4.376 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU B 32 17.817 4.176 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU B 32 16.920 5.677 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU B 32 14.472 4.322 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU B 32 14.412 5.642 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.532 4.126 -6.195 1.00 0.00 H new ATOM 1914 N SER B 33 14.895 2.971 -11.048 1.00 0.00 N ATOM 1915 CA SER B 33 14.861 3.234 -12.498 1.00 0.00 C ATOM 1916 C SER B 33 13.869 4.348 -12.850 1.00 0.00 C ATOM 1917 O SER B 33 12.713 4.075 -13.174 1.00 0.00 O ATOM 1918 CB SER B 33 14.462 1.957 -13.238 1.00 0.00 C ATOM 1919 OG SER B 33 14.523 2.187 -14.639 1.00 0.00 O ATOM 0 H SER B 33 15.245 2.044 -10.805 1.00 0.00 H new ATOM 0 HA SER B 33 15.857 3.557 -12.802 1.00 0.00 H new ATOM 0 HB2 SER B 33 15.129 1.140 -12.963 1.00 0.00 H new ATOM 0 HB3 SER B 33 13.454 1.656 -12.951 1.00 0.00 H new ATOM 0 HG SER B 33 14.269 1.369 -15.116 1.00 0.00 H new ATOM 1925 N PRO B 34 14.288 5.591 -12.771 1.00 0.00 N ATOM 1926 CA PRO B 34 13.400 6.756 -13.072 1.00 0.00 C ATOM 1927 C PRO B 34 12.883 6.733 -14.508 1.00 0.00 C ATOM 1928 O PRO B 34 13.572 6.277 -15.421 1.00 0.00 O ATOM 1929 CB PRO B 34 14.292 7.990 -12.814 1.00 0.00 C ATOM 1930 CG PRO B 34 15.442 7.489 -11.996 1.00 0.00 C ATOM 1931 CD PRO B 34 15.646 6.032 -12.401 1.00 0.00 C ATOM 0 HA PRO B 34 12.502 6.751 -12.455 1.00 0.00 H new ATOM 0 HB2 PRO B 34 14.638 8.427 -13.751 1.00 0.00 H new ATOM 0 HB3 PRO B 34 13.742 8.767 -12.283 1.00 0.00 H new ATOM 0 HG2 PRO B 34 16.341 8.076 -12.186 1.00 0.00 H new ATOM 0 HG3 PRO B 34 15.227 7.571 -10.930 1.00 0.00 H new ATOM 0 HD2 PRO B 34 16.341 5.940 -13.236 1.00 0.00 H new ATOM 0 HD3 PRO B 34 16.052 5.439 -11.581 1.00 0.00 H new ATOM 1939 N LEU B 35 11.669 7.244 -14.699 1.00 0.00 N ATOM 1940 CA LEU B 35 11.061 7.299 -16.028 1.00 0.00 C ATOM 1941 C LEU B 35 11.198 8.714 -16.591 1.00 0.00 C ATOM 1942 O LEU B 35 11.155 9.685 -15.835 1.00 0.00 O ATOM 1943 CB LEU B 35 9.576 6.932 -15.939 1.00 0.00 C ATOM 1944 CG LEU B 35 9.407 5.627 -15.156 1.00 0.00 C ATOM 1945 CD1 LEU B 35 7.922 5.257 -15.110 1.00 0.00 C ATOM 1946 CD2 LEU B 35 10.197 4.503 -15.843 1.00 0.00 C ATOM 0 H LEU B 35 11.087 7.625 -13.953 1.00 0.00 H new ATOM 0 HA LEU B 35 11.568 6.590 -16.683 1.00 0.00 H new ATOM 0 HB2 LEU B 35 9.023 7.734 -15.450 1.00 0.00 H new ATOM 0 HB3 LEU B 35 9.159 6.822 -16.940 1.00 0.00 H new ATOM 0 HG LEU B 35 9.784 5.759 -14.142 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.795 4.328 -14.554 1.00 0.00 H new ATOM 0 HD12 LEU B 35 7.364 6.054 -14.618 1.00 0.00 H new ATOM 0 HD13 LEU B 35 7.548 5.125 -16.125 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.074 3.576 -15.282 1.00 0.00 H new ATOM 0 HD22 LEU B 35 9.825 4.365 -16.858 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.254 4.769 -15.877 1.00 0.00 H new ATOM 1958 N PRO B 36 11.360 8.864 -17.884 1.00 0.00 N ATOM 1959 CA PRO B 36 11.500 10.213 -18.504 1.00 0.00 C ATOM 1960 C PRO B 36 10.199 11.005 -18.394 1.00 0.00 C ATOM 1961 O PRO B 36 9.120 10.447 -18.590 1.00 0.00 O ATOM 1962 CB PRO B 36 11.865 9.905 -19.966 1.00 0.00 C ATOM 1963 CG PRO B 36 11.307 8.543 -20.221 1.00 0.00 C ATOM 1964 CD PRO B 36 11.419 7.790 -18.894 1.00 0.00 C ATOM 0 HA PRO B 36 12.250 10.834 -18.014 1.00 0.00 H new ATOM 0 HB2 PRO B 36 11.435 10.642 -20.644 1.00 0.00 H new ATOM 0 HB3 PRO B 36 12.944 9.925 -20.117 1.00 0.00 H new ATOM 0 HG2 PRO B 36 10.270 8.601 -20.551 1.00 0.00 H new ATOM 0 HG3 PRO B 36 11.864 8.034 -21.008 1.00 0.00 H new ATOM 0 HD2 PRO B 36 10.606 7.075 -18.768 1.00 0.00 H new ATOM 0 HD3 PRO B 36 12.351 7.228 -18.829 1.00 0.00 H new ATOM 1972 N SER B 37 10.325 12.300 -18.068 1.00 0.00 N ATOM 1973 CA SER B 37 9.182 13.206 -17.907 1.00 0.00 C ATOM 1974 C SER B 37 7.932 12.666 -18.570 1.00 0.00 C ATOM 1975 O SER B 37 7.266 11.771 -18.045 1.00 0.00 O ATOM 1976 CB SER B 37 9.538 14.568 -18.508 1.00 0.00 C ATOM 1977 OG SER B 37 10.601 15.144 -17.762 1.00 0.00 O ATOM 0 H SER B 37 11.227 12.748 -17.908 1.00 0.00 H new ATOM 0 HA SER B 37 8.971 13.301 -16.842 1.00 0.00 H new ATOM 0 HB2 SER B 37 9.831 14.453 -19.552 1.00 0.00 H new ATOM 0 HB3 SER B 37 8.668 15.225 -18.491 1.00 0.00 H new ATOM 0 HG SER B 37 10.834 16.016 -18.144 1.00 0.00 H new ATOM 1983 N GLN B 38 7.628 13.212 -19.723 1.00 0.00 N ATOM 1984 CA GLN B 38 6.465 12.787 -20.484 1.00 0.00 C ATOM 1985 C GLN B 38 6.898 11.907 -21.649 1.00 0.00 C ATOM 1986 O GLN B 38 7.793 12.272 -22.412 1.00 0.00 O ATOM 1987 CB GLN B 38 5.710 14.006 -21.013 1.00 0.00 C ATOM 1988 CG GLN B 38 4.433 13.544 -21.715 1.00 0.00 C ATOM 1989 CD GLN B 38 3.613 14.751 -22.157 1.00 0.00 C ATOM 1990 OE1 GLN B 38 3.784 15.846 -21.622 1.00 0.00 O ATOM 1991 NE2 GLN B 38 2.731 14.617 -23.108 1.00 0.00 N ATOM 0 H GLN B 38 8.170 13.956 -20.162 1.00 0.00 H new ATOM 0 HA GLN B 38 5.807 12.216 -19.829 1.00 0.00 H new ATOM 0 HB2 GLN B 38 5.464 14.680 -20.192 1.00 0.00 H new ATOM 0 HB3 GLN B 38 6.338 14.564 -21.707 1.00 0.00 H new ATOM 0 HG2 GLN B 38 4.686 12.930 -22.579 1.00 0.00 H new ATOM 0 HG3 GLN B 38 3.844 12.921 -21.042 1.00 0.00 H new ATOM 0 HE21 GLN B 38 2.591 13.708 -23.550 1.00 0.00 H new ATOM 0 HE22 GLN B 38 2.181 15.421 -23.410 1.00 0.00 H new ATOM 2000 N ALA B 39 6.262 10.746 -21.783 1.00 0.00 N ATOM 2001 CA ALA B 39 6.592 9.816 -22.864 1.00 0.00 C ATOM 2002 C ALA B 39 5.564 9.913 -23.986 1.00 0.00 C ATOM 2003 O ALA B 39 5.153 11.020 -24.293 1.00 0.00 O ATOM 2004 CB ALA B 39 6.626 8.383 -22.327 1.00 0.00 C ATOM 2005 OXT ALA B 39 5.202 8.879 -24.523 1.00 0.00 O ATOM 0 H ALA B 39 5.519 10.426 -21.161 1.00 0.00 H new ATOM 0 HA ALA B 39 7.573 10.081 -23.259 1.00 0.00 H new ATOM 0 HB1 ALA B 39 6.872 7.697 -23.137 1.00 0.00 H new ATOM 0 HB2 ALA B 39 7.380 8.306 -21.544 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.650 8.125 -21.917 1.00 0.00 H new TER 2011 ALA B 39