USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 52 ASN : amide:sc= -0.805 K(o=0.33,f=-0.98) USER MOD Set 1.2: A 67 TYR OH : rot -141:sc= 1.09 USER MOD Set 1.3: A 78 THR OG1 : rot 114:sc= 0.0458 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 172:sc= 1.49 (180deg=0.0661) USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 0.887 USER MOD Single : A 1 GLY N :NH3+ -116:sc= -0.96 (180deg=-5.05!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.792) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00435 X(o=-0.0044,f=-0.0044) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc=-0.00892 (180deg=-0.165) USER MOD Single : A 26 HIS : no HD1:sc=-0.00764 X(o=-0.0076,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.16) USER MOD Single : A 33 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.017) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -123:sc= 1.73 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 103:sc= 1.58 USER MOD Single : A 48 TYR OH : rot -15:sc= 0.38 USER MOD Single : A 49 THR OG1 : rot 41:sc= 0.214 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.937) USER MOD Single : A 54 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.896) USER MOD Single : A 63 THR OG1 : rot -170:sc= -0.0481 USER MOD Single : A 65 MET CE :methyl 163:sc= -0.094 (180deg=-0.976) USER MOD Single : A 70 ASN : amide:sc= -0.757 K(o=-0.76,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.272 (180deg=-0.272) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.153) USER MOD Single : A 89 THR OG1 : rot -94:sc= -0.0138 USER MOD Single : A 97 TYR OH : rot -138:sc= 1.03 USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= -0.548 (180deg=-1.71!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -85:sc= 1.08 USER MOD Single : A 103 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.99) USER MOD Single : A 105 HEC O2A : rot -70:sc= -0.0995 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.198 10.241 2.779 1.00 0.00 N ATOM 2 CA GLY A 1 -11.265 10.341 4.233 1.00 0.00 C ATOM 3 C GLY A 1 -10.745 11.729 4.568 1.00 0.00 C ATOM 4 O GLY A 1 -10.924 12.618 3.738 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.158 10.139 2.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.759 11.100 2.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.629 9.412 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.287 10.208 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.659 9.569 4.708 1.00 0.00 H new ATOM 10 N ASP A 2 -10.092 11.896 5.707 1.00 0.00 N ATOM 11 CA ASP A 2 -9.591 13.171 6.201 1.00 0.00 C ATOM 12 C ASP A 2 -8.369 13.648 5.417 1.00 0.00 C ATOM 13 O ASP A 2 -8.074 14.838 5.470 1.00 0.00 O ATOM 14 CB ASP A 2 -9.219 13.073 7.695 1.00 0.00 C ATOM 15 CG ASP A 2 -10.335 13.499 8.640 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.836 14.627 8.457 1.00 0.00 O ATOM 17 OD2 ASP A 2 -10.621 12.725 9.580 1.00 0.00 O ATOM 0 H ASP A 2 -9.888 11.120 6.337 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.395 13.895 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.937 12.045 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.342 13.693 7.882 1.00 0.00 H new ATOM 22 N VAL A 3 -7.577 12.738 4.823 1.00 0.00 N ATOM 23 CA VAL A 3 -6.271 12.957 4.189 1.00 0.00 C ATOM 24 C VAL A 3 -5.188 13.155 5.264 1.00 0.00 C ATOM 25 O VAL A 3 -4.054 12.700 5.107 1.00 0.00 O ATOM 26 CB VAL A 3 -6.338 14.084 3.138 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.970 14.519 2.594 1.00 0.00 C ATOM 28 CG2 VAL A 3 -7.226 13.724 1.944 1.00 0.00 C ATOM 0 H VAL A 3 -7.857 11.758 4.771 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.984 12.068 3.627 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.771 14.917 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.106 15.314 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.351 14.883 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.480 13.669 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.237 14.553 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.833 12.833 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.241 13.530 2.291 1.00 0.00 H new ATOM 38 N GLU A 4 -5.548 13.794 6.377 1.00 0.00 N ATOM 39 CA GLU A 4 -4.723 13.970 7.553 1.00 0.00 C ATOM 40 C GLU A 4 -4.656 12.679 8.351 1.00 0.00 C ATOM 41 O GLU A 4 -3.575 12.215 8.708 1.00 0.00 O ATOM 42 CB GLU A 4 -5.297 15.096 8.418 1.00 0.00 C ATOM 43 CG GLU A 4 -4.889 16.469 7.865 1.00 0.00 C ATOM 44 CD GLU A 4 -3.427 16.780 8.170 1.00 0.00 C ATOM 45 OE1 GLU A 4 -3.055 16.741 9.360 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.646 16.962 7.210 1.00 0.00 O ATOM 0 H GLU A 4 -6.469 14.220 6.479 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.713 14.235 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.384 15.019 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.941 14.991 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.050 16.491 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.525 17.241 8.298 1.00 0.00 H new ATOM 53 N LYS A 5 -5.818 12.105 8.665 1.00 0.00 N ATOM 54 CA LYS A 5 -5.825 10.910 9.483 1.00 0.00 C ATOM 55 C LYS A 5 -5.148 9.769 8.739 1.00 0.00 C ATOM 56 O LYS A 5 -4.429 9.013 9.379 1.00 0.00 O ATOM 57 CB LYS A 5 -7.221 10.561 9.998 1.00 0.00 C ATOM 58 CG LYS A 5 -7.735 11.728 10.848 1.00 0.00 C ATOM 59 CD LYS A 5 -8.888 11.303 11.758 1.00 0.00 C ATOM 60 CE LYS A 5 -9.365 12.535 12.540 1.00 0.00 C ATOM 61 NZ LYS A 5 -10.430 12.206 13.503 1.00 0.00 N ATOM 0 H LYS A 5 -6.736 12.441 8.372 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.243 11.103 10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.897 10.375 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.188 9.647 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.920 12.123 11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.066 12.535 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.705 10.889 11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.562 10.521 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.521 12.975 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.730 13.288 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.720 13.068 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.247 11.810 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.076 11.507 14.187 1.00 0.00 H new ATOM 75 N GLY A 6 -5.300 9.671 7.414 1.00 0.00 N ATOM 76 CA GLY A 6 -4.652 8.608 6.645 1.00 0.00 C ATOM 77 C GLY A 6 -3.175 8.476 7.014 1.00 0.00 C ATOM 78 O GLY A 6 -2.742 7.423 7.481 1.00 0.00 O ATOM 0 H GLY A 6 -5.864 10.312 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.161 7.662 6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.745 8.819 5.580 1.00 0.00 H new ATOM 82 N LYS A 7 -2.402 9.554 6.855 1.00 0.00 N ATOM 83 CA LYS A 7 -0.961 9.508 7.079 1.00 0.00 C ATOM 84 C LYS A 7 -0.597 9.186 8.523 1.00 0.00 C ATOM 85 O LYS A 7 0.366 8.469 8.790 1.00 0.00 O ATOM 86 CB LYS A 7 -0.263 10.748 6.506 1.00 0.00 C ATOM 87 CG LYS A 7 -0.489 11.985 7.351 1.00 0.00 C ATOM 88 CD LYS A 7 -0.177 13.284 6.586 1.00 0.00 C ATOM 89 CE LYS A 7 -1.074 14.426 7.091 1.00 0.00 C ATOM 90 NZ LYS A 7 -0.379 15.702 7.341 1.00 0.00 N ATOM 0 H LYS A 7 -2.754 10.468 6.572 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.566 8.664 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.807 10.555 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.627 10.931 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.525 12.006 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.137 11.932 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.872 13.550 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.335 13.133 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.864 14.597 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.558 14.106 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.040 16.492 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.029 15.721 8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.423 15.795 6.685 1.00 0.00 H new ATOM 104 N LYS A 8 -1.387 9.702 9.461 1.00 0.00 N ATOM 105 CA LYS A 8 -1.097 9.574 10.876 1.00 0.00 C ATOM 106 C LYS A 8 -1.381 8.148 11.346 1.00 0.00 C ATOM 107 O LYS A 8 -0.593 7.564 12.091 1.00 0.00 O ATOM 108 CB LYS A 8 -1.903 10.636 11.642 1.00 0.00 C ATOM 109 CG LYS A 8 -1.328 10.991 13.022 1.00 0.00 C ATOM 110 CD LYS A 8 -0.247 12.089 12.995 1.00 0.00 C ATOM 111 CE LYS A 8 1.103 11.625 12.420 1.00 0.00 C ATOM 112 NZ LYS A 8 2.212 12.548 12.741 1.00 0.00 N ATOM 0 H LYS A 8 -2.243 10.218 9.257 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.040 9.753 11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.954 11.542 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.925 10.279 11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.143 11.315 13.670 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.905 10.091 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.612 12.929 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.091 12.456 14.009 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.337 10.634 12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.018 11.530 11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.096 12.186 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.006 13.488 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.316 12.620 13.773 1.00 0.00 H new ATOM 126 N ILE A 9 -2.503 7.583 10.897 1.00 0.00 N ATOM 127 CA ILE A 9 -2.908 6.242 11.289 1.00 0.00 C ATOM 128 C ILE A 9 -2.005 5.242 10.563 1.00 0.00 C ATOM 129 O ILE A 9 -1.600 4.235 11.141 1.00 0.00 O ATOM 130 CB ILE A 9 -4.430 6.071 11.066 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.135 6.056 12.433 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.803 4.830 10.254 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.654 5.887 12.330 1.00 0.00 C ATOM 0 H ILE A 9 -3.149 8.043 10.256 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.770 6.053 12.354 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.765 6.918 10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.726 5.245 13.036 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.915 6.986 12.958 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.886 4.781 10.141 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.338 4.886 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.451 3.937 10.771 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.088 5.885 13.330 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.074 6.712 11.754 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.882 4.944 11.833 1.00 0.00 H new ATOM 145 N PHE A 10 -1.659 5.550 9.312 1.00 0.00 N ATOM 146 CA PHE A 10 -0.668 4.815 8.552 1.00 0.00 C ATOM 147 C PHE A 10 0.633 4.725 9.335 1.00 0.00 C ATOM 148 O PHE A 10 1.028 3.638 9.736 1.00 0.00 O ATOM 149 CB PHE A 10 -0.468 5.527 7.203 1.00 0.00 C ATOM 150 CG PHE A 10 0.741 5.107 6.399 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.999 5.702 6.590 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.617 4.046 5.505 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.141 5.170 5.976 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.753 3.505 4.891 1.00 0.00 C ATOM 155 CZ PHE A 10 3.014 4.055 5.135 1.00 0.00 C ATOM 0 H PHE A 10 -2.070 6.330 8.798 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.006 3.795 8.370 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.357 5.364 6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.401 6.599 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.087 6.578 7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.359 3.639 5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.110 5.615 6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.654 2.659 4.226 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.890 3.622 4.676 1.00 0.00 H new ATOM 165 N VAL A 11 1.303 5.850 9.577 1.00 0.00 N ATOM 166 CA VAL A 11 2.604 5.832 10.230 1.00 0.00 C ATOM 167 C VAL A 11 2.559 5.035 11.544 1.00 0.00 C ATOM 168 O VAL A 11 3.502 4.316 11.862 1.00 0.00 O ATOM 169 CB VAL A 11 3.177 7.263 10.359 1.00 0.00 C ATOM 170 CG1 VAL A 11 3.824 7.549 11.718 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.227 7.541 9.274 1.00 0.00 C ATOM 0 H VAL A 11 0.966 6.781 9.331 1.00 0.00 H new ATOM 0 HA VAL A 11 3.313 5.294 9.601 1.00 0.00 H new ATOM 0 HB VAL A 11 2.313 7.918 10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.202 8.571 11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.083 7.425 12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.648 6.855 11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.611 8.554 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.047 6.829 9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.770 7.438 8.290 1.00 0.00 H new ATOM 181 N GLN A 12 1.453 5.117 12.290 1.00 0.00 N ATOM 182 CA GLN A 12 1.257 4.344 13.499 1.00 0.00 C ATOM 183 C GLN A 12 1.347 2.821 13.296 1.00 0.00 C ATOM 184 O GLN A 12 1.800 2.143 14.216 1.00 0.00 O ATOM 185 CB GLN A 12 -0.084 4.763 14.113 1.00 0.00 C ATOM 186 CG GLN A 12 0.048 5.962 15.058 1.00 0.00 C ATOM 187 CD GLN A 12 0.599 5.536 16.414 1.00 0.00 C ATOM 188 OE1 GLN A 12 -0.122 4.956 17.219 1.00 0.00 O ATOM 189 NE2 GLN A 12 1.873 5.807 16.685 1.00 0.00 N ATOM 0 H GLN A 12 0.669 5.729 12.062 1.00 0.00 H new ATOM 0 HA GLN A 12 2.078 4.564 14.182 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.783 5.010 13.314 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.508 3.920 14.659 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.706 6.708 14.613 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.926 6.434 15.190 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.449 6.291 15.996 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.274 5.531 17.582 1.00 0.00 H new ATOM 198 N LYS A 13 0.888 2.257 12.167 1.00 0.00 N ATOM 199 CA LYS A 13 0.836 0.795 11.997 1.00 0.00 C ATOM 200 C LYS A 13 1.178 0.242 10.605 1.00 0.00 C ATOM 201 O LYS A 13 0.961 -0.942 10.349 1.00 0.00 O ATOM 202 CB LYS A 13 -0.512 0.267 12.482 1.00 0.00 C ATOM 203 CG LYS A 13 -1.708 0.944 11.818 1.00 0.00 C ATOM 204 CD LYS A 13 -2.463 1.793 12.844 1.00 0.00 C ATOM 205 CE LYS A 13 -3.270 0.907 13.810 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.998 1.705 14.817 1.00 0.00 N ATOM 0 H LYS A 13 0.550 2.786 11.363 1.00 0.00 H new ATOM 0 HA LYS A 13 1.652 0.420 12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.562 -0.806 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.580 0.405 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.370 1.571 10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.374 0.192 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.756 2.401 13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.134 2.480 12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.980 0.305 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.597 0.214 14.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.528 1.069 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.320 2.260 15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.660 2.348 14.338 1.00 0.00 H new ATOM 220 N CYS A 14 1.729 1.066 9.721 1.00 0.00 N ATOM 221 CA CYS A 14 2.153 0.673 8.383 1.00 0.00 C ATOM 222 C CYS A 14 3.660 0.928 8.271 1.00 0.00 C ATOM 223 O CYS A 14 4.401 0.061 7.821 1.00 0.00 O ATOM 224 CB CYS A 14 1.407 1.454 7.329 1.00 0.00 C ATOM 225 SG CYS A 14 -0.421 1.397 7.364 1.00 0.00 S ATOM 0 H CYS A 14 1.897 2.052 9.921 1.00 0.00 H new ATOM 0 HA CYS A 14 1.934 -0.382 8.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.712 2.498 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.735 1.098 6.352 1.00 0.00 H new ATOM 230 N ALA A 15 4.126 2.110 8.703 1.00 0.00 N ATOM 231 CA ALA A 15 5.513 2.564 8.570 1.00 0.00 C ATOM 232 C ALA A 15 6.571 1.611 9.105 1.00 0.00 C ATOM 233 O ALA A 15 7.664 1.567 8.549 1.00 0.00 O ATOM 234 CB ALA A 15 5.697 3.927 9.207 1.00 0.00 C ATOM 0 H ALA A 15 3.528 2.794 9.167 1.00 0.00 H new ATOM 0 HA ALA A 15 5.675 2.610 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.734 4.243 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.043 4.649 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.446 3.870 10.266 1.00 0.00 H new ATOM 240 N GLN A 16 6.270 0.860 10.167 1.00 0.00 N ATOM 241 CA GLN A 16 7.136 -0.202 10.658 1.00 0.00 C ATOM 242 C GLN A 16 7.681 -1.043 9.494 1.00 0.00 C ATOM 243 O GLN A 16 8.849 -1.428 9.495 1.00 0.00 O ATOM 244 CB GLN A 16 6.337 -1.045 11.664 1.00 0.00 C ATOM 245 CG GLN A 16 7.222 -1.562 12.798 1.00 0.00 C ATOM 246 CD GLN A 16 8.208 -2.641 12.359 1.00 0.00 C ATOM 247 OE1 GLN A 16 9.419 -2.477 12.475 1.00 0.00 O ATOM 248 NE2 GLN A 16 7.697 -3.767 11.868 1.00 0.00 N ATOM 0 H GLN A 16 5.414 0.976 10.709 1.00 0.00 H new ATOM 0 HA GLN A 16 8.006 0.218 11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.527 -0.445 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.877 -1.888 11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.777 -0.726 13.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.588 -1.961 13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.686 -3.874 11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.316 -4.523 11.576 1.00 0.00 H new ATOM 257 N CYS A 17 6.826 -1.288 8.498 1.00 0.00 N ATOM 258 CA CYS A 17 7.176 -1.919 7.242 1.00 0.00 C ATOM 259 C CYS A 17 7.477 -0.868 6.151 1.00 0.00 C ATOM 260 O CYS A 17 8.466 -1.014 5.438 1.00 0.00 O ATOM 261 CB CYS A 17 6.079 -2.884 6.853 1.00 0.00 C ATOM 262 SG CYS A 17 5.899 -4.227 8.082 1.00 0.00 S ATOM 0 H CYS A 17 5.838 -1.040 8.555 1.00 0.00 H new ATOM 0 HA CYS A 17 8.098 -2.489 7.357 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.136 -2.346 6.760 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.299 -3.312 5.875 1.00 0.00 H new ATOM 267 N HIS A 18 6.658 0.187 6.000 1.00 0.00 N ATOM 268 CA HIS A 18 6.669 1.079 4.833 1.00 0.00 C ATOM 269 C HIS A 18 7.027 2.517 5.194 1.00 0.00 C ATOM 270 O HIS A 18 6.140 3.345 5.378 1.00 0.00 O ATOM 271 CB HIS A 18 5.274 1.115 4.210 1.00 0.00 C ATOM 272 CG HIS A 18 4.861 -0.162 3.564 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.131 -0.510 2.264 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.868 -0.974 4.032 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.320 -1.531 1.960 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.544 -1.862 3.001 1.00 0.00 N ATOM 0 H HIS A 18 5.960 0.446 6.697 1.00 0.00 H new ATOM 0 HA HIS A 18 7.421 0.685 4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.549 1.369 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.240 1.912 3.468 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.817 -0.075 1.648 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.418 -0.938 5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.295 -2.024 1.000 1.00 0.00 H new ATOM 284 N THR A 19 8.302 2.882 5.231 1.00 0.00 N ATOM 285 CA THR A 19 8.687 4.206 5.700 1.00 0.00 C ATOM 286 C THR A 19 8.530 5.315 4.630 1.00 0.00 C ATOM 287 O THR A 19 9.387 6.193 4.495 1.00 0.00 O ATOM 288 CB THR A 19 10.092 4.097 6.297 1.00 0.00 C ATOM 289 OG1 THR A 19 10.969 3.478 5.373 1.00 0.00 O ATOM 290 CG2 THR A 19 10.108 3.263 7.581 1.00 0.00 C ATOM 0 H THR A 19 9.080 2.287 4.945 1.00 0.00 H new ATOM 0 HA THR A 19 7.998 4.536 6.477 1.00 0.00 H new ATOM 0 HB THR A 19 10.414 5.113 6.525 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.865 3.415 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.125 3.213 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.458 3.726 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.752 2.256 7.365 1.00 0.00 H new ATOM 298 N VAL A 20 7.405 5.328 3.901 1.00 0.00 N ATOM 299 CA VAL A 20 7.047 6.349 2.931 1.00 0.00 C ATOM 300 C VAL A 20 6.689 7.663 3.646 1.00 0.00 C ATOM 301 O VAL A 20 5.522 8.003 3.842 1.00 0.00 O ATOM 302 CB VAL A 20 5.967 5.811 1.984 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.607 5.634 2.658 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.850 6.715 0.757 1.00 0.00 C ATOM 0 H VAL A 20 6.699 4.596 3.981 1.00 0.00 H new ATOM 0 HA VAL A 20 7.898 6.595 2.296 1.00 0.00 H new ATOM 0 HB VAL A 20 6.283 4.815 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.889 5.251 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.699 4.929 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.261 6.595 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.081 6.325 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.580 7.723 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.805 6.742 0.233 1.00 0.00 H new ATOM 314 N GLU A 21 7.729 8.385 4.056 1.00 0.00 N ATOM 315 CA GLU A 21 7.671 9.741 4.589 1.00 0.00 C ATOM 316 C GLU A 21 9.072 10.341 4.462 1.00 0.00 C ATOM 317 O GLU A 21 9.238 11.489 4.063 1.00 0.00 O ATOM 318 CB GLU A 21 7.170 9.753 6.049 1.00 0.00 C ATOM 319 CG GLU A 21 6.766 11.172 6.486 1.00 0.00 C ATOM 320 CD GLU A 21 6.496 11.289 7.984 1.00 0.00 C ATOM 321 OE1 GLU A 21 5.334 11.066 8.387 1.00 0.00 O ATOM 322 OE2 GLU A 21 7.462 11.622 8.707 1.00 0.00 O ATOM 0 H GLU A 21 8.681 8.021 4.023 1.00 0.00 H new ATOM 0 HA GLU A 21 6.956 10.341 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.317 9.082 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.952 9.375 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.558 11.869 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.873 11.473 5.938 1.00 0.00 H new ATOM 329 N LYS A 22 10.106 9.556 4.795 1.00 0.00 N ATOM 330 CA LYS A 22 11.479 10.010 4.690 1.00 0.00 C ATOM 331 C LYS A 22 12.434 8.815 4.601 1.00 0.00 C ATOM 332 O LYS A 22 12.456 7.970 5.491 1.00 0.00 O ATOM 333 CB LYS A 22 11.796 10.946 5.865 1.00 0.00 C ATOM 334 CG LYS A 22 11.475 10.349 7.245 1.00 0.00 C ATOM 335 CD LYS A 22 11.731 11.372 8.361 1.00 0.00 C ATOM 336 CE LYS A 22 10.413 12.063 8.734 1.00 0.00 C ATOM 337 NZ LYS A 22 10.583 13.136 9.729 1.00 0.00 N ATOM 0 H LYS A 22 10.005 8.601 5.140 1.00 0.00 H new ATOM 0 HA LYS A 22 11.617 10.580 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.853 11.209 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.233 11.871 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.434 10.028 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.086 9.462 7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.153 10.875 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.461 12.111 8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.961 12.479 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.718 11.320 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.659 13.564 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.988 12.740 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.223 13.863 9.350 1.00 0.00 H new ATOM 351 N GLY A 23 13.235 8.765 3.531 1.00 0.00 N ATOM 352 CA GLY A 23 14.358 7.847 3.396 1.00 0.00 C ATOM 353 C GLY A 23 13.979 6.371 3.521 1.00 0.00 C ATOM 354 O GLY A 23 14.721 5.601 4.127 1.00 0.00 O ATOM 0 H GLY A 23 13.114 9.375 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.830 8.008 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 23 15.101 8.085 4.157 1.00 0.00 H new ATOM 358 N GLY A 24 12.871 5.959 2.900 1.00 0.00 N ATOM 359 CA GLY A 24 12.440 4.583 2.858 1.00 0.00 C ATOM 360 C GLY A 24 12.955 3.926 1.585 1.00 0.00 C ATOM 361 O GLY A 24 13.267 4.589 0.595 1.00 0.00 O ATOM 0 H GLY A 24 12.245 6.595 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.812 4.048 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.352 4.531 2.892 1.00 0.00 H new ATOM 365 N LYS A 25 13.034 2.603 1.649 1.00 0.00 N ATOM 366 CA LYS A 25 13.410 1.655 0.603 1.00 0.00 C ATOM 367 C LYS A 25 12.556 0.389 0.794 1.00 0.00 C ATOM 368 O LYS A 25 11.395 0.511 1.173 1.00 0.00 O ATOM 369 CB LYS A 25 14.937 1.441 0.658 1.00 0.00 C ATOM 370 CG LYS A 25 15.632 2.460 -0.249 1.00 0.00 C ATOM 371 CD LYS A 25 17.134 2.524 0.046 1.00 0.00 C ATOM 372 CE LYS A 25 17.821 3.590 -0.821 1.00 0.00 C ATOM 373 NZ LYS A 25 17.352 4.958 -0.508 1.00 0.00 N ATOM 0 H LYS A 25 12.815 2.118 2.519 1.00 0.00 H new ATOM 0 HA LYS A 25 13.206 2.015 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.293 1.549 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.184 0.428 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.474 2.190 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.187 3.444 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.292 2.751 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.587 1.550 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.899 3.536 -0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.633 3.376 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.968 5.652 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.376 5.076 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.382 5.108 0.521 1.00 0.00 H new ATOM 387 N HIS A 26 13.081 -0.806 0.507 1.00 0.00 N ATOM 388 CA HIS A 26 12.380 -2.071 0.692 1.00 0.00 C ATOM 389 C HIS A 26 12.611 -2.583 2.122 1.00 0.00 C ATOM 390 O HIS A 26 12.923 -1.796 3.012 1.00 0.00 O ATOM 391 CB HIS A 26 12.865 -3.061 -0.382 1.00 0.00 C ATOM 392 CG HIS A 26 13.029 -2.437 -1.747 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.218 -2.291 -2.427 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.053 -1.816 -2.480 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.958 -1.600 -3.550 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.653 -1.291 -3.627 1.00 0.00 N ATOM 0 H HIS A 26 14.023 -0.919 0.133 1.00 0.00 H new ATOM 0 HA HIS A 26 11.304 -1.947 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.819 -3.486 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.156 -3.886 -0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.008 -1.745 -2.218 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.697 -1.330 -4.290 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.191 -0.775 -4.376 1.00 0.00 H new ATOM 404 N LYS A 27 12.509 -3.909 2.301 1.00 0.00 N ATOM 405 CA LYS A 27 12.731 -4.687 3.522 1.00 0.00 C ATOM 406 C LYS A 27 11.381 -5.036 4.150 1.00 0.00 C ATOM 407 O LYS A 27 11.003 -4.497 5.187 1.00 0.00 O ATOM 408 CB LYS A 27 13.694 -4.020 4.523 1.00 0.00 C ATOM 409 CG LYS A 27 14.190 -5.025 5.576 1.00 0.00 C ATOM 410 CD LYS A 27 14.510 -4.335 6.911 1.00 0.00 C ATOM 411 CE LYS A 27 13.217 -4.069 7.705 1.00 0.00 C ATOM 412 NZ LYS A 27 13.465 -3.351 8.972 1.00 0.00 N ATOM 0 H LYS A 27 12.245 -4.515 1.524 1.00 0.00 H new ATOM 0 HA LYS A 27 13.243 -5.607 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.546 -3.601 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.190 -3.190 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.431 -5.791 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.081 -5.531 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.182 -4.961 7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.030 -3.395 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.531 -3.487 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.725 -5.018 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.563 -3.198 9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.098 -3.916 9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.909 -2.433 8.769 1.00 0.00 H new ATOM 426 N THR A 28 10.663 -5.961 3.509 1.00 0.00 N ATOM 427 CA THR A 28 9.362 -6.434 3.969 1.00 0.00 C ATOM 428 C THR A 28 8.333 -5.299 3.931 1.00 0.00 C ATOM 429 O THR A 28 7.390 -5.292 4.710 1.00 0.00 O ATOM 430 CB THR A 28 9.490 -7.095 5.359 1.00 0.00 C ATOM 431 OG1 THR A 28 10.677 -7.868 5.395 1.00 0.00 O ATOM 432 CG2 THR A 28 8.326 -8.039 5.689 1.00 0.00 C ATOM 0 H THR A 28 10.975 -6.406 2.646 1.00 0.00 H new ATOM 0 HA THR A 28 8.995 -7.205 3.291 1.00 0.00 H new ATOM 0 HB THR A 28 9.494 -6.285 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.766 -8.290 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.477 -8.470 6.679 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.390 -7.481 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.284 -8.837 4.948 1.00 0.00 H new ATOM 440 N GLY A 29 8.481 -4.368 2.987 1.00 0.00 N ATOM 441 CA GLY A 29 7.592 -3.227 2.859 1.00 0.00 C ATOM 442 C GLY A 29 8.195 -2.238 1.864 1.00 0.00 C ATOM 443 O GLY A 29 9.094 -1.490 2.235 1.00 0.00 O ATOM 0 H GLY A 29 9.226 -4.390 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.609 -3.552 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.452 -2.748 3.828 1.00 0.00 H new ATOM 447 N PRO A 30 7.786 -2.247 0.585 1.00 0.00 N ATOM 448 CA PRO A 30 8.305 -1.303 -0.389 1.00 0.00 C ATOM 449 C PRO A 30 7.924 0.123 0.001 1.00 0.00 C ATOM 450 O PRO A 30 6.750 0.414 0.216 1.00 0.00 O ATOM 451 CB PRO A 30 7.679 -1.687 -1.731 1.00 0.00 C ATOM 452 CG PRO A 30 6.437 -2.491 -1.349 1.00 0.00 C ATOM 453 CD PRO A 30 6.832 -3.153 -0.029 1.00 0.00 C ATOM 0 HA PRO A 30 9.393 -1.338 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.418 -0.805 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.366 -2.279 -2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.564 -1.849 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.188 -3.230 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.963 -3.302 0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.275 -4.134 -0.198 1.00 0.00 H new ATOM 461 N ASN A 31 8.904 1.024 0.061 1.00 0.00 N ATOM 462 CA ASN A 31 8.659 2.459 0.030 1.00 0.00 C ATOM 463 C ASN A 31 7.725 2.791 -1.136 1.00 0.00 C ATOM 464 O ASN A 31 8.095 2.604 -2.295 1.00 0.00 O ATOM 465 CB ASN A 31 9.992 3.192 -0.119 1.00 0.00 C ATOM 466 CG ASN A 31 9.793 4.692 -0.278 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.533 5.390 0.693 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.915 5.203 -1.499 1.00 0.00 N ATOM 0 H ASN A 31 9.891 0.775 0.133 1.00 0.00 H new ATOM 0 HA ASN A 31 8.183 2.779 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.614 2.998 0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.527 2.802 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.791 6.205 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.132 4.594 -2.288 1.00 0.00 H new ATOM 475 N LEU A 32 6.514 3.252 -0.820 1.00 0.00 N ATOM 476 CA LEU A 32 5.399 3.390 -1.748 1.00 0.00 C ATOM 477 C LEU A 32 5.593 4.623 -2.645 1.00 0.00 C ATOM 478 O LEU A 32 4.837 5.587 -2.569 1.00 0.00 O ATOM 479 CB LEU A 32 4.093 3.451 -0.935 1.00 0.00 C ATOM 480 CG LEU A 32 3.884 2.261 0.021 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.646 2.494 0.890 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.703 0.955 -0.754 1.00 0.00 C ATOM 0 H LEU A 32 6.278 3.550 0.126 1.00 0.00 H new ATOM 0 HA LEU A 32 5.349 2.531 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.083 4.374 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.251 3.499 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 32 4.772 2.182 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.508 1.647 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.779 3.404 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.768 2.598 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.558 0.133 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.832 1.036 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.590 0.764 -1.358 1.00 0.00 H new ATOM 494 N HIS A 33 6.636 4.583 -3.477 1.00 0.00 N ATOM 495 CA HIS A 33 7.174 5.719 -4.214 1.00 0.00 C ATOM 496 C HIS A 33 6.175 6.269 -5.236 1.00 0.00 C ATOM 497 O HIS A 33 5.658 7.368 -5.073 1.00 0.00 O ATOM 498 CB HIS A 33 8.494 5.274 -4.869 1.00 0.00 C ATOM 499 CG HIS A 33 9.255 6.323 -5.645 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.366 6.069 -6.419 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.020 7.673 -5.692 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.782 7.240 -6.930 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.991 8.243 -6.520 1.00 0.00 N ATOM 0 H HIS A 33 7.147 3.720 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 33 7.365 6.546 -3.530 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.148 4.888 -4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.277 4.444 -5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.228 8.201 -5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.636 7.358 -7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.081 9.229 -6.765 1.00 0.00 H new ATOM 511 N GLY A 34 5.947 5.534 -6.326 1.00 0.00 N ATOM 512 CA GLY A 34 5.057 5.976 -7.393 1.00 0.00 C ATOM 513 C GLY A 34 3.632 5.539 -7.082 1.00 0.00 C ATOM 514 O GLY A 34 2.709 6.347 -7.059 1.00 0.00 O ATOM 0 H GLY A 34 6.373 4.622 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.102 7.061 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.378 5.555 -8.346 1.00 0.00 H new ATOM 518 N LEU A 35 3.476 4.236 -6.836 1.00 0.00 N ATOM 519 CA LEU A 35 2.226 3.599 -6.462 1.00 0.00 C ATOM 520 C LEU A 35 1.177 3.746 -7.579 1.00 0.00 C ATOM 521 O LEU A 35 1.008 2.848 -8.401 1.00 0.00 O ATOM 522 CB LEU A 35 1.758 4.120 -5.084 1.00 0.00 C ATOM 523 CG LEU A 35 1.403 3.018 -4.082 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.697 3.663 -2.884 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.485 1.989 -4.729 1.00 0.00 C ATOM 0 H LEU A 35 4.252 3.576 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 35 2.378 2.526 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.544 4.743 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.887 4.759 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 35 2.311 2.510 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.436 2.893 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.362 4.390 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.209 4.165 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.241 1.212 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.432 2.477 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.988 1.541 -5.586 1.00 0.00 H new ATOM 537 N PHE A 36 0.512 4.897 -7.650 1.00 0.00 N ATOM 538 CA PHE A 36 -0.531 5.172 -8.622 1.00 0.00 C ATOM 539 C PHE A 36 0.081 5.219 -10.015 1.00 0.00 C ATOM 540 O PHE A 36 0.931 6.064 -10.286 1.00 0.00 O ATOM 541 CB PHE A 36 -1.240 6.479 -8.255 1.00 0.00 C ATOM 542 CG PHE A 36 -1.981 6.377 -6.937 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.183 5.649 -6.882 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.387 6.833 -5.746 1.00 0.00 C ATOM 545 CE1 PHE A 36 -3.805 5.408 -5.647 1.00 0.00 C ATOM 546 CE2 PHE A 36 -1.999 6.567 -4.511 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.234 5.899 -4.466 1.00 0.00 C ATOM 0 H PHE A 36 0.691 5.677 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.280 4.380 -8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.507 7.284 -8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.942 6.744 -9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.628 5.275 -7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.461 7.387 -5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.725 4.843 -5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.520 6.876 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.742 5.764 -3.523 1.00 0.00 H new ATOM 557 N GLY A 37 -0.322 4.294 -10.890 1.00 0.00 N ATOM 558 CA GLY A 37 0.262 4.188 -12.222 1.00 0.00 C ATOM 559 C GLY A 37 1.406 3.171 -12.263 1.00 0.00 C ATOM 560 O GLY A 37 1.891 2.828 -13.343 1.00 0.00 O ATOM 0 H GLY A 37 -1.052 3.608 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.509 3.896 -12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.632 5.164 -12.535 1.00 0.00 H new ATOM 564 N ARG A 38 1.857 2.670 -11.109 1.00 0.00 N ATOM 565 CA ARG A 38 2.963 1.740 -11.047 1.00 0.00 C ATOM 566 C ARG A 38 2.461 0.357 -11.467 1.00 0.00 C ATOM 567 O ARG A 38 2.025 -0.442 -10.636 1.00 0.00 O ATOM 568 CB ARG A 38 3.585 1.778 -9.645 1.00 0.00 C ATOM 569 CG ARG A 38 5.068 1.393 -9.653 1.00 0.00 C ATOM 570 CD ARG A 38 6.005 2.570 -9.988 1.00 0.00 C ATOM 571 NE ARG A 38 6.226 2.748 -11.435 1.00 0.00 N ATOM 572 CZ ARG A 38 6.829 3.814 -11.998 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.167 4.870 -11.250 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.104 3.815 -13.308 1.00 0.00 N ATOM 0 H ARG A 38 1.459 2.904 -10.199 1.00 0.00 H new ATOM 0 HA ARG A 38 3.760 2.014 -11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.475 2.779 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.040 1.099 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.337 0.991 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.225 0.596 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.585 3.488 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.966 2.411 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 38 5.898 2.009 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.969 4.871 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.623 5.675 -11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.857 3.008 -13.882 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.560 4.622 -13.733 1.00 0.00 H new ATOM 588 N LYS A 39 2.511 0.113 -12.782 1.00 0.00 N ATOM 589 CA LYS A 39 2.233 -1.160 -13.443 1.00 0.00 C ATOM 590 C LYS A 39 2.768 -2.322 -12.599 1.00 0.00 C ATOM 591 O LYS A 39 3.967 -2.592 -12.562 1.00 0.00 O ATOM 592 CB LYS A 39 2.802 -1.125 -14.870 1.00 0.00 C ATOM 593 CG LYS A 39 1.932 -0.207 -15.745 1.00 0.00 C ATOM 594 CD LYS A 39 2.645 0.306 -17.003 1.00 0.00 C ATOM 595 CE LYS A 39 3.054 -0.827 -17.956 1.00 0.00 C ATOM 596 NZ LYS A 39 3.565 -0.305 -19.241 1.00 0.00 N ATOM 0 H LYS A 39 2.761 0.843 -13.448 1.00 0.00 H new ATOM 0 HA LYS A 39 1.158 -1.320 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.830 -0.763 -14.854 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.824 -2.131 -15.289 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.034 -0.748 -16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.607 0.646 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.990 1.000 -17.530 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.533 0.867 -16.710 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.820 -1.441 -17.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.196 -1.474 -18.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.831 -1.099 -19.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.826 0.261 -19.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.399 0.292 -19.066 1.00 0.00 H new ATOM 610 N THR A 40 1.857 -2.941 -11.854 1.00 0.00 N ATOM 611 CA THR A 40 2.116 -3.874 -10.793 1.00 0.00 C ATOM 612 C THR A 40 2.399 -5.248 -11.385 1.00 0.00 C ATOM 613 O THR A 40 2.002 -5.546 -12.509 1.00 0.00 O ATOM 614 CB THR A 40 0.838 -3.894 -9.964 1.00 0.00 C ATOM 615 OG1 THR A 40 0.411 -2.563 -9.703 1.00 0.00 O ATOM 616 CG2 THR A 40 1.001 -4.697 -8.681 1.00 0.00 C ATOM 0 H THR A 40 0.859 -2.786 -11.994 1.00 0.00 H new ATOM 0 HA THR A 40 2.980 -3.598 -10.188 1.00 0.00 H new ATOM 0 HB THR A 40 0.064 -4.399 -10.542 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.336 -2.427 -8.735 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.065 -4.684 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.262 -5.726 -8.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.792 -4.257 -8.074 1.00 0.00 H new ATOM 624 N GLY A 41 3.058 -6.101 -10.606 1.00 0.00 N ATOM 625 CA GLY A 41 3.406 -7.432 -11.060 1.00 0.00 C ATOM 626 C GLY A 41 4.772 -7.414 -11.750 1.00 0.00 C ATOM 627 O GLY A 41 5.079 -8.294 -12.553 1.00 0.00 O ATOM 0 H GLY A 41 3.360 -5.888 -9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.427 -8.119 -10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.646 -7.799 -11.750 1.00 0.00 H new ATOM 631 N GLN A 42 5.601 -6.411 -11.429 1.00 0.00 N ATOM 632 CA GLN A 42 6.958 -6.276 -11.933 1.00 0.00 C ATOM 633 C GLN A 42 7.864 -5.783 -10.809 1.00 0.00 C ATOM 634 O GLN A 42 8.443 -6.605 -10.106 1.00 0.00 O ATOM 635 CB GLN A 42 7.012 -5.367 -13.173 1.00 0.00 C ATOM 636 CG GLN A 42 6.329 -5.989 -14.399 1.00 0.00 C ATOM 637 CD GLN A 42 6.609 -5.171 -15.656 1.00 0.00 C ATOM 638 OE1 GLN A 42 5.735 -4.486 -16.178 1.00 0.00 O ATOM 639 NE2 GLN A 42 7.843 -5.224 -16.153 1.00 0.00 N ATOM 0 H GLN A 42 5.332 -5.658 -10.796 1.00 0.00 H new ATOM 0 HA GLN A 42 7.319 -7.250 -12.262 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.534 -4.415 -12.941 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.053 -5.151 -13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.685 -7.010 -14.539 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.254 -6.046 -14.230 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.551 -5.802 -15.700 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.080 -4.687 -16.987 1.00 0.00 H new ATOM 648 N ALA A 43 7.986 -4.463 -10.621 1.00 0.00 N ATOM 649 CA ALA A 43 8.922 -3.862 -9.673 1.00 0.00 C ATOM 650 C ALA A 43 10.344 -4.429 -9.839 1.00 0.00 C ATOM 651 O ALA A 43 10.839 -5.119 -8.945 1.00 0.00 O ATOM 652 CB ALA A 43 8.377 -4.049 -8.260 1.00 0.00 C ATOM 0 H ALA A 43 7.429 -3.777 -11.131 1.00 0.00 H new ATOM 0 HA ALA A 43 9.010 -2.794 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.067 -3.605 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.405 -3.563 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.270 -5.113 -8.049 1.00 0.00 H new ATOM 658 N PRO A 44 11.003 -4.146 -10.978 1.00 0.00 N ATOM 659 CA PRO A 44 12.258 -4.773 -11.368 1.00 0.00 C ATOM 660 C PRO A 44 13.420 -4.310 -10.481 1.00 0.00 C ATOM 661 O PRO A 44 14.222 -3.467 -10.873 1.00 0.00 O ATOM 662 CB PRO A 44 12.454 -4.401 -12.844 1.00 0.00 C ATOM 663 CG PRO A 44 11.746 -3.051 -12.955 1.00 0.00 C ATOM 664 CD PRO A 44 10.553 -3.228 -12.016 1.00 0.00 C ATOM 0 HA PRO A 44 12.232 -5.855 -11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.510 -4.326 -13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.014 -5.144 -13.509 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.389 -2.228 -12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.431 -2.840 -13.977 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.246 -2.274 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.692 -3.631 -12.549 1.00 0.00 H new ATOM 672 N GLY A 45 13.516 -4.888 -9.284 1.00 0.00 N ATOM 673 CA GLY A 45 14.628 -4.671 -8.375 1.00 0.00 C ATOM 674 C GLY A 45 14.412 -5.472 -7.098 1.00 0.00 C ATOM 675 O GLY A 45 15.225 -6.321 -6.747 1.00 0.00 O ATOM 0 H GLY A 45 12.811 -5.528 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.562 -4.971 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.716 -3.610 -8.140 1.00 0.00 H new ATOM 679 N PHE A 46 13.298 -5.197 -6.413 1.00 0.00 N ATOM 680 CA PHE A 46 12.923 -5.866 -5.171 1.00 0.00 C ATOM 681 C PHE A 46 11.894 -6.964 -5.461 1.00 0.00 C ATOM 682 O PHE A 46 12.107 -8.122 -5.113 1.00 0.00 O ATOM 683 CB PHE A 46 12.470 -4.815 -4.133 1.00 0.00 C ATOM 684 CG PHE A 46 11.105 -4.997 -3.505 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.943 -5.863 -2.409 1.00 0.00 C ATOM 686 CD2 PHE A 46 9.993 -4.311 -4.026 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.680 -6.019 -1.815 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.715 -4.551 -3.500 1.00 0.00 C ATOM 689 CZ PHE A 46 8.560 -5.391 -2.385 1.00 0.00 C ATOM 0 H PHE A 46 12.624 -4.493 -6.713 1.00 0.00 H new ATOM 0 HA PHE A 46 13.778 -6.376 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.209 -4.793 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.492 -3.837 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.791 -6.409 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.123 -3.601 -4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.570 -6.619 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.850 -4.090 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.578 -5.554 -1.965 1.00 0.00 H new ATOM 699 N THR A 47 10.801 -6.579 -6.126 1.00 0.00 N ATOM 700 CA THR A 47 9.595 -7.364 -6.351 1.00 0.00 C ATOM 701 C THR A 47 9.090 -8.169 -5.145 1.00 0.00 C ATOM 702 O THR A 47 9.513 -7.997 -4.006 1.00 0.00 O ATOM 703 CB THR A 47 9.648 -8.140 -7.676 1.00 0.00 C ATOM 704 OG1 THR A 47 8.322 -8.410 -8.103 1.00 0.00 O ATOM 705 CG2 THR A 47 10.430 -9.447 -7.590 1.00 0.00 C ATOM 0 H THR A 47 10.736 -5.652 -6.546 1.00 0.00 H new ATOM 0 HA THR A 47 8.797 -6.631 -6.467 1.00 0.00 H new ATOM 0 HB THR A 47 10.177 -7.512 -8.392 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.076 -7.788 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.424 -9.939 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.458 -9.237 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.967 -10.100 -6.850 1.00 0.00 H new ATOM 713 N TYR A 48 8.090 -9.004 -5.406 1.00 0.00 N ATOM 714 CA TYR A 48 7.245 -9.628 -4.406 1.00 0.00 C ATOM 715 C TYR A 48 6.882 -11.051 -4.810 1.00 0.00 C ATOM 716 O TYR A 48 7.242 -11.527 -5.885 1.00 0.00 O ATOM 717 CB TYR A 48 5.997 -8.765 -4.155 1.00 0.00 C ATOM 718 CG TYR A 48 5.611 -7.803 -5.259 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.159 -6.514 -5.254 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.724 -8.175 -6.280 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.931 -5.637 -6.330 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.407 -7.257 -7.296 1.00 0.00 C ATOM 723 CZ TYR A 48 5.078 -6.031 -7.376 1.00 0.00 C ATOM 724 OH TYR A 48 4.961 -5.284 -8.516 1.00 0.00 O ATOM 0 H TYR A 48 7.840 -9.272 -6.358 1.00 0.00 H new ATOM 0 HA TYR A 48 7.798 -9.696 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.153 -9.430 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.156 -8.191 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.761 -6.191 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.287 -9.162 -6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.408 -4.668 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.642 -7.499 -8.019 1.00 0.00 H new ATOM 0 HH TYR A 48 5.340 -4.393 -8.364 1.00 0.00 H new ATOM 734 N THR A 49 6.180 -11.727 -3.904 1.00 0.00 N ATOM 735 CA THR A 49 5.755 -13.109 -4.058 1.00 0.00 C ATOM 736 C THR A 49 4.871 -13.256 -5.286 1.00 0.00 C ATOM 737 O THR A 49 4.011 -12.405 -5.496 1.00 0.00 O ATOM 738 CB THR A 49 4.910 -13.503 -2.851 1.00 0.00 C ATOM 739 OG1 THR A 49 3.995 -12.458 -2.574 1.00 0.00 O ATOM 740 CG2 THR A 49 5.767 -13.726 -1.610 1.00 0.00 C ATOM 0 H THR A 49 5.885 -11.314 -3.019 1.00 0.00 H new ATOM 0 HA THR A 49 6.642 -13.735 -4.152 1.00 0.00 H new ATOM 0 HB THR A 49 4.395 -14.434 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.629 -12.112 -3.415 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.128 -14.005 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.484 -14.525 -1.802 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.303 -12.808 -1.368 1.00 0.00 H new ATOM 748 N ASP A 50 5.002 -14.363 -6.016 1.00 0.00 N ATOM 749 CA ASP A 50 4.321 -14.586 -7.288 1.00 0.00 C ATOM 750 C ASP A 50 2.803 -14.494 -7.207 1.00 0.00 C ATOM 751 O ASP A 50 2.182 -14.106 -8.187 1.00 0.00 O ATOM 752 CB ASP A 50 4.811 -15.869 -7.966 1.00 0.00 C ATOM 753 CG ASP A 50 6.147 -15.622 -8.651 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.119 -15.068 -9.775 1.00 0.00 O ATOM 755 OD2 ASP A 50 7.175 -15.945 -8.027 1.00 0.00 O ATOM 0 H ASP A 50 5.595 -15.143 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 50 4.602 -13.752 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.914 -16.663 -7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.076 -16.207 -8.697 1.00 0.00 H new ATOM 760 N ALA A 51 2.184 -14.759 -6.057 1.00 0.00 N ATOM 761 CA ALA A 51 0.763 -14.468 -5.893 1.00 0.00 C ATOM 762 C ALA A 51 0.464 -12.999 -6.174 1.00 0.00 C ATOM 763 O ALA A 51 -0.501 -12.676 -6.866 1.00 0.00 O ATOM 764 CB ALA A 51 0.313 -14.857 -4.483 1.00 0.00 C ATOM 0 H ALA A 51 2.636 -15.168 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 51 0.203 -15.059 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.748 -14.638 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.482 -15.923 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.884 -14.288 -3.749 1.00 0.00 H new ATOM 770 N ASN A 52 1.300 -12.102 -5.653 1.00 0.00 N ATOM 771 CA ASN A 52 1.126 -10.678 -5.875 1.00 0.00 C ATOM 772 C ASN A 52 1.809 -10.241 -7.174 1.00 0.00 C ATOM 773 O ASN A 52 1.392 -9.267 -7.796 1.00 0.00 O ATOM 774 CB ASN A 52 1.667 -9.915 -4.671 1.00 0.00 C ATOM 775 CG ASN A 52 0.970 -8.572 -4.468 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.425 -8.317 -3.396 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.897 -7.740 -5.506 1.00 0.00 N ATOM 0 H ASN A 52 2.104 -12.343 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 52 0.065 -10.453 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.545 -10.523 -3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.737 -9.750 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.379 -6.865 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.359 -7.978 -6.384 1.00 0.00 H new ATOM 784 N LYS A 53 2.864 -10.937 -7.598 1.00 0.00 N ATOM 785 CA LYS A 53 3.584 -10.603 -8.815 1.00 0.00 C ATOM 786 C LYS A 53 2.728 -10.949 -10.033 1.00 0.00 C ATOM 787 O LYS A 53 2.774 -10.278 -11.057 1.00 0.00 O ATOM 788 CB LYS A 53 4.936 -11.311 -8.877 1.00 0.00 C ATOM 789 CG LYS A 53 5.950 -10.520 -9.712 1.00 0.00 C ATOM 790 CD LYS A 53 6.950 -11.488 -10.350 1.00 0.00 C ATOM 791 CE LYS A 53 6.321 -12.159 -11.585 1.00 0.00 C ATOM 792 NZ LYS A 53 6.835 -13.527 -11.787 1.00 0.00 N ATOM 0 H LYS A 53 3.239 -11.747 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 53 3.783 -9.531 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.323 -11.447 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.807 -12.305 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.435 -9.950 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.474 -9.801 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.854 -10.952 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.247 -12.247 -9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.238 -12.191 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.529 -11.558 -12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.700 -13.806 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.848 -13.555 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.320 -14.186 -11.169 1.00 0.00 H new ATOM 806 N ASN A 54 1.927 -12.006 -9.915 1.00 0.00 N ATOM 807 CA ASN A 54 1.002 -12.430 -10.948 1.00 0.00 C ATOM 808 C ASN A 54 -0.167 -11.441 -11.090 1.00 0.00 C ATOM 809 O ASN A 54 -0.926 -11.523 -12.050 1.00 0.00 O ATOM 810 CB ASN A 54 0.490 -13.838 -10.619 1.00 0.00 C ATOM 811 CG ASN A 54 -0.449 -14.389 -11.685 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.642 -14.551 -11.451 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.084 -14.716 -12.861 1.00 0.00 N ATOM 0 H ASN A 54 1.907 -12.597 -9.084 1.00 0.00 H new ATOM 0 HA ASN A 54 1.525 -12.450 -11.904 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.340 -14.511 -10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.029 -13.816 -9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.503 -15.112 -13.595 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.080 -14.570 -13.028 1.00 0.00 H new ATOM 820 N LYS A 55 -0.340 -10.526 -10.124 1.00 0.00 N ATOM 821 CA LYS A 55 -1.564 -9.740 -9.972 1.00 0.00 C ATOM 822 C LYS A 55 -1.909 -8.919 -11.223 1.00 0.00 C ATOM 823 O LYS A 55 -3.075 -8.844 -11.600 1.00 0.00 O ATOM 824 CB LYS A 55 -1.430 -8.853 -8.730 1.00 0.00 C ATOM 825 CG LYS A 55 -2.663 -8.014 -8.379 1.00 0.00 C ATOM 826 CD LYS A 55 -3.893 -8.830 -7.946 1.00 0.00 C ATOM 827 CE LYS A 55 -4.929 -9.045 -9.066 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.311 -8.937 -8.556 1.00 0.00 N ATOM 0 H LYS A 55 0.372 -10.313 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.400 -10.428 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.190 -9.487 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.585 -8.181 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.400 -7.325 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.932 -7.408 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.561 -9.802 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.376 -8.324 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.773 -8.308 -9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.782 -10.027 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.978 -8.952 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.511 -9.738 -7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.419 -8.046 -8.031 1.00 0.00 H new ATOM 842 N GLY A 56 -0.912 -8.270 -11.833 1.00 0.00 N ATOM 843 CA GLY A 56 -1.081 -7.560 -13.097 1.00 0.00 C ATOM 844 C GLY A 56 -2.101 -6.418 -13.027 1.00 0.00 C ATOM 845 O GLY A 56 -2.965 -6.301 -13.893 1.00 0.00 O ATOM 0 H GLY A 56 0.036 -8.224 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.118 -7.157 -13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.394 -8.269 -13.864 1.00 0.00 H new ATOM 849 N ILE A 57 -1.986 -5.560 -12.009 1.00 0.00 N ATOM 850 CA ILE A 57 -2.750 -4.317 -11.880 1.00 0.00 C ATOM 851 C ILE A 57 -1.824 -3.117 -12.125 1.00 0.00 C ATOM 852 O ILE A 57 -0.791 -3.248 -12.777 1.00 0.00 O ATOM 853 CB ILE A 57 -3.482 -4.286 -10.522 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.501 -4.427 -9.344 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.577 -5.360 -10.551 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.145 -4.313 -7.964 1.00 0.00 C ATOM 0 H ILE A 57 -1.343 -5.715 -11.233 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.530 -4.261 -12.639 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.957 -3.318 -10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.001 -5.392 -9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.731 -3.661 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.112 -5.360 -9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.275 -5.146 -11.360 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.123 -6.338 -10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.380 -4.424 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.621 -3.337 -7.864 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.894 -5.096 -7.846 1.00 0.00 H new ATOM 868 N THR A 58 -2.179 -1.922 -11.650 1.00 0.00 N ATOM 869 CA THR A 58 -1.410 -0.708 -11.838 1.00 0.00 C ATOM 870 C THR A 58 -1.605 0.168 -10.591 1.00 0.00 C ATOM 871 O THR A 58 -1.847 1.368 -10.694 1.00 0.00 O ATOM 872 CB THR A 58 -1.900 -0.102 -13.166 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.734 -1.038 -14.217 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.150 1.154 -13.563 1.00 0.00 C ATOM 0 H THR A 58 -3.033 -1.777 -11.111 1.00 0.00 H new ATOM 0 HA THR A 58 -0.332 -0.847 -11.925 1.00 0.00 H new ATOM 0 HB THR A 58 -2.948 0.152 -13.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.050 -0.645 -15.058 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.544 1.530 -14.507 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.275 1.912 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.091 0.924 -13.678 1.00 0.00 H new ATOM 882 N TRP A 59 -1.547 -0.488 -9.421 1.00 0.00 N ATOM 883 CA TRP A 59 -1.933 -0.002 -8.097 1.00 0.00 C ATOM 884 C TRP A 59 -2.736 1.300 -8.119 1.00 0.00 C ATOM 885 O TRP A 59 -2.269 2.353 -7.695 1.00 0.00 O ATOM 886 CB TRP A 59 -0.715 0.088 -7.182 1.00 0.00 C ATOM 887 CG TRP A 59 -0.213 -1.208 -6.639 1.00 0.00 C ATOM 888 CD1 TRP A 59 1.020 -1.722 -6.832 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.904 -2.136 -5.752 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.120 -2.930 -6.175 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.040 -3.240 -5.493 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.170 -2.147 -5.124 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.424 -4.312 -4.672 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.554 -3.207 -4.281 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.690 -4.295 -4.067 1.00 0.00 C ATOM 0 H TRP A 59 -1.201 -1.447 -9.379 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.621 -0.742 -7.687 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.095 0.568 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.961 0.740 -6.344 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.806 -1.259 -7.411 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.950 -3.523 -6.191 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.854 -1.329 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.248 -5.141 -4.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.519 -3.184 -3.796 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.000 -5.116 -3.438 1.00 0.00 H new ATOM 906 N LYS A 60 -3.971 1.205 -8.605 1.00 0.00 N ATOM 907 CA LYS A 60 -4.864 2.348 -8.711 1.00 0.00 C ATOM 908 C LYS A 60 -5.669 2.510 -7.418 1.00 0.00 C ATOM 909 O LYS A 60 -5.706 1.605 -6.577 1.00 0.00 O ATOM 910 CB LYS A 60 -5.790 2.176 -9.921 1.00 0.00 C ATOM 911 CG LYS A 60 -6.465 0.799 -9.934 1.00 0.00 C ATOM 912 CD LYS A 60 -5.785 -0.202 -10.880 1.00 0.00 C ATOM 913 CE LYS A 60 -6.477 -0.224 -12.252 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.835 -0.813 -12.201 1.00 0.00 N ATOM 0 H LYS A 60 -4.378 0.330 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.275 3.253 -8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.553 2.954 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.217 2.308 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.463 0.392 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.508 0.916 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.735 0.064 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.811 -1.199 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.542 0.794 -12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.866 -0.792 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.119 -1.115 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.833 -1.635 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.508 -0.103 -11.848 1.00 0.00 H new ATOM 928 N GLU A 61 -6.393 3.631 -7.317 1.00 0.00 N ATOM 929 CA GLU A 61 -7.291 3.963 -6.209 1.00 0.00 C ATOM 930 C GLU A 61 -8.599 3.157 -6.254 1.00 0.00 C ATOM 931 O GLU A 61 -9.684 3.691 -6.042 1.00 0.00 O ATOM 932 CB GLU A 61 -7.511 5.487 -6.148 1.00 0.00 C ATOM 933 CG GLU A 61 -7.987 6.160 -7.444 1.00 0.00 C ATOM 934 CD GLU A 61 -8.055 7.659 -7.218 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.045 8.159 -6.648 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.050 8.359 -7.462 1.00 0.00 O ATOM 0 H GLU A 61 -6.367 4.358 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.815 3.665 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.241 5.696 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.575 5.956 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.303 5.932 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.966 5.776 -7.731 1.00 0.00 H new ATOM 943 N GLU A 62 -8.469 1.852 -6.493 1.00 0.00 N ATOM 944 CA GLU A 62 -9.535 0.867 -6.514 1.00 0.00 C ATOM 945 C GLU A 62 -8.950 -0.394 -5.877 1.00 0.00 C ATOM 946 O GLU A 62 -9.392 -0.877 -4.838 1.00 0.00 O ATOM 947 CB GLU A 62 -9.979 0.586 -7.965 1.00 0.00 C ATOM 948 CG GLU A 62 -9.911 1.798 -8.908 1.00 0.00 C ATOM 949 CD GLU A 62 -10.334 1.393 -10.319 1.00 0.00 C ATOM 950 OE1 GLU A 62 -9.693 0.457 -10.853 1.00 0.00 O ATOM 951 OE2 GLU A 62 -11.274 2.013 -10.849 1.00 0.00 O ATOM 0 H GLU A 62 -7.559 1.436 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.415 1.215 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.355 -0.209 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.003 0.212 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.561 2.592 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.897 2.198 -8.925 1.00 0.00 H new ATOM 958 N THR A 63 -7.871 -0.880 -6.490 1.00 0.00 N ATOM 959 CA THR A 63 -7.183 -2.076 -6.069 1.00 0.00 C ATOM 960 C THR A 63 -6.499 -1.834 -4.730 1.00 0.00 C ATOM 961 O THR A 63 -6.492 -2.720 -3.881 1.00 0.00 O ATOM 962 CB THR A 63 -6.212 -2.497 -7.174 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.397 -1.406 -7.578 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.003 -2.968 -8.398 1.00 0.00 C ATOM 0 H THR A 63 -7.451 -0.437 -7.307 1.00 0.00 H new ATOM 0 HA THR A 63 -7.882 -2.898 -5.914 1.00 0.00 H new ATOM 0 HB THR A 63 -5.584 -3.297 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.899 -1.651 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.311 -3.268 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.629 -3.817 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.633 -2.155 -8.759 1.00 0.00 H new ATOM 972 N LEU A 64 -5.957 -0.627 -4.516 1.00 0.00 N ATOM 973 CA LEU A 64 -5.520 -0.237 -3.185 1.00 0.00 C ATOM 974 C LEU A 64 -6.652 -0.402 -2.173 1.00 0.00 C ATOM 975 O LEU A 64 -6.427 -0.936 -1.095 1.00 0.00 O ATOM 976 CB LEU A 64 -5.069 1.225 -3.168 1.00 0.00 C ATOM 977 CG LEU A 64 -3.545 1.410 -3.192 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.105 1.917 -4.558 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.118 2.411 -2.113 1.00 0.00 C ATOM 0 H LEU A 64 -5.816 0.079 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.686 -0.884 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.500 1.737 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.469 1.707 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.073 0.448 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.023 2.046 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.391 1.195 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.586 2.873 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.035 2.534 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.597 3.372 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.417 2.039 -1.133 1.00 0.00 H new ATOM 991 N MET A 65 -7.848 0.096 -2.490 1.00 0.00 N ATOM 992 CA MET A 65 -8.977 0.074 -1.584 1.00 0.00 C ATOM 993 C MET A 65 -9.297 -1.370 -1.206 1.00 0.00 C ATOM 994 O MET A 65 -9.339 -1.698 -0.024 1.00 0.00 O ATOM 995 CB MET A 65 -10.163 0.794 -2.239 1.00 0.00 C ATOM 996 CG MET A 65 -11.236 1.177 -1.218 1.00 0.00 C ATOM 997 SD MET A 65 -12.897 0.496 -1.484 1.00 0.00 S ATOM 998 CE MET A 65 -12.614 -1.249 -1.129 1.00 0.00 C ATOM 0 H MET A 65 -8.053 0.527 -3.391 1.00 0.00 H new ATOM 0 HA MET A 65 -8.744 0.604 -0.660 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.808 1.691 -2.745 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.602 0.150 -3.002 1.00 0.00 H new ATOM 0 HG2 MET A 65 -10.894 0.863 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.313 2.264 -1.198 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.569 -1.744 -0.953 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.114 -1.717 -1.977 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.987 -1.343 -0.242 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.495 -2.233 -2.206 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.774 -3.640 -2.003 1.00 0.00 C ATOM 1010 C GLU A 66 -8.707 -4.291 -1.118 1.00 0.00 C ATOM 1011 O GLU A 66 -9.019 -4.948 -0.128 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.816 -4.296 -3.381 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.180 -4.164 -4.066 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.160 -4.775 -5.465 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.160 -4.539 -6.182 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.133 -5.489 -5.787 1.00 0.00 O ATOM 0 H GLU A 66 -9.464 -1.961 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.727 -3.769 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.052 -3.846 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.566 -5.352 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.942 -4.657 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.457 -3.112 -4.130 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.441 -4.113 -1.491 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.303 -4.675 -0.785 1.00 0.00 C ATOM 1025 C TYR A 67 -6.319 -4.232 0.675 1.00 0.00 C ATOM 1026 O TYR A 67 -6.412 -5.060 1.565 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.038 -4.216 -1.511 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.736 -4.824 -1.037 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.552 -6.219 -1.067 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.641 -3.985 -0.766 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.287 -6.772 -0.817 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.384 -4.542 -0.496 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.205 -5.933 -0.514 1.00 0.00 C ATOM 1034 OH TYR A 67 0.002 -6.471 -0.200 1.00 0.00 O ATOM 0 H TYR A 67 -7.178 -3.563 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.340 -5.764 -0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.153 -4.437 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.964 -3.133 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.389 -6.867 -1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.769 -2.913 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.147 -7.842 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.548 -3.896 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 67 0.415 -5.950 0.520 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.243 -2.934 0.948 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.211 -2.439 2.318 1.00 0.00 C ATOM 1046 C LEU A 68 -7.434 -2.875 3.124 1.00 0.00 C ATOM 1047 O LEU A 68 -7.297 -3.201 4.302 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.049 -0.911 2.363 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.592 -0.418 2.362 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.766 -1.130 3.440 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -3.910 -0.560 1.000 1.00 0.00 C ATOM 0 H LEU A 68 -6.202 -2.205 0.236 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.336 -2.889 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.565 -0.479 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.545 -0.533 3.257 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.637 0.647 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.741 -0.761 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.199 -0.932 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.770 -2.204 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.885 -0.195 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.903 -1.609 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.455 0.023 0.258 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.619 -2.877 2.510 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.838 -3.304 3.185 1.00 0.00 C ATOM 1065 C GLU A 69 -9.779 -4.811 3.479 1.00 0.00 C ATOM 1066 O GLU A 69 -10.341 -5.263 4.476 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.076 -2.885 2.367 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.372 -2.880 3.203 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.592 -2.397 2.417 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.862 -3.011 1.363 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.257 -1.441 2.884 1.00 0.00 O ATOM 0 H GLU A 69 -8.756 -2.586 1.542 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.924 -2.804 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.912 -1.890 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.196 -3.565 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.562 -3.887 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.232 -2.240 4.075 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.114 -5.602 2.624 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.050 -7.051 2.788 1.00 0.00 C ATOM 1080 C ASN A 70 -7.879 -7.669 2.008 1.00 0.00 C ATOM 1081 O ASN A 70 -8.084 -8.224 0.932 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.385 -7.651 2.323 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.744 -8.920 3.081 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.907 -9.532 3.739 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.008 -9.330 2.998 1.00 0.00 N ATOM 0 H ASN A 70 -8.611 -5.253 1.808 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.878 -7.279 3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.178 -6.915 2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.330 -7.871 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.304 -10.174 3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.681 -8.800 2.443 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.637 -7.619 2.505 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.461 -7.830 1.669 1.00 0.00 C ATOM 1094 C PRO A 71 -5.289 -9.294 1.285 1.00 0.00 C ATOM 1095 O PRO A 71 -5.134 -9.627 0.111 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.279 -7.267 2.464 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.766 -7.289 3.915 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.281 -7.109 3.810 1.00 0.00 C ATOM 0 HA PRO A 71 -5.550 -7.318 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.384 -7.876 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.027 -6.256 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.510 -8.228 4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.310 -6.490 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.797 -7.655 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.560 -6.060 3.912 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.349 -10.175 2.282 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.254 -11.611 2.094 1.00 0.00 C ATOM 1108 C LYS A 72 -6.397 -12.145 1.223 1.00 0.00 C ATOM 1109 O LYS A 72 -6.262 -13.202 0.613 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.237 -12.286 3.469 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.964 -11.934 4.254 1.00 0.00 C ATOM 1112 CD LYS A 72 -3.900 -12.748 5.552 1.00 0.00 C ATOM 1113 CE LYS A 72 -2.573 -12.489 6.279 1.00 0.00 C ATOM 1114 NZ LYS A 72 -2.426 -13.333 7.484 1.00 0.00 N ATOM 0 H LYS A 72 -5.467 -9.901 3.257 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.330 -11.842 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.114 -11.977 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.302 -13.367 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.084 -12.138 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.952 -10.868 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.735 -12.480 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.999 -13.810 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.744 -12.682 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.515 -11.438 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.517 -13.126 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.203 -13.132 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.455 -14.336 7.211 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.530 -11.435 1.176 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.642 -11.803 0.314 1.00 0.00 C ATOM 1130 C LYS A 73 -8.344 -11.342 -1.111 1.00 0.00 C ATOM 1131 O LYS A 73 -8.448 -12.137 -2.041 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.942 -11.195 0.850 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.185 -12.000 0.447 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.549 -12.966 1.587 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.721 -13.891 1.235 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.301 -15.029 0.390 1.00 0.00 N ATOM 0 H LYS A 73 -7.694 -10.596 1.733 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.768 -12.886 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.889 -11.136 1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.040 -10.174 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.019 -11.328 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.992 -12.556 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.677 -13.571 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.802 -12.390 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.171 -14.269 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.489 -13.319 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.125 -15.626 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.895 -14.671 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.587 -15.591 0.895 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.985 -10.062 -1.279 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.655 -9.497 -2.574 1.00 0.00 C ATOM 1152 C TYR A 74 -6.591 -10.325 -3.303 1.00 0.00 C ATOM 1153 O TYR A 74 -6.699 -10.547 -4.509 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.205 -8.042 -2.402 1.00 0.00 C ATOM 1155 CG TYR A 74 -7.091 -7.294 -3.714 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -8.213 -7.226 -4.557 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.846 -6.825 -4.176 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -8.072 -6.807 -5.886 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.701 -6.420 -5.515 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.818 -6.411 -6.366 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.650 -6.313 -7.716 1.00 0.00 O ATOM 0 H TYR A 74 -7.918 -9.395 -0.511 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.549 -9.520 -3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.913 -7.523 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.240 -8.024 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.187 -7.498 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.003 -6.776 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.931 -6.789 -6.541 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.734 -6.117 -5.888 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.503 -6.074 -8.135 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.552 -10.750 -2.574 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.455 -11.557 -3.101 1.00 0.00 C ATOM 1173 C ILE A 75 -4.205 -12.738 -2.152 1.00 0.00 C ATOM 1174 O ILE A 75 -3.733 -12.524 -1.033 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.202 -10.685 -3.305 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.528 -9.611 -4.357 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.014 -11.543 -3.771 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.427 -8.575 -4.558 1.00 0.00 C ATOM 0 H ILE A 75 -5.452 -10.536 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.715 -11.961 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.923 -10.215 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.728 -10.101 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.444 -9.098 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.139 -10.908 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.797 -12.302 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.263 -12.028 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.738 -7.856 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.241 -8.055 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.514 -9.073 -4.884 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.493 -13.982 -2.574 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.357 -15.150 -1.722 1.00 0.00 C ATOM 1192 C PRO A 76 -2.877 -15.456 -1.481 1.00 0.00 C ATOM 1193 O PRO A 76 -2.223 -16.093 -2.303 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.083 -16.281 -2.458 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.943 -15.895 -3.929 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.983 -14.367 -3.892 1.00 0.00 C ATOM 0 HA PRO A 76 -4.792 -15.005 -0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.629 -17.250 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.129 -16.349 -2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.010 -16.264 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.753 -16.305 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.360 -13.942 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.996 -14.000 -4.054 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.353 -15.012 -0.336 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.001 -15.333 0.095 1.00 0.00 C ATOM 1206 C GLY A 77 0.030 -14.392 -0.526 1.00 0.00 C ATOM 1207 O GLY A 77 1.044 -14.837 -1.061 1.00 0.00 O ATOM 0 H GLY A 77 -2.862 -14.417 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.941 -15.271 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.766 -16.361 -0.179 1.00 0.00 H new ATOM 1211 N THR A 78 -0.214 -13.083 -0.418 1.00 0.00 N ATOM 1212 CA THR A 78 0.813 -12.076 -0.649 1.00 0.00 C ATOM 1213 C THR A 78 1.909 -12.188 0.424 1.00 0.00 C ATOM 1214 O THR A 78 1.777 -12.917 1.408 1.00 0.00 O ATOM 1215 CB THR A 78 0.183 -10.666 -0.699 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.189 -9.673 -0.781 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.674 -10.358 0.534 1.00 0.00 C ATOM 0 H THR A 78 -1.125 -12.698 -0.169 1.00 0.00 H new ATOM 0 HA THR A 78 1.283 -12.250 -1.617 1.00 0.00 H new ATOM 0 HB THR A 78 -0.453 -10.654 -1.584 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.133 -9.221 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.092 -9.355 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.484 -11.084 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.056 -10.416 1.430 1.00 0.00 H new ATOM 1225 N LYS A 79 2.984 -11.425 0.236 1.00 0.00 N ATOM 1226 CA LYS A 79 4.064 -11.262 1.195 1.00 0.00 C ATOM 1227 C LYS A 79 3.593 -10.388 2.365 1.00 0.00 C ATOM 1228 O LYS A 79 4.146 -10.478 3.459 1.00 0.00 O ATOM 1229 CB LYS A 79 5.246 -10.609 0.468 1.00 0.00 C ATOM 1230 CG LYS A 79 6.630 -10.835 1.085 1.00 0.00 C ATOM 1231 CD LYS A 79 7.667 -10.159 0.168 1.00 0.00 C ATOM 1232 CE LYS A 79 9.035 -9.940 0.830 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.721 -11.208 1.146 1.00 0.00 N ATOM 0 H LYS A 79 3.128 -10.887 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 79 4.369 -12.227 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.264 -10.979 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.065 -9.535 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.675 -10.413 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.838 -11.901 1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.800 -10.770 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.275 -9.196 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.664 -9.346 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.903 -9.364 1.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.639 -11.005 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.135 -11.766 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.873 -11.748 0.270 1.00 0.00 H new ATOM 1247 N MET A 80 2.625 -9.494 2.122 1.00 0.00 N ATOM 1248 CA MET A 80 2.120 -8.568 3.127 1.00 0.00 C ATOM 1249 C MET A 80 1.289 -9.306 4.172 1.00 0.00 C ATOM 1250 O MET A 80 0.571 -10.257 3.869 1.00 0.00 O ATOM 1251 CB MET A 80 1.295 -7.492 2.428 1.00 0.00 C ATOM 1252 CG MET A 80 0.666 -6.418 3.320 1.00 0.00 C ATOM 1253 SD MET A 80 0.499 -4.835 2.461 1.00 0.00 S ATOM 1254 CE MET A 80 -1.204 -4.308 2.799 1.00 0.00 C ATOM 0 H MET A 80 2.171 -9.398 1.213 1.00 0.00 H new ATOM 0 HA MET A 80 2.954 -8.101 3.650 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.933 -6.996 1.697 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.496 -7.983 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.315 -6.754 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.278 -6.284 4.212 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.392 -3.351 2.313 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.899 -5.054 2.413 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.345 -4.202 3.875 1.00 0.00 H new ATOM 1264 N ILE A 81 1.389 -8.846 5.417 1.00 0.00 N ATOM 1265 CA ILE A 81 0.802 -9.485 6.578 1.00 0.00 C ATOM 1266 C ILE A 81 -0.044 -8.422 7.270 1.00 0.00 C ATOM 1267 O ILE A 81 0.453 -7.668 8.105 1.00 0.00 O ATOM 1268 CB ILE A 81 1.923 -10.023 7.482 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.974 -10.864 6.729 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.338 -10.808 8.664 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.441 -12.182 6.154 1.00 0.00 C ATOM 0 H ILE A 81 1.898 -7.992 5.646 1.00 0.00 H new ATOM 0 HA ILE A 81 0.175 -10.338 6.317 1.00 0.00 H new ATOM 0 HB ILE A 81 2.453 -9.149 7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.383 -10.266 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.798 -11.085 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.149 -11.180 9.291 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.695 -10.154 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.754 -11.649 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.247 -12.708 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.059 -12.804 6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.638 -11.972 5.447 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.315 -8.316 6.881 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.203 -7.291 7.393 1.00 0.00 C ATOM 1285 C PHE A 82 -3.650 -7.766 7.264 1.00 0.00 C ATOM 1286 O PHE A 82 -3.883 -8.850 6.723 1.00 0.00 O ATOM 1287 CB PHE A 82 -1.927 -5.974 6.647 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.332 -4.756 7.437 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.601 -4.429 8.593 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.516 -4.063 7.132 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.087 -3.461 9.482 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.019 -3.118 8.038 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.322 -2.843 9.231 1.00 0.00 C ATOM 0 H PHE A 82 -1.750 -8.941 6.203 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.025 -7.105 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.865 -5.911 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.464 -5.980 5.698 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.663 -4.925 8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.036 -4.257 6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.514 -3.192 10.357 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.942 -2.601 7.821 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.738 -2.156 9.953 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.608 -6.981 7.771 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.030 -7.297 7.712 1.00 0.00 C ATOM 1305 C ALA A 83 -6.876 -6.022 7.674 1.00 0.00 C ATOM 1306 O ALA A 83 -7.537 -5.762 6.675 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.426 -8.196 8.887 1.00 0.00 C ATOM 0 H ALA A 83 -4.409 -6.097 8.239 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.224 -7.843 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.491 -8.423 8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.854 -9.123 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.215 -7.683 9.825 1.00 0.00 H new ATOM 1313 N GLY A 84 -6.865 -5.242 8.759 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.669 -4.037 8.909 1.00 0.00 C ATOM 1315 C GLY A 84 -6.958 -3.090 9.870 1.00 0.00 C ATOM 1316 O GLY A 84 -6.076 -3.524 10.609 1.00 0.00 O ATOM 0 H GLY A 84 -6.282 -5.440 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.812 -3.556 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.659 -4.288 9.290 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.310 -1.800 9.829 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.579 -0.727 10.500 1.00 0.00 C ATOM 1322 C ILE A 85 -7.520 0.169 11.310 1.00 0.00 C ATOM 1323 O ILE A 85 -7.138 0.626 12.389 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.711 0.046 9.487 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -4.962 1.193 10.180 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.503 0.593 8.300 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -3.755 1.663 9.364 1.00 0.00 C ATOM 0 H ILE A 85 -8.128 -1.469 9.317 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.895 -1.164 11.228 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.000 -0.678 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.643 2.030 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.629 0.866 11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.830 1.125 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.973 -0.232 7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.272 1.277 8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.254 2.475 9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.060 0.834 9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.090 2.015 8.388 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.740 0.418 10.813 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.775 1.117 11.542 1.00 0.00 C ATOM 1341 C LYS A 86 -11.130 0.430 11.315 1.00 0.00 C ATOM 1342 O LYS A 86 -11.538 -0.358 12.163 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.704 2.611 11.194 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.797 3.427 11.880 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.409 4.914 11.865 1.00 0.00 C ATOM 1346 CE LYS A 86 -11.560 5.841 12.285 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.811 5.814 13.739 1.00 0.00 N ATOM 0 H LYS A 86 -9.027 0.129 9.878 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.627 1.065 12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.728 3.002 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.788 2.733 10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.749 3.283 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.931 3.085 12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.563 5.069 12.534 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.078 5.187 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.329 6.861 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.468 5.548 11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.596 6.456 13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.058 4.847 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.955 6.120 14.245 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.833 0.703 10.208 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.141 0.111 9.923 1.00 0.00 C ATOM 1363 C LYS A 87 -13.648 0.328 8.486 1.00 0.00 C ATOM 1364 O LYS A 87 -14.037 -0.634 7.829 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.185 0.672 10.904 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.545 -0.008 10.673 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.341 -0.191 11.971 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.621 -0.993 11.676 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.369 -1.332 12.905 1.00 0.00 N ATOM 0 H LYS A 87 -11.507 1.343 9.484 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.006 -0.964 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.857 0.507 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.281 1.749 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.131 0.588 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.386 -0.981 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.735 -0.712 12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.597 0.780 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.263 -0.416 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.358 -1.910 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.222 -1.872 12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.768 -1.906 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.644 -0.458 13.396 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.767 1.594 8.075 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.348 2.054 6.807 1.00 0.00 C ATOM 1385 C LYS A 88 -13.849 3.451 6.379 1.00 0.00 C ATOM 1386 O LYS A 88 -13.990 3.800 5.211 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.887 2.043 6.850 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.484 0.629 6.758 1.00 0.00 C ATOM 1389 CD LYS A 88 -18.002 0.647 6.522 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.403 0.920 5.063 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.972 -0.156 4.140 1.00 0.00 N ATOM 0 H LYS A 88 -13.442 2.371 8.650 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.005 1.341 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.222 2.513 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.272 2.647 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.000 0.085 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.269 0.086 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.419 -0.312 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.450 1.409 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -19.486 1.032 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.966 1.865 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.436 -0.029 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.940 -0.115 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.237 -1.080 4.536 1.00 0.00 H new ATOM 1405 N THR A 89 -13.332 4.295 7.281 1.00 0.00 N ATOM 1406 CA THR A 89 -12.759 5.585 6.933 1.00 0.00 C ATOM 1407 C THR A 89 -11.397 5.405 6.264 1.00 0.00 C ATOM 1408 O THR A 89 -11.118 6.036 5.250 1.00 0.00 O ATOM 1409 CB THR A 89 -12.613 6.405 8.221 1.00 0.00 C ATOM 1410 OG1 THR A 89 -12.190 5.555 9.272 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.957 7.013 8.617 1.00 0.00 C ATOM 0 H THR A 89 -13.303 4.092 8.280 1.00 0.00 H new ATOM 0 HA THR A 89 -13.410 6.102 6.228 1.00 0.00 H new ATOM 0 HB THR A 89 -11.885 7.198 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.972 5.234 9.768 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.839 7.592 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.311 7.665 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.682 6.216 8.783 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.549 4.564 6.862 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.217 4.204 6.394 1.00 0.00 C ATOM 1421 C GLU A 90 -9.180 3.897 4.904 1.00 0.00 C ATOM 1422 O GLU A 90 -8.314 4.404 4.199 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.661 3.024 7.204 1.00 0.00 C ATOM 1424 CG GLU A 90 -9.392 1.675 7.083 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.877 1.840 7.218 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -11.291 2.414 8.255 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.558 1.588 6.210 1.00 0.00 O ATOM 0 H GLU A 90 -10.791 4.093 7.733 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.581 5.075 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.623 2.872 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.655 3.311 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.162 1.220 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.029 0.993 7.852 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.121 3.086 4.427 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.250 2.722 3.023 1.00 0.00 C ATOM 1436 C ARG A 91 -10.126 3.949 2.119 1.00 0.00 C ATOM 1437 O ARG A 91 -9.628 3.844 1.000 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.562 1.944 2.798 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.801 2.825 2.565 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.985 3.147 1.077 1.00 0.00 C ATOM 1441 NE ARG A 91 -14.067 4.104 0.838 1.00 0.00 N ATOM 1442 CZ ARG A 91 -15.282 3.832 0.358 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -15.731 2.571 0.322 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -16.017 4.851 -0.086 1.00 0.00 N ATOM 0 H ARG A 91 -10.830 2.655 5.021 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.428 2.061 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.435 1.285 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.744 1.307 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.688 2.315 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.702 3.752 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.054 3.550 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.193 2.226 0.533 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.872 5.080 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.143 1.810 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.661 2.371 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.646 5.800 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.951 4.681 -0.460 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.606 5.099 2.599 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.528 6.363 1.915 1.00 0.00 C ATOM 1460 C GLU A 92 -9.260 7.079 2.401 1.00 0.00 C ATOM 1461 O GLU A 92 -8.413 7.458 1.602 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.847 7.107 2.213 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.355 7.976 1.049 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.013 7.119 -0.023 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.158 6.677 0.234 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.354 6.867 -1.047 1.00 0.00 O ATOM 0 H GLU A 92 -11.072 5.163 3.504 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.437 6.286 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.614 6.376 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.705 7.739 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.069 8.710 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.524 8.532 0.616 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.129 7.277 3.716 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.080 8.068 4.354 1.00 0.00 C ATOM 1475 C ASP A 93 -6.672 7.630 3.956 1.00 0.00 C ATOM 1476 O ASP A 93 -5.899 8.433 3.447 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.226 8.032 5.882 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.373 9.437 6.426 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.530 10.305 6.098 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.414 9.660 7.072 1.00 0.00 O ATOM 0 H ASP A 93 -9.779 6.873 4.390 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.210 9.090 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.095 7.435 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.355 7.551 6.327 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.322 6.365 4.200 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.031 5.773 3.841 1.00 0.00 C ATOM 1487 C LEU A 94 -4.735 6.052 2.376 1.00 0.00 C ATOM 1488 O LEU A 94 -3.703 6.617 2.014 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.080 4.248 4.025 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.853 3.719 5.447 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.444 3.145 5.513 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -5.021 4.738 6.571 1.00 0.00 C ATOM 0 H LEU A 94 -6.946 5.706 4.666 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.263 6.206 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.052 3.895 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.330 3.802 3.372 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.632 2.977 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.254 2.761 6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.347 2.336 4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.721 3.927 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.837 4.255 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.310 5.553 6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.036 5.135 6.553 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.685 5.666 1.528 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.569 5.797 0.093 1.00 0.00 C ATOM 1506 C ILE A 95 -5.442 7.279 -0.281 1.00 0.00 C ATOM 1507 O ILE A 95 -4.942 7.596 -1.359 1.00 0.00 O ATOM 1508 CB ILE A 95 -6.766 5.075 -0.564 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.605 3.544 -0.498 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -6.912 5.417 -2.056 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.541 2.890 0.885 1.00 0.00 C ATOM 0 H ILE A 95 -6.565 5.249 1.830 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.665 5.319 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.639 5.413 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.437 3.096 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.694 3.280 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.768 4.884 -2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.064 6.490 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.008 5.120 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.427 1.812 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.690 3.289 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.460 3.103 1.431 1.00 0.00 H new ATOM 1523 N ALA A 96 -5.843 8.202 0.603 1.00 0.00 N ATOM 1524 CA ALA A 96 -5.917 9.611 0.281 1.00 0.00 C ATOM 1525 C ALA A 96 -4.620 10.275 0.724 1.00 0.00 C ATOM 1526 O ALA A 96 -4.110 11.157 0.036 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.164 10.209 0.928 1.00 0.00 C ATOM 0 H ALA A 96 -6.123 7.981 1.559 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.015 9.778 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.225 11.271 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.050 9.700 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.109 10.084 2.009 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.032 9.790 1.823 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.656 10.093 2.136 1.00 0.00 C ATOM 1535 C TYR A 97 -1.793 9.672 0.964 1.00 0.00 C ATOM 1536 O TYR A 97 -1.052 10.489 0.440 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.152 9.367 3.386 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.630 9.416 3.532 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.076 10.576 3.156 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.085 8.332 4.069 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.447 10.707 3.422 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.467 8.454 4.307 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.153 9.634 3.976 1.00 0.00 C ATOM 1544 OH TYR A 97 3.483 9.777 4.229 1.00 0.00 O ATOM 0 H TYR A 97 -4.498 9.188 2.502 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.595 11.164 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.611 9.813 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.475 8.327 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.447 11.377 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.424 7.408 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.956 11.633 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.007 7.630 4.750 1.00 0.00 H new ATOM 0 HH TYR A 97 3.956 8.960 3.965 1.00 0.00 H new ATOM 1554 N LEU A 98 -1.831 8.401 0.572 1.00 0.00 N ATOM 1555 CA LEU A 98 -0.847 7.921 -0.389 1.00 0.00 C ATOM 1556 C LEU A 98 -0.946 8.667 -1.721 1.00 0.00 C ATOM 1557 O LEU A 98 0.053 8.829 -2.422 1.00 0.00 O ATOM 1558 CB LEU A 98 -0.920 6.400 -0.528 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.652 5.708 0.821 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.865 4.200 0.665 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.751 5.986 1.380 1.00 0.00 C ATOM 0 H LEU A 98 -2.507 7.708 0.892 1.00 0.00 H new ATOM 0 HA LEU A 98 0.149 8.146 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.904 6.112 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.190 6.063 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.356 6.124 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.676 3.705 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.892 4.008 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.179 3.812 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.873 5.468 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.501 5.629 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.876 7.058 1.531 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.132 9.195 -2.035 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.354 9.993 -3.236 1.00 0.00 C ATOM 1575 C LYS A 99 -1.557 11.305 -3.220 1.00 0.00 C ATOM 1576 O LYS A 99 -1.298 11.875 -4.278 1.00 0.00 O ATOM 1577 CB LYS A 99 -3.861 10.220 -3.427 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.475 9.061 -4.211 1.00 0.00 C ATOM 1579 CD LYS A 99 -5.998 9.156 -4.364 1.00 0.00 C ATOM 1580 CE LYS A 99 -6.434 10.422 -5.119 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.777 10.272 -5.713 1.00 0.00 N ATOM 0 H LYS A 99 -2.966 9.079 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.978 9.440 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.348 10.310 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.031 11.157 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.021 9.024 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.227 8.125 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.363 8.276 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.461 9.148 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.432 11.271 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.712 10.643 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.283 11.179 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.686 9.982 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.310 9.549 -5.189 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.153 11.768 -2.035 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.227 12.877 -1.843 1.00 0.00 C ATOM 1597 C LYS A 100 1.180 12.399 -1.463 1.00 0.00 C ATOM 1598 O LYS A 100 2.136 13.109 -1.739 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.781 13.921 -0.857 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.708 13.546 0.636 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.082 14.676 1.464 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.976 15.926 1.503 1.00 0.00 C ATOM 1603 NZ LYS A 100 -0.179 17.170 1.512 1.00 0.00 N ATOM 0 H LYS A 100 -1.475 11.365 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.128 13.379 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.238 14.854 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.823 14.115 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.709 13.331 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.121 12.636 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.095 14.325 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.889 14.938 1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.639 15.926 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.609 15.893 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.817 17.991 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.436 17.182 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.406 17.214 0.653 1.00 0.00 H new ATOM 1617 N ALA A 101 1.332 11.226 -0.833 1.00 0.00 N ATOM 1618 CA ALA A 101 2.635 10.695 -0.431 1.00 0.00 C ATOM 1619 C ALA A 101 3.482 10.433 -1.666 1.00 0.00 C ATOM 1620 O ALA A 101 4.671 10.724 -1.711 1.00 0.00 O ATOM 1621 CB ALA A 101 2.488 9.402 0.372 1.00 0.00 C ATOM 0 H ALA A 101 0.550 10.619 -0.588 1.00 0.00 H new ATOM 0 HA ALA A 101 3.121 11.436 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.475 9.035 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.902 9.596 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.982 8.652 -0.236 1.00 0.00 H new ATOM 1627 N THR A 102 2.825 9.909 -2.699 1.00 0.00 N ATOM 1628 CA THR A 102 3.432 9.697 -3.999 1.00 0.00 C ATOM 1629 C THR A 102 3.779 11.021 -4.699 1.00 0.00 C ATOM 1630 O THR A 102 4.364 11.004 -5.781 1.00 0.00 O ATOM 1631 CB THR A 102 2.485 8.828 -4.833 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.191 9.400 -4.883 1.00 0.00 O ATOM 1633 CG2 THR A 102 2.363 7.434 -4.212 1.00 0.00 C ATOM 0 H THR A 102 1.848 9.619 -2.650 1.00 0.00 H new ATOM 0 HA THR A 102 4.384 9.180 -3.878 1.00 0.00 H new ATOM 0 HB THR A 102 2.898 8.761 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.681 9.126 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.687 6.826 -4.813 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.345 6.962 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.969 7.520 -3.199 1.00 0.00 H new ATOM 1641 N ASN A 103 3.418 12.164 -4.102 1.00 0.00 N ATOM 1642 CA ASN A 103 3.722 13.496 -4.600 1.00 0.00 C ATOM 1643 C ASN A 103 4.080 14.429 -3.432 1.00 0.00 C ATOM 1644 O ASN A 103 3.539 15.531 -3.337 1.00 0.00 O ATOM 1645 CB ASN A 103 2.499 14.000 -5.381 1.00 0.00 C ATOM 1646 CG ASN A 103 2.765 15.299 -6.138 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.896 15.620 -6.487 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.707 16.048 -6.441 1.00 0.00 N ATOM 0 H ASN A 103 2.889 12.179 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 103 4.586 13.475 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.185 13.232 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.671 14.153 -4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.828 16.909 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.776 15.761 -6.140 1.00 0.00 H new ATOM 1655 N GLU A 104 4.988 13.992 -2.551 1.00 0.00 N ATOM 1656 CA GLU A 104 5.682 14.844 -1.599 1.00 0.00 C ATOM 1657 C GLU A 104 7.158 14.439 -1.625 1.00 0.00 C ATOM 1658 O GLU A 104 7.985 15.246 -1.149 1.00 0.00 O ATOM 1659 CB GLU A 104 5.034 14.825 -0.198 1.00 0.00 C ATOM 1660 CG GLU A 104 4.979 13.484 0.566 1.00 0.00 C ATOM 1661 CD GLU A 104 5.747 13.511 1.884 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.508 14.472 2.652 1.00 0.00 O ATOM 1663 OE2 GLU A 104 6.493 12.542 2.135 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.429 13.358 -2.199 1.00 0.00 O ATOM 0 H GLU A 104 5.262 13.012 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 104 5.600 15.893 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.569 15.541 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.013 15.192 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.938 13.229 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.385 12.695 -0.068 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 2.066 -3.105 2.895 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.835 -4.122 -0.352 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.178 -0.537 1.698 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.202 -2.418 6.144 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.296 -5.539 4.101 1.00 0.00 C HETATM 1677 NA HEC A 105 1.540 -2.479 0.997 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.976 -3.036 -0.171 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.426 -2.256 -1.252 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.656 -1.255 -0.694 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.764 -1.386 0.747 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.121 -0.207 -1.465 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.602 -2.567 -2.722 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.024 -2.418 -3.295 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.380 -1.005 -3.746 1.00 0.00 C HETATM 1686 O1A HEC A 105 4.565 -0.812 -4.092 1.00 0.00 O HETATM 1687 O2A HEC A 105 2.470 -0.150 -3.762 1.00 0.00 O HETATM 1688 NB HEC A 105 0.910 -1.738 3.762 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.250 -0.759 3.086 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.372 0.080 4.081 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.183 -0.511 5.318 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.695 -1.630 5.110 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.016 1.406 3.790 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.873 -0.203 6.637 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.387 -0.387 6.537 1.00 0.00 C HETATM 1696 NC HEC A 105 2.616 -3.871 4.779 1.00 0.00 N HETATM 1697 C1C HEC A 105 2.129 -3.412 5.949 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.789 -4.109 7.023 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.759 -4.892 6.447 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.562 -4.816 5.020 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.552 -3.881 8.496 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.981 -5.475 7.123 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.710 -6.768 7.892 1.00 0.00 C HETATM 1704 ND HEC A 105 3.352 -4.538 2.038 1.00 0.00 N HETATM 1705 C1D HEC A 105 4.165 -5.383 2.735 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.906 -6.166 1.788 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.524 -5.749 0.536 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.495 -4.751 0.700 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.869 -7.274 2.127 1.00 0.00 C HETATM 1710 CAD HEC A 105 5.069 -6.276 -0.757 1.00 0.00 C HETATM 1711 CBD HEC A 105 4.432 -7.616 -1.105 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.544 -7.626 -2.327 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.323 -6.559 -2.940 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.122 -8.760 -2.625 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.677 -6.878 2.743 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.345 -8.057 2.675 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.283 -7.690 1.208 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.788 -2.847 8.747 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.507 -4.082 8.732 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 3.190 -4.549 9.075 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.277 2.084 3.364 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.832 1.266 3.081 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.408 1.831 4.714 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.566 0.378 -2.077 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.853 -0.696 -2.108 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.635 0.452 -0.766 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 5.227 -8.347 -1.251 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.845 -7.950 -0.250 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.971 -6.580 8.671 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.330 -7.526 7.207 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.635 -7.121 8.347 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.786 0.284 5.776 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.611 -1.418 6.265 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.846 -0.158 7.499 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.742 -2.736 -2.539 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.133 -3.095 -4.143 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.879 -5.559 -1.556 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 6.150 -6.391 -0.682 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.271 -3.591 -2.895 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.937 -1.916 -3.290 1.00 0.00 H new HETATM 0 HHD HEC A 105 5.015 -6.269 4.472 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.844 -2.235 7.157 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.362 0.341 1.343 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.996 -4.494 -1.364 1.00 0.00 H new HETATM 0 H2A HEC A 105 1.842 -0.354 -4.486 1.00 0.00 H new