USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 180:sc= 0.899 USER MOD Set 1.2: A 83 CYS SG : rot 55:sc= 0.421 USER MOD Set 2.1: A 48 ASN : amide:sc= -3.08! C(o=-4.1!,f=-11!) USER MOD Set 2.2: A 50 MET CE :methyl -164:sc= -1.07 (180deg=-0.59) USER MOD Set 3.1: A 6 THR OG1 : rot -140:sc= 0.258 USER MOD Set 3.2: A 29 SER OG : rot 146:sc= 1.76 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 17 SER OG : rot 180:sc= -0.117 USER MOD Single : A 20 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.23) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.94 USER MOD Single : A 32 SER OG : rot -64:sc= 0.0271! USER MOD Single : A 34 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.2) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 ASN : amide:sc= -2.95! C(o=-2.9!,f=-13!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.38) USER MOD Single : A 59 THR OG1 : rot 80:sc= -1.37! USER MOD Single : A 61 HIS : no HD1:sc= -0.0894 X(o=-0.089,f=-0.11) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-9.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 75 THR OG1 : rot 48:sc= 0.394 USER MOD Single : A 77 SER OG : rot 26:sc= 0.12 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -173:sc= 0.659 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.619 -10.484 14.137 1.00 0.00 N ATOM 45 CA GLU A 4 60.817 -10.519 13.300 1.00 0.00 C ATOM 46 C GLU A 4 61.022 -9.154 12.632 1.00 0.00 C ATOM 47 O GLU A 4 60.088 -8.357 12.541 1.00 0.00 O ATOM 48 CB GLU A 4 60.673 -11.634 12.228 1.00 0.00 C ATOM 49 CG GLU A 4 61.903 -12.560 12.221 1.00 0.00 C ATOM 50 CD GLU A 4 63.182 -11.740 12.104 1.00 0.00 C ATOM 51 OE1 GLU A 4 64.068 -11.945 12.918 1.00 0.00 O ATOM 52 OE2 GLU A 4 63.254 -10.920 11.209 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.687 -10.738 13.918 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.775 -12.219 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 4 60.549 -11.182 11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.925 -13.153 13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.835 -13.260 11.389 1.00 0.00 H new ATOM 59 N VAL A 5 62.240 -8.889 12.162 1.00 0.00 N ATOM 60 CA VAL A 5 62.520 -7.616 11.503 1.00 0.00 C ATOM 61 C VAL A 5 61.605 -7.466 10.293 1.00 0.00 C ATOM 62 O VAL A 5 61.515 -8.380 9.472 1.00 0.00 O ATOM 63 CB VAL A 5 64.007 -7.562 11.063 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.209 -8.269 9.710 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.460 -6.098 10.944 1.00 0.00 C ATOM 0 H VAL A 5 63.035 -9.526 12.223 1.00 0.00 H new ATOM 0 HA VAL A 5 62.335 -6.797 12.198 1.00 0.00 H new ATOM 0 HB VAL A 5 64.604 -8.076 11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.260 -8.216 9.425 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.908 -9.313 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.602 -7.779 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.505 -6.064 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.846 -5.586 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.351 -5.604 11.909 1.00 0.00 H new ATOM 75 N THR A 6 60.929 -6.328 10.158 1.00 0.00 N ATOM 76 CA THR A 6 60.055 -6.162 8.995 1.00 0.00 C ATOM 77 C THR A 6 60.925 -6.113 7.746 1.00 0.00 C ATOM 78 O THR A 6 61.967 -5.460 7.745 1.00 0.00 O ATOM 79 CB THR A 6 59.175 -4.903 9.105 1.00 0.00 C ATOM 80 OG1 THR A 6 58.160 -5.131 10.073 1.00 0.00 O ATOM 81 CG2 THR A 6 58.515 -4.593 7.754 1.00 0.00 C ATOM 0 H THR A 6 60.962 -5.540 10.804 1.00 0.00 H new ATOM 0 HA THR A 6 59.370 -7.008 8.943 1.00 0.00 H new ATOM 0 HB THR A 6 59.798 -4.059 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.316 -4.743 9.760 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.896 -3.701 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 6 59.286 -4.423 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.893 -5.435 7.451 1.00 0.00 H new ATOM 89 N ILE A 7 60.522 -6.853 6.709 1.00 0.00 N ATOM 90 CA ILE A 7 61.302 -6.943 5.466 1.00 0.00 C ATOM 91 C ILE A 7 60.603 -6.271 4.284 1.00 0.00 C ATOM 92 O ILE A 7 60.761 -6.692 3.138 1.00 0.00 O ATOM 93 CB ILE A 7 61.553 -8.433 5.173 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.849 -8.613 4.339 1.00 0.00 C ATOM 95 CG2 ILE A 7 60.349 -9.071 4.436 1.00 0.00 C ATOM 96 CD1 ILE A 7 64.075 -8.681 5.265 1.00 0.00 C ATOM 0 H ILE A 7 59.661 -7.399 6.703 1.00 0.00 H new ATOM 0 HA ILE A 7 62.243 -6.410 5.601 1.00 0.00 H new ATOM 0 HB ILE A 7 61.675 -8.944 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.783 -9.524 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.958 -7.783 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 7 60.557 -10.124 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 7 59.456 -8.985 5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 7 60.186 -8.554 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.977 -8.807 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.148 -7.758 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.970 -9.526 5.946 1.00 0.00 H new ATOM 108 N LEU A 8 59.841 -5.226 4.563 1.00 0.00 N ATOM 109 CA LEU A 8 59.135 -4.504 3.496 1.00 0.00 C ATOM 110 C LEU A 8 60.088 -3.514 2.825 1.00 0.00 C ATOM 111 O LEU A 8 60.203 -2.362 3.241 1.00 0.00 O ATOM 112 CB LEU A 8 57.899 -3.764 4.065 1.00 0.00 C ATOM 113 CG LEU A 8 56.623 -4.615 3.912 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.714 -5.889 4.764 1.00 0.00 C ATOM 115 CD2 LEU A 8 55.415 -3.788 4.364 1.00 0.00 C ATOM 0 H LEU A 8 59.691 -4.856 5.502 1.00 0.00 H new ATOM 0 HA LEU A 8 58.788 -5.223 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.062 -3.534 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.770 -2.814 3.547 1.00 0.00 H new ATOM 0 HG LEU A 8 56.514 -4.904 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.803 -6.475 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.572 -6.480 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.832 -5.618 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.507 -4.382 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.541 -3.500 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 8 55.336 -2.893 3.747 1.00 0.00 H new ATOM 127 N GLU A 9 60.770 -3.988 1.783 1.00 0.00 N ATOM 128 CA GLU A 9 61.731 -3.172 1.036 1.00 0.00 C ATOM 129 C GLU A 9 61.317 -3.092 -0.442 1.00 0.00 C ATOM 130 O GLU A 9 61.724 -3.934 -1.241 1.00 0.00 O ATOM 131 CB GLU A 9 63.124 -3.818 1.140 1.00 0.00 C ATOM 132 CG GLU A 9 62.977 -5.343 1.182 1.00 0.00 C ATOM 133 CD GLU A 9 64.308 -6.008 0.850 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.865 -5.688 -0.186 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.749 -6.832 1.636 1.00 0.00 O1- ATOM 0 H GLU A 9 60.674 -4.941 1.433 1.00 0.00 H new ATOM 0 HA GLU A 9 61.753 -2.166 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.738 -3.524 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.634 -3.466 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.642 -5.657 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.215 -5.662 0.471 1.00 0.00 H new ATOM 142 N PRO A 10 60.531 -2.111 -0.823 1.00 0.00 N ATOM 143 CA PRO A 10 60.090 -1.961 -2.238 1.00 0.00 C ATOM 144 C PRO A 10 61.251 -1.581 -3.169 1.00 0.00 C ATOM 145 O PRO A 10 61.038 -0.987 -4.224 1.00 0.00 O ATOM 146 CB PRO A 10 58.993 -0.868 -2.206 1.00 0.00 C ATOM 147 CG PRO A 10 58.832 -0.446 -0.764 1.00 0.00 C ATOM 148 CD PRO A 10 59.989 -1.054 0.042 1.00 0.00 C ATOM 0 HA PRO A 10 59.711 -2.901 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.277 -0.018 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.053 -1.253 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.841 0.641 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.874 -0.788 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.746 -0.305 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.640 -1.460 0.992 1.00 0.00 H new ATOM 156 N LEU A 11 62.472 -1.929 -2.769 1.00 0.00 N ATOM 157 CA LEU A 11 63.647 -1.620 -3.579 1.00 0.00 C ATOM 158 C LEU A 11 63.811 -2.647 -4.694 1.00 0.00 C ATOM 159 O LEU A 11 64.699 -3.498 -4.649 1.00 0.00 O ATOM 160 CB LEU A 11 64.898 -1.614 -2.694 1.00 0.00 C ATOM 161 CG LEU A 11 64.701 -0.639 -1.526 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.948 -0.652 -0.629 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.458 0.784 -2.062 1.00 0.00 C ATOM 0 H LEU A 11 62.672 -2.420 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 11 63.514 -0.635 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.091 -2.617 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.769 -1.322 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 11 63.834 -0.950 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.807 0.041 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.105 -1.658 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.818 -0.349 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.319 1.469 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.317 1.102 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.565 0.790 -2.688 1.00 0.00 H new ATOM 175 N GLN A 12 62.939 -2.557 -5.693 1.00 0.00 N ATOM 176 CA GLN A 12 62.972 -3.478 -6.825 1.00 0.00 C ATOM 177 C GLN A 12 64.133 -3.160 -7.772 1.00 0.00 C ATOM 178 O GLN A 12 65.078 -3.939 -7.889 1.00 0.00 O ATOM 179 CB GLN A 12 61.642 -3.393 -7.578 1.00 0.00 C ATOM 180 CG GLN A 12 60.535 -3.992 -6.706 1.00 0.00 C ATOM 181 CD GLN A 12 59.176 -3.812 -7.375 1.00 0.00 C ATOM 182 OE1 GLN A 12 59.026 -4.081 -8.566 1.00 0.00 O ATOM 183 NE2 GLN A 12 58.169 -3.371 -6.670 1.00 0.00 N ATOM 0 H GLN A 12 62.200 -1.855 -5.742 1.00 0.00 H new ATOM 0 HA GLN A 12 63.123 -4.489 -6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.411 -2.355 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.710 -3.932 -8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.728 -5.052 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 12 60.533 -3.511 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 12 58.296 -3.149 -5.683 1.00 0.00 H new ATOM 0 HE22 GLN A 12 57.255 -3.249 -7.107 1.00 0.00 H new ATOM 192 N ASP A 13 64.053 -2.015 -8.445 1.00 0.00 N ATOM 193 CA ASP A 13 65.100 -1.607 -9.384 1.00 0.00 C ATOM 194 C ASP A 13 64.854 -0.183 -9.866 1.00 0.00 C ATOM 195 O ASP A 13 63.731 0.167 -10.230 1.00 0.00 O ATOM 196 CB ASP A 13 65.128 -2.550 -10.589 1.00 0.00 C ATOM 197 CG ASP A 13 66.179 -2.083 -11.591 1.00 0.00 C ATOM 198 OD1 ASP A 13 66.178 -2.590 -12.701 1.00 0.00 O ATOM 199 OD2 ASP A 13 66.969 -1.224 -11.235 1.00 0.00 O1- ATOM 0 H ASP A 13 63.280 -1.355 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 13 66.059 -1.652 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.351 -3.565 -10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 13 64.147 -2.576 -11.064 1.00 0.00 H new ATOM 204 N VAL A 14 65.907 0.643 -9.864 1.00 0.00 N ATOM 205 CA VAL A 14 65.784 2.041 -10.305 1.00 0.00 C ATOM 206 C VAL A 14 66.775 2.344 -11.430 1.00 0.00 C ATOM 207 O VAL A 14 67.903 1.846 -11.432 1.00 0.00 O ATOM 208 CB VAL A 14 66.013 2.992 -9.124 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.912 2.780 -8.082 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.374 2.717 -8.479 1.00 0.00 C ATOM 0 H VAL A 14 66.845 0.374 -9.566 1.00 0.00 H new ATOM 0 HA VAL A 14 64.775 2.192 -10.688 1.00 0.00 H new ATOM 0 HB VAL A 14 65.991 4.019 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 65.072 3.455 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.941 2.985 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.938 1.749 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.524 3.399 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.405 1.688 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.163 2.868 -9.216 1.00 0.00 H new ATOM 220 N GLN A 15 66.333 3.156 -12.397 1.00 0.00 N ATOM 221 CA GLN A 15 67.167 3.524 -13.548 1.00 0.00 C ATOM 222 C GLN A 15 67.172 5.047 -13.744 1.00 0.00 C ATOM 223 O GLN A 15 66.150 5.640 -14.087 1.00 0.00 O ATOM 224 CB GLN A 15 66.613 2.843 -14.806 1.00 0.00 C ATOM 225 CG GLN A 15 66.804 1.325 -14.691 1.00 0.00 C ATOM 226 CD GLN A 15 66.156 0.619 -15.881 1.00 0.00 C ATOM 227 OE1 GLN A 15 64.961 0.783 -16.126 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.873 -0.174 -16.630 1.00 0.00 N ATOM 0 H GLN A 15 65.401 3.571 -12.406 1.00 0.00 H new ATOM 0 HA GLN A 15 68.190 3.195 -13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.556 3.079 -14.925 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.125 3.219 -15.692 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.867 1.087 -14.653 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.363 0.965 -13.761 1.00 0.00 H new ATOM 0 HE21 GLN A 15 67.863 -0.310 -16.427 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.443 -0.658 -17.418 1.00 0.00 H new ATOM 237 N LEU A 16 68.339 5.669 -13.525 1.00 0.00 N ATOM 238 CA LEU A 16 68.501 7.130 -13.671 1.00 0.00 C ATOM 239 C LEU A 16 69.611 7.446 -14.685 1.00 0.00 C ATOM 240 O LEU A 16 70.557 6.681 -14.830 1.00 0.00 O ATOM 241 CB LEU A 16 68.873 7.764 -12.309 1.00 0.00 C ATOM 242 CG LEU A 16 67.625 8.126 -11.471 1.00 0.00 C ATOM 243 CD1 LEU A 16 66.827 9.264 -12.140 1.00 0.00 C ATOM 244 CD2 LEU A 16 66.728 6.895 -11.274 1.00 0.00 C ATOM 0 H LEU A 16 69.191 5.184 -13.245 1.00 0.00 H new ATOM 0 HA LEU A 16 67.556 7.544 -14.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.497 7.070 -11.746 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.467 8.662 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 16 67.964 8.470 -10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 16 65.954 9.502 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 16 67.459 10.148 -12.229 1.00 0.00 H new ATOM 0 HD13 LEU A 16 66.504 8.948 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 16 65.856 7.171 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 16 66.404 6.522 -12.245 1.00 0.00 H new ATOM 0 HD23 LEU A 16 67.287 6.117 -10.755 1.00 0.00 H new ATOM 256 N SER A 17 69.507 8.590 -15.360 1.00 0.00 N ATOM 257 CA SER A 17 70.535 8.987 -16.325 1.00 0.00 C ATOM 258 C SER A 17 71.802 9.424 -15.587 1.00 0.00 C ATOM 259 O SER A 17 71.743 9.836 -14.432 1.00 0.00 O ATOM 260 CB SER A 17 70.025 10.135 -17.205 1.00 0.00 C ATOM 261 OG SER A 17 69.147 9.613 -18.192 1.00 0.00 O ATOM 0 H SER A 17 68.735 9.250 -15.261 1.00 0.00 H new ATOM 0 HA SER A 17 70.766 8.132 -16.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.507 10.874 -16.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.863 10.645 -17.680 1.00 0.00 H new ATOM 0 HG SER A 17 68.817 10.344 -18.756 1.00 0.00 H new ATOM 267 N GLU A 18 72.948 9.323 -16.256 1.00 0.00 N ATOM 268 CA GLU A 18 74.218 9.707 -15.640 1.00 0.00 C ATOM 269 C GLU A 18 74.194 11.174 -15.223 1.00 0.00 C ATOM 270 O GLU A 18 73.691 12.029 -15.952 1.00 0.00 O ATOM 271 CB GLU A 18 75.374 9.466 -16.621 1.00 0.00 C ATOM 272 CG GLU A 18 76.716 9.807 -15.955 1.00 0.00 C ATOM 273 CD GLU A 18 76.941 11.317 -15.945 1.00 0.00 C ATOM 274 OE1 GLU A 18 77.486 11.808 -14.969 1.00 0.00 O ATOM 275 OE2 GLU A 18 76.565 11.959 -16.913 1.00 0.00 O1- ATOM 0 H GLU A 18 73.025 8.982 -17.214 1.00 0.00 H new ATOM 0 HA GLU A 18 74.366 9.094 -14.751 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.375 8.425 -16.945 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.237 10.077 -17.513 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.729 9.425 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.529 9.316 -16.490 1.00 0.00 H new ATOM 282 N GLY A 19 74.756 11.458 -14.051 1.00 0.00 N ATOM 283 CA GLY A 19 74.812 12.829 -13.544 1.00 0.00 C ATOM 284 C GLY A 19 73.548 13.203 -12.773 1.00 0.00 C ATOM 285 O GLY A 19 73.441 14.314 -12.255 1.00 0.00 O ATOM 0 H GLY A 19 75.178 10.762 -13.436 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.680 12.941 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.947 13.519 -14.377 1.00 0.00 H new ATOM 289 N GLN A 20 72.594 12.279 -12.696 1.00 0.00 N ATOM 290 CA GLN A 20 71.343 12.540 -11.977 1.00 0.00 C ATOM 291 C GLN A 20 71.452 12.091 -10.524 1.00 0.00 C ATOM 292 O GLN A 20 72.395 11.397 -10.146 1.00 0.00 O ATOM 293 CB GLN A 20 70.178 11.799 -12.642 1.00 0.00 C ATOM 294 CG GLN A 20 69.903 12.379 -14.031 1.00 0.00 C ATOM 295 CD GLN A 20 69.405 13.816 -13.914 1.00 0.00 C ATOM 296 OE1 GLN A 20 70.159 14.758 -14.167 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.174 14.044 -13.543 1.00 0.00 N ATOM 0 H GLN A 20 72.658 11.352 -13.116 1.00 0.00 H new ATOM 0 HA GLN A 20 71.158 13.614 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.412 10.738 -12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.285 11.881 -12.023 1.00 0.00 H new ATOM 0 HG2 GLN A 20 70.812 12.349 -14.632 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.160 11.770 -14.547 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.551 13.264 -13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.835 15.003 -13.462 1.00 0.00 H new ATOM 306 N ASP A 21 70.472 12.489 -9.718 1.00 0.00 N ATOM 307 CA ASP A 21 70.450 12.122 -8.305 1.00 0.00 C ATOM 308 C ASP A 21 69.827 10.745 -8.128 1.00 0.00 C ATOM 309 O ASP A 21 69.161 10.232 -9.027 1.00 0.00 O ATOM 310 CB ASP A 21 69.637 13.149 -7.510 1.00 0.00 C ATOM 311 CG ASP A 21 70.423 14.446 -7.361 1.00 0.00 C ATOM 312 OD1 ASP A 21 71.634 14.401 -7.496 1.00 0.00 O ATOM 313 OD2 ASP A 21 69.800 15.467 -7.117 1.00 0.00 O1- ATOM 0 H ASP A 21 69.685 13.064 -10.018 1.00 0.00 H new ATOM 0 HA ASP A 21 71.476 12.103 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 21 68.692 13.345 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 21 69.395 12.748 -6.526 1.00 0.00 H new ATOM 318 N ALA A 22 70.039 10.159 -6.956 1.00 0.00 N ATOM 319 CA ALA A 22 69.485 8.845 -6.656 1.00 0.00 C ATOM 320 C ALA A 22 69.292 8.698 -5.153 1.00 0.00 C ATOM 321 O ALA A 22 69.990 9.332 -4.369 1.00 0.00 O ATOM 322 CB ALA A 22 70.426 7.750 -7.169 1.00 0.00 C ATOM 0 H ALA A 22 70.588 10.571 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 22 68.520 8.744 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.004 6.771 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.547 7.850 -8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.397 7.849 -6.684 1.00 0.00 H new ATOM 328 N SER A 23 68.341 7.858 -4.756 1.00 0.00 N ATOM 329 CA SER A 23 68.077 7.642 -3.338 1.00 0.00 C ATOM 330 C SER A 23 67.411 6.290 -3.118 1.00 0.00 C ATOM 331 O SER A 23 66.833 5.712 -4.039 1.00 0.00 O ATOM 332 CB SER A 23 67.187 8.762 -2.791 1.00 0.00 C ATOM 333 OG SER A 23 66.037 8.902 -3.613 1.00 0.00 O ATOM 0 H SER A 23 67.747 7.321 -5.388 1.00 0.00 H new ATOM 0 HA SER A 23 69.027 7.651 -2.804 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.889 8.536 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 23 67.742 9.700 -2.762 1.00 0.00 H new ATOM 0 HG SER A 23 65.468 9.618 -3.260 1.00 0.00 H new ATOM 339 N PHE A 24 67.507 5.787 -1.889 1.00 0.00 N ATOM 340 CA PHE A 24 66.924 4.491 -1.535 1.00 0.00 C ATOM 341 C PHE A 24 66.129 4.605 -0.237 1.00 0.00 C ATOM 342 O PHE A 24 66.478 5.382 0.647 1.00 0.00 O ATOM 343 CB PHE A 24 68.041 3.460 -1.345 1.00 0.00 C ATOM 344 CG PHE A 24 68.723 3.180 -2.664 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.906 3.851 -3.004 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.176 2.239 -3.544 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.543 3.577 -4.222 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.811 1.967 -4.762 1.00 0.00 C ATOM 349 CZ PHE A 24 69.993 2.636 -5.102 1.00 0.00 C ATOM 0 H PHE A 24 67.984 6.257 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 24 66.259 4.177 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.768 3.830 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.628 2.537 -0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 24 70.327 4.580 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.264 1.723 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.457 4.091 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.388 1.240 -5.440 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.481 2.427 -6.043 1.00 0.00 H new ATOM 359 N GLN A 25 65.059 3.823 -0.134 1.00 0.00 N ATOM 360 CA GLN A 25 64.207 3.831 1.056 1.00 0.00 C ATOM 361 C GLN A 25 63.831 2.401 1.442 1.00 0.00 C ATOM 362 O GLN A 25 63.249 1.667 0.642 1.00 0.00 O ATOM 363 CB GLN A 25 62.944 4.639 0.760 1.00 0.00 C ATOM 364 CG GLN A 25 62.048 4.688 1.998 1.00 0.00 C ATOM 365 CD GLN A 25 60.837 5.568 1.714 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.079 5.296 0.783 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.604 6.611 2.462 1.00 0.00 N ATOM 0 H GLN A 25 64.759 3.173 -0.861 1.00 0.00 H new ATOM 0 HA GLN A 25 64.747 4.285 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 25 63.213 5.651 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.403 4.190 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.725 3.682 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.605 5.081 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.232 6.836 3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.793 7.201 2.276 1.00 0.00 H new ATOM 376 N CYS A 26 64.176 2.005 2.670 1.00 0.00 N ATOM 377 CA CYS A 26 63.879 0.649 3.150 1.00 0.00 C ATOM 378 C CYS A 26 63.188 0.688 4.512 1.00 0.00 C ATOM 379 O CYS A 26 63.656 1.347 5.442 1.00 0.00 O ATOM 380 CB CYS A 26 65.179 -0.150 3.258 1.00 0.00 C ATOM 381 SG CYS A 26 64.836 -1.765 3.999 1.00 0.00 S ATOM 0 H CYS A 26 64.657 2.597 3.347 1.00 0.00 H new ATOM 0 HA CYS A 26 63.207 0.171 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.623 -0.278 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.903 0.394 3.865 1.00 0.00 H new ATOM 0 HG CYS A 26 65.941 -2.445 4.089 1.00 0.00 H new ATOM 387 N ARG A 27 62.070 -0.032 4.623 1.00 0.00 N ATOM 388 CA ARG A 27 61.311 -0.088 5.874 1.00 0.00 C ATOM 389 C ARG A 27 61.653 -1.366 6.637 1.00 0.00 C ATOM 390 O ARG A 27 61.237 -2.465 6.252 1.00 0.00 O ATOM 391 CB ARG A 27 59.796 -0.053 5.560 1.00 0.00 C ATOM 392 CG ARG A 27 58.987 0.559 6.723 1.00 0.00 C ATOM 393 CD ARG A 27 58.871 -0.438 7.883 1.00 0.00 C ATOM 394 NE ARG A 27 58.023 0.115 8.943 1.00 0.00 N ATOM 395 CZ ARG A 27 58.544 0.629 10.057 1.00 0.00 C ATOM 396 NH1 ARG A 27 58.852 -0.154 11.054 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 58.749 1.915 10.152 1.00 0.00 N ATOM 0 H ARG A 27 61.671 -0.583 3.863 1.00 0.00 H new ATOM 0 HA ARG A 27 61.573 0.771 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.625 0.527 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.442 -1.065 5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.471 1.473 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 27 57.992 0.837 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 27 58.451 -1.377 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 27 59.861 -0.663 8.279 1.00 0.00 H new ATOM 0 HE ARG A 27 57.010 0.106 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 27 58.694 -1.159 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.251 0.239 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.510 2.528 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.148 2.306 11.005 1.00 0.00 H new ATOM 411 N LEU A 28 62.388 -1.209 7.741 1.00 0.00 N ATOM 412 CA LEU A 28 62.758 -2.348 8.583 1.00 0.00 C ATOM 413 C LEU A 28 62.255 -2.119 9.996 1.00 0.00 C ATOM 414 O LEU A 28 62.498 -1.067 10.578 1.00 0.00 O ATOM 415 CB LEU A 28 64.277 -2.535 8.633 1.00 0.00 C ATOM 416 CG LEU A 28 64.854 -2.694 7.224 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.368 -2.885 7.328 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.237 -3.915 6.527 1.00 0.00 C ATOM 0 H LEU A 28 62.737 -0.309 8.071 1.00 0.00 H new ATOM 0 HA LEU A 28 62.306 -3.242 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.737 -1.678 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.520 -3.413 9.231 1.00 0.00 H new ATOM 0 HG LEU A 28 64.624 -1.803 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.790 -2.999 6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.812 -2.015 7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.583 -3.777 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.658 -4.014 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.457 -4.813 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.157 -3.786 6.455 1.00 0.00 H new ATOM 430 N SER A 29 61.565 -3.109 10.553 1.00 0.00 N ATOM 431 CA SER A 29 61.053 -2.998 11.923 1.00 0.00 C ATOM 432 C SER A 29 62.051 -3.624 12.876 1.00 0.00 C ATOM 433 O SER A 29 63.052 -4.180 12.436 1.00 0.00 O ATOM 434 CB SER A 29 59.697 -3.687 12.063 1.00 0.00 C ATOM 435 OG SER A 29 58.728 -2.975 11.301 1.00 0.00 O ATOM 0 H SER A 29 61.347 -3.990 10.087 1.00 0.00 H new ATOM 0 HA SER A 29 60.918 -1.943 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.763 -4.719 11.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.400 -3.721 13.111 1.00 0.00 H new ATOM 0 HG SER A 29 58.076 -3.606 10.930 1.00 0.00 H new ATOM 441 N ARG A 30 61.780 -3.533 14.174 1.00 0.00 N ATOM 442 CA ARG A 30 62.690 -4.089 15.171 1.00 0.00 C ATOM 443 C ARG A 30 62.931 -5.573 14.930 1.00 0.00 C ATOM 444 O ARG A 30 62.015 -6.325 14.596 1.00 0.00 O ATOM 445 CB ARG A 30 62.125 -3.870 16.577 1.00 0.00 C ATOM 446 CG ARG A 30 60.794 -4.610 16.733 1.00 0.00 C ATOM 447 CD ARG A 30 60.216 -4.311 18.118 1.00 0.00 C ATOM 448 NE ARG A 30 58.947 -5.005 18.308 1.00 0.00 N ATOM 449 CZ ARG A 30 58.228 -4.829 19.412 1.00 0.00 C ATOM 450 NH1 ARG A 30 58.814 -4.462 20.520 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 56.937 -5.015 19.391 1.00 0.00 N ATOM 0 H ARG A 30 60.948 -3.085 14.558 1.00 0.00 H new ATOM 0 HA ARG A 30 63.646 -3.573 15.083 1.00 0.00 H new ATOM 0 HB2 ARG A 30 62.837 -4.225 17.322 1.00 0.00 H new ATOM 0 HB3 ARG A 30 61.980 -2.805 16.757 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.095 -4.295 15.958 1.00 0.00 H new ATOM 0 HG3 ARG A 30 60.943 -5.683 16.611 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.924 -4.620 18.887 1.00 0.00 H new ATOM 0 HD3 ARG A 30 60.069 -3.237 18.232 1.00 0.00 H new ATOM 0 HE ARG A 30 58.606 -5.635 17.582 1.00 0.00 H new ATOM 0 HH11 ARG A 30 59.823 -4.311 20.538 1.00 0.00 H new ATOM 0 HH12 ARG A 30 58.263 -4.327 21.368 1.00 0.00 H new ATOM 0 HH21 ARG A 30 56.476 -5.296 18.526 1.00 0.00 H new ATOM 0 HH22 ARG A 30 56.388 -4.879 20.240 1.00 0.00 H new ATOM 465 N ALA A 31 64.190 -5.973 15.090 1.00 0.00 N ATOM 466 CA ALA A 31 64.591 -7.358 14.880 1.00 0.00 C ATOM 467 C ALA A 31 64.237 -8.226 16.077 1.00 0.00 C ATOM 468 O ALA A 31 63.615 -7.762 17.035 1.00 0.00 O ATOM 469 CB ALA A 31 66.099 -7.431 14.627 1.00 0.00 C ATOM 0 H ALA A 31 64.952 -5.353 15.366 1.00 0.00 H new ATOM 0 HA ALA A 31 64.050 -7.734 14.012 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.392 -8.469 14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.348 -6.847 13.741 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.632 -7.029 15.489 1.00 0.00 H new ATOM 475 N SER A 32 64.637 -9.494 16.013 1.00 0.00 N ATOM 476 CA SER A 32 64.357 -10.435 17.093 1.00 0.00 C ATOM 477 C SER A 32 65.502 -11.426 17.219 1.00 0.00 C ATOM 478 O SER A 32 66.180 -11.484 18.246 1.00 0.00 O ATOM 479 CB SER A 32 63.055 -11.181 16.804 1.00 0.00 C ATOM 480 OG SER A 32 63.250 -12.061 15.705 1.00 0.00 O ATOM 0 H SER A 32 65.154 -9.891 15.228 1.00 0.00 H new ATOM 0 HA SER A 32 64.254 -9.887 18.029 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.742 -11.744 17.684 1.00 0.00 H new ATOM 0 HB3 SER A 32 62.258 -10.472 16.579 1.00 0.00 H new ATOM 0 HG SER A 32 63.451 -11.539 14.900 1.00 0.00 H new ATOM 486 N GLY A 33 65.723 -12.195 16.157 1.00 0.00 N ATOM 487 CA GLY A 33 66.802 -13.178 16.139 1.00 0.00 C ATOM 488 C GLY A 33 68.054 -12.576 15.517 1.00 0.00 C ATOM 489 O GLY A 33 69.035 -12.313 16.214 1.00 0.00 O ATOM 0 H GLY A 33 65.171 -12.157 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.016 -13.512 17.154 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.493 -14.057 15.573 1.00 0.00 H new ATOM 493 N GLN A 34 68.017 -12.358 14.199 1.00 0.00 N ATOM 494 CA GLN A 34 69.162 -11.784 13.486 1.00 0.00 C ATOM 495 C GLN A 34 68.786 -10.510 12.749 1.00 0.00 C ATOM 496 O GLN A 34 67.764 -10.442 12.067 1.00 0.00 O ATOM 497 CB GLN A 34 69.728 -12.797 12.485 1.00 0.00 C ATOM 498 CG GLN A 34 70.356 -13.976 13.234 1.00 0.00 C ATOM 499 CD GLN A 34 71.579 -13.506 14.016 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.520 -12.966 13.434 1.00 0.00 O ATOM 501 NE2 GLN A 34 71.618 -13.670 15.310 1.00 0.00 N ATOM 0 H GLN A 34 67.213 -12.568 13.608 1.00 0.00 H new ATOM 0 HA GLN A 34 69.917 -11.539 14.233 1.00 0.00 H new ATOM 0 HB2 GLN A 34 68.935 -13.154 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 34 70.475 -12.318 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 34 69.626 -14.416 13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.643 -14.755 12.528 1.00 0.00 H new ATOM 0 HE21 GLN A 34 70.838 -14.117 15.791 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.429 -13.351 15.840 1.00 0.00 H new ATOM 510 N GLU A 35 69.648 -9.506 12.881 1.00 0.00 N ATOM 511 CA GLU A 35 69.438 -8.228 12.217 1.00 0.00 C ATOM 512 C GLU A 35 70.018 -8.269 10.808 1.00 0.00 C ATOM 513 O GLU A 35 71.042 -8.911 10.569 1.00 0.00 O ATOM 514 CB GLU A 35 70.108 -7.106 13.020 1.00 0.00 C ATOM 515 CG GLU A 35 71.621 -7.337 13.084 1.00 0.00 C ATOM 516 CD GLU A 35 72.272 -6.270 13.959 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.721 -5.185 14.045 1.00 0.00 O ATOM 518 OE2 GLU A 35 73.318 -6.550 14.522 1.00 0.00 O1- ATOM 0 H GLU A 35 70.498 -9.555 13.442 1.00 0.00 H new ATOM 0 HA GLU A 35 68.367 -8.035 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 69.899 -6.142 12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 35 69.694 -7.072 14.028 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.830 -8.328 13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 35 72.045 -7.306 12.080 1.00 0.00 H new ATOM 525 N ALA A 36 69.364 -7.582 9.885 1.00 0.00 N ATOM 526 CA ALA A 36 69.833 -7.549 8.508 1.00 0.00 C ATOM 527 C ALA A 36 71.115 -6.732 8.419 1.00 0.00 C ATOM 528 O ALA A 36 71.301 -5.775 9.171 1.00 0.00 O ATOM 529 CB ALA A 36 68.766 -6.913 7.613 1.00 0.00 C ATOM 0 H ALA A 36 68.515 -7.045 10.061 1.00 0.00 H new ATOM 0 HA ALA A 36 70.028 -8.569 8.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.122 -6.890 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.849 -7.499 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.567 -5.896 7.951 1.00 0.00 H new ATOM 535 N ARG A 37 72.000 -7.109 7.498 1.00 0.00 N ATOM 536 CA ARG A 37 73.264 -6.392 7.322 1.00 0.00 C ATOM 537 C ARG A 37 73.177 -5.492 6.103 1.00 0.00 C ATOM 538 O ARG A 37 72.547 -5.840 5.105 1.00 0.00 O ATOM 539 CB ARG A 37 74.426 -7.378 7.142 1.00 0.00 C ATOM 540 CG ARG A 37 74.559 -8.282 8.380 1.00 0.00 C ATOM 541 CD ARG A 37 75.362 -7.572 9.477 1.00 0.00 C ATOM 542 NE ARG A 37 75.554 -8.471 10.614 1.00 0.00 N ATOM 543 CZ ARG A 37 76.610 -9.280 10.688 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.787 -8.844 10.331 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.468 -10.507 11.113 1.00 0.00 N ATOM 0 H ARG A 37 71.868 -7.899 6.867 1.00 0.00 H new ATOM 0 HA ARG A 37 73.446 -5.791 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.259 -7.988 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.355 -6.830 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.570 -8.543 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 37 75.052 -9.215 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.329 -7.256 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 37 74.838 -6.672 9.798 1.00 0.00 H new ATOM 0 HE ARG A 37 74.865 -8.479 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.896 -7.887 9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.598 -9.461 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 37 75.547 -10.848 11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.278 -11.124 11.169 1.00 0.00 H new ATOM 559 N TRP A 38 73.805 -4.328 6.202 1.00 0.00 N ATOM 560 CA TRP A 38 73.801 -3.351 5.117 1.00 0.00 C ATOM 561 C TRP A 38 75.140 -3.406 4.378 1.00 0.00 C ATOM 562 O TRP A 38 76.193 -3.400 5.017 1.00 0.00 O ATOM 563 CB TRP A 38 73.583 -1.960 5.734 1.00 0.00 C ATOM 564 CG TRP A 38 73.029 -1.020 4.721 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.766 -0.189 3.958 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.639 -0.793 4.360 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.917 0.533 3.139 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.595 0.195 3.350 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.423 -1.345 4.802 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.389 0.623 2.797 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.206 -0.917 4.247 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.189 0.064 3.246 1.00 0.00 C ATOM 0 H TRP A 38 74.327 -4.034 7.027 1.00 0.00 H new ATOM 0 HA TRP A 38 73.006 -3.567 4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.901 -2.034 6.581 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.527 -1.574 6.118 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.842 -0.101 3.982 1.00 0.00 H new ATOM 0 HE1 TRP A 38 73.229 1.230 2.462 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.425 -2.102 5.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.382 1.381 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.278 -1.346 4.594 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.250 0.388 2.822 1.00 0.00 H new ATOM 583 N ALA A 39 75.113 -3.476 3.040 1.00 0.00 N ATOM 584 CA ALA A 39 76.369 -3.551 2.295 1.00 0.00 C ATOM 585 C ALA A 39 76.159 -3.445 0.785 1.00 0.00 C ATOM 586 O ALA A 39 75.116 -3.827 0.267 1.00 0.00 O ATOM 587 CB ALA A 39 77.054 -4.884 2.605 1.00 0.00 C ATOM 0 H ALA A 39 74.266 -3.482 2.471 1.00 0.00 H new ATOM 0 HA ALA A 39 76.986 -2.708 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.992 -4.948 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.257 -4.949 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.402 -5.706 2.309 1.00 0.00 H new ATOM 593 N LEU A 40 77.184 -2.949 0.089 1.00 0.00 N ATOM 594 CA LEU A 40 77.154 -2.823 -1.374 1.00 0.00 C ATOM 595 C LEU A 40 78.377 -3.531 -1.944 1.00 0.00 C ATOM 596 O LEU A 40 79.510 -3.197 -1.601 1.00 0.00 O ATOM 597 CB LEU A 40 77.170 -1.340 -1.776 1.00 0.00 C ATOM 598 CG LEU A 40 76.928 -1.178 -3.291 1.00 0.00 C ATOM 599 CD1 LEU A 40 76.600 0.291 -3.586 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.176 -1.597 -4.103 1.00 0.00 C ATOM 0 H LEU A 40 78.052 -2.625 0.516 1.00 0.00 H new ATOM 0 HA LEU A 40 76.244 -3.276 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.402 -0.800 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.129 -0.896 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 40 76.098 -1.822 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 76.427 0.418 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 40 75.705 0.581 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 40 77.435 0.919 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 40 77.976 -1.472 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.023 -0.973 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.410 -2.642 -3.898 1.00 0.00 H new ATOM 612 N GLY A 41 78.149 -4.524 -2.801 1.00 0.00 N ATOM 613 CA GLY A 41 79.254 -5.281 -3.387 1.00 0.00 C ATOM 614 C GLY A 41 79.618 -6.453 -2.482 1.00 0.00 C ATOM 615 O GLY A 41 80.481 -7.266 -2.816 1.00 0.00 O ATOM 0 H GLY A 41 77.221 -4.821 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.972 -5.647 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.119 -4.632 -3.522 1.00 0.00 H new ATOM 619 N GLY A 42 78.937 -6.537 -1.337 1.00 0.00 N ATOM 620 CA GLY A 42 79.170 -7.618 -0.377 1.00 0.00 C ATOM 621 C GLY A 42 80.095 -7.189 0.761 1.00 0.00 C ATOM 622 O GLY A 42 80.409 -7.991 1.640 1.00 0.00 O ATOM 0 H GLY A 42 78.220 -5.870 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.216 -7.947 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.605 -8.473 -0.894 1.00 0.00 H new ATOM 626 N VAL A 43 80.536 -5.926 0.746 1.00 0.00 N ATOM 627 CA VAL A 43 81.433 -5.415 1.794 1.00 0.00 C ATOM 628 C VAL A 43 80.712 -4.374 2.667 1.00 0.00 C ATOM 629 O VAL A 43 79.843 -3.655 2.176 1.00 0.00 O ATOM 630 CB VAL A 43 82.667 -4.789 1.140 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.422 -5.867 0.360 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.236 -3.677 0.181 1.00 0.00 C ATOM 0 H VAL A 43 80.291 -5.244 0.029 1.00 0.00 H new ATOM 0 HA VAL A 43 81.738 -6.242 2.435 1.00 0.00 H new ATOM 0 HB VAL A 43 83.313 -4.368 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.303 -5.428 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.731 -6.660 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 82.771 -6.283 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.118 -3.234 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.590 -4.093 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.693 -2.910 0.733 1.00 0.00 H new ATOM 642 N PRO A 44 81.045 -4.273 3.940 1.00 0.00 N ATOM 643 CA PRO A 44 80.384 -3.289 4.846 1.00 0.00 C ATOM 644 C PRO A 44 80.369 -1.887 4.229 1.00 0.00 C ATOM 645 O PRO A 44 81.345 -1.459 3.612 1.00 0.00 O ATOM 646 CB PRO A 44 81.221 -3.317 6.152 1.00 0.00 C ATOM 647 CG PRO A 44 82.320 -4.335 5.955 1.00 0.00 C ATOM 648 CD PRO A 44 82.051 -5.084 4.643 1.00 0.00 C ATOM 0 HA PRO A 44 79.340 -3.544 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 44 81.641 -2.333 6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 44 80.596 -3.585 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 44 83.292 -3.843 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 44 82.347 -5.032 6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.961 -5.183 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.683 -6.092 4.833 1.00 0.00 H new ATOM 656 N LEU A 45 79.243 -1.191 4.382 1.00 0.00 N ATOM 657 CA LEU A 45 79.087 0.154 3.821 1.00 0.00 C ATOM 658 C LEU A 45 79.620 1.216 4.790 1.00 0.00 C ATOM 659 O LEU A 45 79.821 0.947 5.974 1.00 0.00 O ATOM 660 CB LEU A 45 77.592 0.398 3.506 1.00 0.00 C ATOM 661 CG LEU A 45 77.413 1.242 2.227 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.778 0.416 0.980 1.00 0.00 C ATOM 663 CD2 LEU A 45 75.945 1.669 2.114 1.00 0.00 C ATOM 0 H LEU A 45 78.426 -1.534 4.888 1.00 0.00 H new ATOM 0 HA LEU A 45 79.668 0.230 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.084 -0.559 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.120 0.906 4.347 1.00 0.00 H new ATOM 0 HG LEU A 45 78.067 2.112 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.646 1.027 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.817 0.094 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.130 -0.458 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.808 2.266 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.311 0.784 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 45 75.670 2.261 2.987 1.00 0.00 H new ATOM 675 N GLN A 46 79.855 2.424 4.267 1.00 0.00 N ATOM 676 CA GLN A 46 80.373 3.528 5.082 1.00 0.00 C ATOM 677 C GLN A 46 79.698 4.844 4.697 1.00 0.00 C ATOM 678 O GLN A 46 79.340 5.054 3.539 1.00 0.00 O ATOM 679 CB GLN A 46 81.883 3.659 4.867 1.00 0.00 C ATOM 680 CG GLN A 46 82.584 2.397 5.374 1.00 0.00 C ATOM 681 CD GLN A 46 84.090 2.523 5.169 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.581 3.597 4.821 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.858 1.483 5.352 1.00 0.00 N ATOM 0 H GLN A 46 79.696 2.662 3.288 1.00 0.00 H new ATOM 0 HA GLN A 46 80.161 3.314 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.099 3.807 3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.261 4.534 5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.363 2.247 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.208 1.523 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 46 84.451 0.593 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.865 1.560 5.207 1.00 0.00 H new ATOM 692 N ALA A 47 79.532 5.730 5.677 1.00 0.00 N ATOM 693 CA ALA A 47 78.900 7.025 5.428 1.00 0.00 C ATOM 694 C ALA A 47 79.839 7.949 4.653 1.00 0.00 C ATOM 695 O ALA A 47 80.235 9.003 5.149 1.00 0.00 O ATOM 696 CB ALA A 47 78.518 7.680 6.760 1.00 0.00 C ATOM 0 H ALA A 47 79.823 5.578 6.643 1.00 0.00 H new ATOM 0 HA ALA A 47 78.004 6.861 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.048 8.645 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.821 7.036 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.414 7.826 7.364 1.00 0.00 H new ATOM 702 N ASN A 48 80.185 7.548 3.432 1.00 0.00 N ATOM 703 CA ASN A 48 81.074 8.348 2.591 1.00 0.00 C ATOM 704 C ASN A 48 80.411 9.660 2.187 1.00 0.00 C ATOM 705 O ASN A 48 79.215 9.709 1.924 1.00 0.00 O ATOM 706 CB ASN A 48 81.446 7.565 1.333 1.00 0.00 C ATOM 707 CG ASN A 48 82.473 8.349 0.525 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.864 9.448 0.918 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.931 7.850 -0.588 1.00 0.00 N ATOM 0 H ASN A 48 79.866 6.679 3.004 1.00 0.00 H new ATOM 0 HA ASN A 48 81.972 8.572 3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.851 6.590 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.556 7.383 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.616 8.370 -1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.605 6.939 -0.911 1.00 0.00 H new ATOM 716 N GLU A 49 81.200 10.725 2.134 1.00 0.00 N ATOM 717 CA GLU A 49 80.680 12.038 1.759 1.00 0.00 C ATOM 718 C GLU A 49 79.669 11.924 0.615 1.00 0.00 C ATOM 719 O GLU A 49 78.628 12.581 0.628 1.00 0.00 O ATOM 720 CB GLU A 49 81.837 12.938 1.329 1.00 0.00 C ATOM 721 CG GLU A 49 82.757 13.206 2.524 1.00 0.00 C ATOM 722 CD GLU A 49 82.030 14.050 3.566 1.00 0.00 C ATOM 723 OE1 GLU A 49 81.428 15.039 3.182 1.00 0.00 O ATOM 724 OE2 GLU A 49 82.090 13.698 4.733 1.00 0.00 O1- ATOM 0 H GLU A 49 82.198 10.709 2.344 1.00 0.00 H new ATOM 0 HA GLU A 49 80.173 12.468 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.399 12.464 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.452 13.879 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.075 12.262 2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.658 13.722 2.191 1.00 0.00 H new ATOM 731 N MET A 50 79.981 11.085 -0.369 1.00 0.00 N ATOM 732 CA MET A 50 79.091 10.891 -1.509 1.00 0.00 C ATOM 733 C MET A 50 77.786 10.233 -1.067 1.00 0.00 C ATOM 734 O MET A 50 76.710 10.565 -1.568 1.00 0.00 O ATOM 735 CB MET A 50 79.769 10.008 -2.565 1.00 0.00 C ATOM 736 CG MET A 50 80.837 10.812 -3.308 1.00 0.00 C ATOM 737 SD MET A 50 81.600 9.774 -4.584 1.00 0.00 S ATOM 738 CE MET A 50 82.573 8.704 -3.492 1.00 0.00 C ATOM 0 H MET A 50 80.838 10.532 -0.400 1.00 0.00 H new ATOM 0 HA MET A 50 78.870 11.869 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.222 9.139 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.027 9.634 -3.270 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.390 11.696 -3.763 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.596 11.162 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 50 83.331 8.181 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 50 83.058 9.310 -2.727 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.916 7.976 -3.016 1.00 0.00 H new ATOM 748 N ASN A 51 77.893 9.276 -0.142 1.00 0.00 N ATOM 749 CA ASN A 51 76.721 8.544 0.353 1.00 0.00 C ATOM 750 C ASN A 51 76.439 8.881 1.815 1.00 0.00 C ATOM 751 O ASN A 51 77.302 8.735 2.677 1.00 0.00 O ATOM 752 CB ASN A 51 76.975 7.040 0.223 1.00 0.00 C ATOM 753 CG ASN A 51 77.628 6.736 -1.122 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.891 7.646 -1.907 1.00 0.00 O ATOM 755 ND2 ASN A 51 77.911 5.503 -1.433 1.00 0.00 N ATOM 0 H ASN A 51 78.776 8.989 0.280 1.00 0.00 H new ATOM 0 HA ASN A 51 75.855 8.836 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.619 6.700 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.035 6.495 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.351 5.291 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.692 4.750 -0.781 1.00 0.00 H new ATOM 762 N ASP A 52 75.212 9.305 2.097 1.00 0.00 N ATOM 763 CA ASP A 52 74.813 9.641 3.461 1.00 0.00 C ATOM 764 C ASP A 52 73.851 8.590 3.967 1.00 0.00 C ATOM 765 O ASP A 52 73.175 7.939 3.181 1.00 0.00 O ATOM 766 CB ASP A 52 74.135 11.011 3.487 1.00 0.00 C ATOM 767 CG ASP A 52 73.944 11.473 4.926 1.00 0.00 C ATOM 768 OD1 ASP A 52 73.423 12.560 5.114 1.00 0.00 O ATOM 769 OD2 ASP A 52 74.327 10.735 5.820 1.00 0.00 O1- ATOM 0 H ASP A 52 74.476 9.424 1.401 1.00 0.00 H new ATOM 0 HA ASP A 52 75.696 9.673 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.740 11.735 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.170 10.958 2.983 1.00 0.00 H new ATOM 774 N ILE A 53 73.792 8.412 5.277 1.00 0.00 N ATOM 775 CA ILE A 53 72.899 7.422 5.860 1.00 0.00 C ATOM 776 C ILE A 53 72.221 8.023 7.081 1.00 0.00 C ATOM 777 O ILE A 53 72.889 8.574 7.957 1.00 0.00 O ATOM 778 CB ILE A 53 73.697 6.175 6.251 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.437 5.634 5.022 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.742 5.097 6.757 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.297 4.434 5.426 1.00 0.00 C ATOM 0 H ILE A 53 74.347 8.936 5.953 1.00 0.00 H new ATOM 0 HA ILE A 53 72.139 7.134 5.134 1.00 0.00 H new ATOM 0 HB ILE A 53 74.411 6.438 7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.721 5.339 4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.064 6.414 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.310 4.209 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.201 5.469 7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.032 4.842 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.822 4.051 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 53 76.023 4.743 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.659 3.652 5.838 1.00 0.00 H new ATOM 793 N THR A 54 70.894 7.922 7.140 1.00 0.00 N ATOM 794 CA THR A 54 70.145 8.470 8.271 1.00 0.00 C ATOM 795 C THR A 54 69.168 7.441 8.820 1.00 0.00 C ATOM 796 O THR A 54 68.651 6.597 8.082 1.00 0.00 O ATOM 797 CB THR A 54 69.379 9.722 7.836 1.00 0.00 C ATOM 798 OG1 THR A 54 68.181 9.337 7.179 1.00 0.00 O ATOM 799 CG2 THR A 54 70.237 10.559 6.884 1.00 0.00 C ATOM 0 H THR A 54 70.320 7.471 6.427 1.00 0.00 H new ATOM 0 HA THR A 54 70.855 8.732 9.055 1.00 0.00 H new ATOM 0 HB THR A 54 69.140 10.318 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 54 67.688 10.137 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.683 11.447 6.581 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.155 10.859 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.485 9.968 6.003 1.00 0.00 H new ATOM 807 N VAL A 55 68.925 7.524 10.130 1.00 0.00 N ATOM 808 CA VAL A 55 68.015 6.608 10.820 1.00 0.00 C ATOM 809 C VAL A 55 66.942 7.393 11.575 1.00 0.00 C ATOM 810 O VAL A 55 67.251 8.297 12.351 1.00 0.00 O ATOM 811 CB VAL A 55 68.814 5.738 11.806 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.691 6.627 12.699 1.00 0.00 C ATOM 813 CG2 VAL A 55 67.854 4.929 12.686 1.00 0.00 C ATOM 0 H VAL A 55 69.350 8.223 10.739 1.00 0.00 H new ATOM 0 HA VAL A 55 67.527 5.970 10.083 1.00 0.00 H new ATOM 0 HB VAL A 55 69.448 5.057 11.238 1.00 0.00 H new ATOM 0 HG11 VAL A 55 70.253 6.003 13.394 1.00 0.00 H new ATOM 0 HG12 VAL A 55 70.385 7.194 12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 55 69.059 7.316 13.260 1.00 0.00 H new ATOM 0 HG21 VAL A 55 68.427 4.316 13.381 1.00 0.00 H new ATOM 0 HG22 VAL A 55 67.213 5.610 13.246 1.00 0.00 H new ATOM 0 HG23 VAL A 55 67.239 4.286 12.057 1.00 0.00 H new ATOM 823 N GLU A 56 65.677 7.034 11.346 1.00 0.00 N ATOM 824 CA GLU A 56 64.548 7.700 12.010 1.00 0.00 C ATOM 825 C GLU A 56 63.644 6.680 12.698 1.00 0.00 C ATOM 826 O GLU A 56 63.977 5.496 12.771 1.00 0.00 O ATOM 827 CB GLU A 56 63.739 8.509 10.993 1.00 0.00 C ATOM 828 CG GLU A 56 64.543 9.738 10.558 1.00 0.00 C ATOM 829 CD GLU A 56 63.764 10.522 9.507 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.673 10.095 9.166 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.268 11.539 9.060 1.00 0.00 O1- ATOM 0 H GLU A 56 65.406 6.287 10.707 1.00 0.00 H new ATOM 0 HA GLU A 56 64.949 8.374 12.767 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.503 7.891 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.790 8.819 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.748 10.373 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.507 9.429 10.153 1.00 0.00 H new ATOM 838 N GLN A 57 62.506 7.166 13.213 1.00 0.00 N ATOM 839 CA GLN A 57 61.530 6.325 13.926 1.00 0.00 C ATOM 840 C GLN A 57 61.556 4.873 13.450 1.00 0.00 C ATOM 841 O GLN A 57 61.885 4.587 12.299 1.00 0.00 O ATOM 842 CB GLN A 57 60.116 6.868 13.710 1.00 0.00 C ATOM 843 CG GLN A 57 60.024 8.305 14.216 1.00 0.00 C ATOM 844 CD GLN A 57 60.247 8.355 15.723 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.648 7.578 16.467 1.00 0.00 O ATOM 846 NE2 GLN A 57 61.071 9.237 16.220 1.00 0.00 N ATOM 0 H GLN A 57 62.236 8.147 13.149 1.00 0.00 H new ATOM 0 HA GLN A 57 61.805 6.352 14.980 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.861 6.830 12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.394 6.242 14.234 1.00 0.00 H new ATOM 0 HG2 GLN A 57 60.767 8.923 13.712 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.046 8.721 13.973 1.00 0.00 H new ATOM 0 HE21 GLN A 57 61.565 9.879 15.600 1.00 0.00 H new ATOM 0 HE22 GLN A 57 61.220 9.284 17.228 1.00 0.00 H new ATOM 855 N GLY A 58 61.186 3.967 14.348 1.00 0.00 N ATOM 856 CA GLY A 58 61.149 2.548 14.022 1.00 0.00 C ATOM 857 C GLY A 58 62.519 2.057 13.579 1.00 0.00 C ATOM 858 O GLY A 58 63.276 1.497 14.371 1.00 0.00 O ATOM 0 H GLY A 58 60.908 4.190 15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.818 1.980 14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 58 60.421 2.372 13.230 1.00 0.00 H new ATOM 862 N THR A 59 62.825 2.275 12.307 1.00 0.00 N ATOM 863 CA THR A 59 64.107 1.860 11.741 1.00 0.00 C ATOM 864 C THR A 59 64.111 2.155 10.234 1.00 0.00 C ATOM 865 O THR A 59 64.418 1.294 9.402 1.00 0.00 O ATOM 866 CB THR A 59 64.372 0.349 12.030 1.00 0.00 C ATOM 867 OG1 THR A 59 63.222 -0.226 12.628 1.00 0.00 O ATOM 868 CG2 THR A 59 65.565 0.179 12.984 1.00 0.00 C ATOM 0 H THR A 59 62.203 2.738 11.644 1.00 0.00 H new ATOM 0 HA THR A 59 64.914 2.423 12.209 1.00 0.00 H new ATOM 0 HB THR A 59 64.597 -0.148 11.087 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.558 -0.424 11.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 65.732 -0.882 13.172 1.00 0.00 H new ATOM 0 HG22 THR A 59 66.457 0.612 12.532 1.00 0.00 H new ATOM 0 HG23 THR A 59 65.353 0.685 13.926 1.00 0.00 H new ATOM 876 N LEU A 60 63.766 3.393 9.895 1.00 0.00 N ATOM 877 CA LEU A 60 63.737 3.816 8.501 1.00 0.00 C ATOM 878 C LEU A 60 65.151 4.146 8.027 1.00 0.00 C ATOM 879 O LEU A 60 65.905 4.824 8.727 1.00 0.00 O ATOM 880 CB LEU A 60 62.852 5.061 8.343 1.00 0.00 C ATOM 881 CG LEU A 60 61.360 4.689 8.444 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.542 5.956 8.710 1.00 0.00 C ATOM 883 CD2 LEU A 60 60.870 4.051 7.130 1.00 0.00 C ATOM 0 H LEU A 60 63.504 4.117 10.564 1.00 0.00 H new ATOM 0 HA LEU A 60 63.329 3.003 7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.102 5.791 9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.049 5.533 7.381 1.00 0.00 H new ATOM 0 HG LEU A 60 61.233 3.974 9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.485 5.698 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.869 6.411 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.688 6.662 7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 60 59.814 3.795 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 60 61.003 4.758 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.446 3.148 6.927 1.00 0.00 H new ATOM 895 N HIS A 61 65.500 3.686 6.827 1.00 0.00 N ATOM 896 CA HIS A 61 66.820 3.959 6.247 1.00 0.00 C ATOM 897 C HIS A 61 66.645 4.845 5.021 1.00 0.00 C ATOM 898 O HIS A 61 65.647 4.730 4.308 1.00 0.00 O ATOM 899 CB HIS A 61 67.513 2.654 5.840 1.00 0.00 C ATOM 900 CG HIS A 61 67.879 1.861 7.068 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.969 1.046 7.722 1.00 0.00 N ATOM 902 CD2 HIS A 61 69.057 1.735 7.762 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.609 0.470 8.756 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.884 0.856 8.826 1.00 0.00 N ATOM 0 H HIS A 61 64.890 3.122 6.235 1.00 0.00 H new ATOM 0 HA HIS A 61 67.439 4.461 6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.854 2.067 5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.408 2.874 5.259 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.979 2.242 7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.147 -0.221 9.445 1.00 0.00 H new ATOM 0 HE2 HIS A 61 69.582 0.568 9.512 1.00 0.00 H new ATOM 912 N LEU A 62 67.600 5.740 4.774 1.00 0.00 N ATOM 913 CA LEU A 62 67.494 6.636 3.620 1.00 0.00 C ATOM 914 C LEU A 62 68.880 7.078 3.152 1.00 0.00 C ATOM 915 O LEU A 62 69.564 7.840 3.842 1.00 0.00 O ATOM 916 CB LEU A 62 66.656 7.864 4.012 1.00 0.00 C ATOM 917 CG LEU A 62 66.050 8.527 2.768 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.167 9.700 3.202 1.00 0.00 C ATOM 919 CD2 LEU A 62 67.170 9.036 1.848 1.00 0.00 C ATOM 0 H LEU A 62 68.438 5.865 5.342 1.00 0.00 H new ATOM 0 HA LEU A 62 67.010 6.106 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.861 7.565 4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.280 8.581 4.545 1.00 0.00 H new ATOM 0 HG LEU A 62 65.450 7.797 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 62 64.734 10.175 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.368 9.335 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.770 10.427 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.732 9.505 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 62 67.778 9.765 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 67.796 8.199 1.540 1.00 0.00 H new ATOM 931 N LEU A 63 69.288 6.602 1.970 1.00 0.00 N ATOM 932 CA LEU A 63 70.587 6.960 1.402 1.00 0.00 C ATOM 933 C LEU A 63 70.445 8.099 0.405 1.00 0.00 C ATOM 934 O LEU A 63 69.628 8.038 -0.515 1.00 0.00 O ATOM 935 CB LEU A 63 71.236 5.735 0.727 1.00 0.00 C ATOM 936 CG LEU A 63 72.056 4.931 1.749 1.00 0.00 C ATOM 937 CD1 LEU A 63 71.214 4.656 3.002 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.485 3.602 1.117 1.00 0.00 C ATOM 0 H LEU A 63 68.736 5.969 1.391 1.00 0.00 H new ATOM 0 HA LEU A 63 71.233 7.294 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.464 5.101 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.880 6.061 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 63 72.937 5.506 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.804 4.086 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.911 5.602 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 63 70.327 4.085 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.067 3.028 1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.601 3.034 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 63 73.093 3.799 0.234 1.00 0.00 H new ATOM 950 N THR A 64 71.263 9.131 0.590 1.00 0.00 N ATOM 951 CA THR A 64 71.251 10.285 -0.302 1.00 0.00 C ATOM 952 C THR A 64 72.513 10.285 -1.151 1.00 0.00 C ATOM 953 O THR A 64 73.593 10.642 -0.682 1.00 0.00 O ATOM 954 CB THR A 64 71.197 11.577 0.513 1.00 0.00 C ATOM 955 OG1 THR A 64 70.037 11.570 1.335 1.00 0.00 O ATOM 956 CG2 THR A 64 71.148 12.775 -0.436 1.00 0.00 C ATOM 0 H THR A 64 71.942 9.191 1.349 1.00 0.00 H new ATOM 0 HA THR A 64 70.372 10.226 -0.944 1.00 0.00 H new ATOM 0 HB THR A 64 72.084 11.650 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 64 70.003 12.397 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.109 13.697 0.144 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.039 12.778 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.261 12.705 -1.065 1.00 0.00 H new ATOM 964 N LEU A 65 72.364 9.883 -2.405 1.00 0.00 N ATOM 965 CA LEU A 65 73.496 9.835 -3.335 1.00 0.00 C ATOM 966 C LEU A 65 73.540 11.111 -4.177 1.00 0.00 C ATOM 967 O LEU A 65 72.551 11.481 -4.814 1.00 0.00 O ATOM 968 CB LEU A 65 73.353 8.613 -4.259 1.00 0.00 C ATOM 969 CG LEU A 65 73.831 7.324 -3.560 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.364 7.282 -3.485 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.249 7.230 -2.143 1.00 0.00 C ATOM 0 H LEU A 65 71.475 9.585 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 65 74.421 9.754 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.311 8.501 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.932 8.772 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 65 73.480 6.476 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 75.679 6.364 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.778 7.310 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.724 8.142 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.598 6.314 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 73.575 8.090 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 72.160 7.219 -2.197 1.00 0.00 H new ATOM 983 N HIS A 66 74.701 11.775 -4.179 1.00 0.00 N ATOM 984 CA HIS A 66 74.880 13.010 -4.946 1.00 0.00 C ATOM 985 C HIS A 66 76.252 13.017 -5.626 1.00 0.00 C ATOM 986 O HIS A 66 77.154 12.278 -5.232 1.00 0.00 O ATOM 987 CB HIS A 66 74.750 14.230 -4.015 1.00 0.00 C ATOM 988 CG HIS A 66 74.285 15.430 -4.800 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.987 15.919 -5.889 1.00 0.00 N ATOM 990 CD2 HIS A 66 73.179 16.235 -4.676 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.303 16.967 -6.376 1.00 0.00 C ATOM 992 NE2 HIS A 66 73.193 17.205 -5.673 1.00 0.00 N ATOM 0 H HIS A 66 75.527 11.478 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 66 74.107 13.062 -5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 66 74.043 14.013 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.710 14.443 -3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 72.415 16.131 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 66 74.613 17.547 -7.233 1.00 0.00 H new ATOM 0 HE2 HIS A 66 72.504 17.940 -5.833 1.00 0.00 H new ATOM 1000 N LYS A 67 76.396 13.852 -6.651 1.00 0.00 N ATOM 1001 CA LYS A 67 77.656 13.940 -7.382 1.00 0.00 C ATOM 1002 C LYS A 67 78.019 12.562 -7.925 1.00 0.00 C ATOM 1003 O LYS A 67 79.175 12.146 -7.872 1.00 0.00 O ATOM 1004 CB LYS A 67 78.781 14.434 -6.455 1.00 0.00 C ATOM 1005 CG LYS A 67 78.339 15.681 -5.667 1.00 0.00 C ATOM 1006 CD LYS A 67 78.282 16.912 -6.580 1.00 0.00 C ATOM 1007 CE LYS A 67 77.823 18.124 -5.765 1.00 0.00 C ATOM 1008 NZ LYS A 67 77.680 19.302 -6.666 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.662 14.473 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 67 77.540 14.647 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 67 79.060 13.641 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 67 79.667 14.668 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.359 15.507 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 67 79.033 15.863 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.263 17.102 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 67 77.595 16.734 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 67 76.873 17.909 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 67 78.544 18.341 -4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 77.368 20.126 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 78.596 19.511 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 76.976 19.093 -7.402 1.00 0.00 H new ATOM 1022 N VAL A 68 77.011 11.854 -8.437 1.00 0.00 N ATOM 1023 CA VAL A 68 77.212 10.510 -8.982 1.00 0.00 C ATOM 1024 C VAL A 68 77.428 10.556 -10.494 1.00 0.00 C ATOM 1025 O VAL A 68 76.715 11.254 -11.215 1.00 0.00 O ATOM 1026 CB VAL A 68 75.997 9.636 -8.651 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.777 10.096 -9.454 1.00 0.00 C ATOM 1028 CG2 VAL A 68 76.315 8.178 -8.988 1.00 0.00 C ATOM 0 H VAL A 68 76.048 12.188 -8.486 1.00 0.00 H new ATOM 0 HA VAL A 68 78.105 10.082 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 68 75.772 9.727 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.922 9.466 -9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.548 11.132 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 68 74.992 10.017 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 68 75.453 7.554 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 68 76.547 8.092 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 68 77.172 7.848 -8.401 1.00 0.00 H new ATOM 1038 N THR A 69 78.427 9.804 -10.961 1.00 0.00 N ATOM 1039 CA THR A 69 78.762 9.747 -12.389 1.00 0.00 C ATOM 1040 C THR A 69 78.683 8.305 -12.890 1.00 0.00 C ATOM 1041 O THR A 69 77.910 7.503 -12.367 1.00 0.00 O ATOM 1042 CB THR A 69 80.172 10.298 -12.609 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.118 9.432 -12.001 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.277 11.691 -11.982 1.00 0.00 C ATOM 0 H THR A 69 79.021 9.223 -10.370 1.00 0.00 H new ATOM 0 HA THR A 69 78.048 10.353 -12.947 1.00 0.00 H new ATOM 0 HB THR A 69 80.375 10.364 -13.678 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.022 9.783 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.281 12.085 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.550 12.356 -12.448 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.075 11.625 -10.913 1.00 0.00 H new ATOM 1052 N LEU A 70 79.478 7.976 -13.905 1.00 0.00 N ATOM 1053 CA LEU A 70 79.468 6.621 -14.452 1.00 0.00 C ATOM 1054 C LEU A 70 79.503 5.595 -13.326 1.00 0.00 C ATOM 1055 O LEU A 70 79.003 4.479 -13.476 1.00 0.00 O ATOM 1056 CB LEU A 70 80.670 6.405 -15.376 1.00 0.00 C ATOM 1057 CG LEU A 70 80.522 7.254 -16.649 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.848 7.242 -17.417 1.00 0.00 C ATOM 1059 CD2 LEU A 70 79.400 6.690 -17.549 1.00 0.00 C ATOM 0 H LEU A 70 80.128 8.617 -14.360 1.00 0.00 H new ATOM 0 HA LEU A 70 78.550 6.494 -15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.590 6.673 -14.856 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.749 5.351 -15.641 1.00 0.00 H new ATOM 0 HG LEU A 70 80.262 8.274 -16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 70 81.750 7.842 -18.321 1.00 0.00 H new ATOM 0 HD12 LEU A 70 82.636 7.658 -16.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 82.102 6.217 -17.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 79.310 7.304 -18.445 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.642 5.666 -17.833 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.456 6.702 -17.004 1.00 0.00 H new ATOM 1071 N GLU A 71 80.081 5.980 -12.192 1.00 0.00 N ATOM 1072 CA GLU A 71 80.155 5.084 -11.043 1.00 0.00 C ATOM 1073 C GLU A 71 78.751 4.761 -10.515 1.00 0.00 C ATOM 1074 O GLU A 71 78.604 4.218 -9.419 1.00 0.00 O ATOM 1075 CB GLU A 71 81.010 5.715 -9.935 1.00 0.00 C ATOM 1076 CG GLU A 71 80.441 7.080 -9.541 1.00 0.00 C ATOM 1077 CD GLU A 71 81.409 7.788 -8.597 1.00 0.00 C ATOM 1078 OE1 GLU A 71 81.074 7.932 -7.431 1.00 0.00 O ATOM 1079 OE2 GLU A 71 82.472 8.172 -9.053 1.00 0.00 O1- ATOM 0 H GLU A 71 80.501 6.898 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 71 80.623 4.152 -11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.034 5.058 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.038 5.827 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.277 7.687 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 71 79.472 6.955 -9.057 1.00 0.00 H new ATOM 1086 N ASP A 72 77.727 5.094 -11.304 1.00 0.00 N ATOM 1087 CA ASP A 72 76.341 4.837 -10.915 1.00 0.00 C ATOM 1088 C ASP A 72 76.098 3.341 -10.703 1.00 0.00 C ATOM 1089 O ASP A 72 75.331 2.953 -9.823 1.00 0.00 O ATOM 1090 CB ASP A 72 75.382 5.374 -12.002 1.00 0.00 C ATOM 1091 CG ASP A 72 75.099 6.861 -11.796 1.00 0.00 C ATOM 1092 OD1 ASP A 72 75.563 7.652 -12.600 1.00 0.00 O ATOM 1093 OD2 ASP A 72 74.409 7.185 -10.842 1.00 0.00 O1- ATOM 0 H ASP A 72 77.832 5.541 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 72 76.150 5.352 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 72 75.819 5.217 -12.988 1.00 0.00 H new ATOM 0 HB3 ASP A 72 74.447 4.815 -11.975 1.00 0.00 H new ATOM 1098 N ALA A 73 76.743 2.503 -11.507 1.00 0.00 N ATOM 1099 CA ALA A 73 76.561 1.060 -11.371 1.00 0.00 C ATOM 1100 C ALA A 73 76.802 0.633 -9.923 1.00 0.00 C ATOM 1101 O ALA A 73 77.728 1.116 -9.273 1.00 0.00 O ATOM 1102 CB ALA A 73 77.534 0.316 -12.292 1.00 0.00 C ATOM 0 H ALA A 73 77.385 2.789 -12.246 1.00 0.00 H new ATOM 0 HA ALA A 73 75.538 0.811 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 73 77.389 -0.759 -12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 73 77.347 0.603 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 73 78.558 0.573 -12.023 1.00 0.00 H new ATOM 1108 N GLY A 74 75.957 -0.267 -9.420 1.00 0.00 N ATOM 1109 CA GLY A 74 76.093 -0.735 -8.043 1.00 0.00 C ATOM 1110 C GLY A 74 75.154 -1.904 -7.758 1.00 0.00 C ATOM 1111 O GLY A 74 74.325 -2.265 -8.593 1.00 0.00 O ATOM 0 H GLY A 74 75.182 -0.681 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.123 -1.041 -7.861 1.00 0.00 H new ATOM 0 HA3 GLY A 74 75.877 0.083 -7.356 1.00 0.00 H new ATOM 1115 N THR A 75 75.291 -2.492 -6.570 1.00 0.00 N ATOM 1116 CA THR A 75 74.451 -3.621 -6.176 1.00 0.00 C ATOM 1117 C THR A 75 74.342 -3.699 -4.662 1.00 0.00 C ATOM 1118 O THR A 75 75.274 -4.139 -3.992 1.00 0.00 O ATOM 1119 CB THR A 75 75.054 -4.930 -6.695 1.00 0.00 C ATOM 1120 OG1 THR A 75 76.443 -4.953 -6.401 1.00 0.00 O ATOM 1121 CG2 THR A 75 74.853 -5.040 -8.206 1.00 0.00 C ATOM 0 H THR A 75 75.973 -2.207 -5.867 1.00 0.00 H new ATOM 0 HA THR A 75 73.460 -3.474 -6.605 1.00 0.00 H new ATOM 0 HB THR A 75 74.557 -5.770 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.583 -4.699 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.286 -5.974 -8.564 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.787 -5.023 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 75.343 -4.201 -8.700 1.00 0.00 H new ATOM 1129 N VAL A 76 73.199 -3.289 -4.117 1.00 0.00 N ATOM 1130 CA VAL A 76 73.002 -3.344 -2.669 1.00 0.00 C ATOM 1131 C VAL A 76 72.291 -4.630 -2.287 1.00 0.00 C ATOM 1132 O VAL A 76 71.296 -5.013 -2.900 1.00 0.00 O ATOM 1133 CB VAL A 76 72.193 -2.145 -2.174 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.195 -2.136 -0.642 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.820 -0.847 -2.699 1.00 0.00 C ATOM 0 H VAL A 76 72.407 -2.921 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 76 73.984 -3.315 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 76 71.168 -2.219 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.620 -1.283 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.747 -3.058 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.220 -2.060 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.241 0.006 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.845 -0.766 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.820 -0.858 -3.789 1.00 0.00 H new ATOM 1145 N SER A 77 72.824 -5.298 -1.271 1.00 0.00 N ATOM 1146 CA SER A 77 72.265 -6.555 -0.795 1.00 0.00 C ATOM 1147 C SER A 77 72.142 -6.539 0.722 1.00 0.00 C ATOM 1148 O SER A 77 72.898 -5.848 1.421 1.00 0.00 O ATOM 1149 CB SER A 77 73.170 -7.711 -1.219 1.00 0.00 C ATOM 1150 OG SER A 77 72.497 -8.942 -0.994 1.00 0.00 O ATOM 0 H SER A 77 73.649 -4.986 -0.758 1.00 0.00 H new ATOM 0 HA SER A 77 71.274 -6.685 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.433 -7.614 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.102 -7.684 -0.654 1.00 0.00 H new ATOM 0 HG SER A 77 71.528 -8.796 -1.027 1.00 0.00 H new ATOM 1156 N PHE A 78 71.178 -7.309 1.223 1.00 0.00 N ATOM 1157 CA PHE A 78 70.933 -7.408 2.659 1.00 0.00 C ATOM 1158 C PHE A 78 70.929 -8.871 3.074 1.00 0.00 C ATOM 1159 O PHE A 78 70.304 -9.709 2.420 1.00 0.00 O ATOM 1160 CB PHE A 78 69.580 -6.780 2.994 1.00 0.00 C ATOM 1161 CG PHE A 78 69.492 -5.423 2.337 1.00 0.00 C ATOM 1162 CD1 PHE A 78 70.369 -4.405 2.726 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.542 -5.183 1.334 1.00 0.00 C ATOM 1164 CE1 PHE A 78 70.296 -3.149 2.115 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.469 -3.926 0.725 1.00 0.00 C ATOM 1166 CZ PHE A 78 69.347 -2.909 1.115 1.00 0.00 C ATOM 0 H PHE A 78 70.551 -7.876 0.652 1.00 0.00 H new ATOM 0 HA PHE A 78 71.720 -6.879 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.771 -7.421 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.467 -6.684 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 78 71.102 -4.589 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 78 67.866 -5.969 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.973 -2.363 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.735 -3.741 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.292 -1.939 0.644 1.00 0.00 H new ATOM 1176 N HIS A 79 71.633 -9.175 4.165 1.00 0.00 N ATOM 1177 CA HIS A 79 71.712 -10.550 4.666 1.00 0.00 C ATOM 1178 C HIS A 79 71.048 -10.658 6.027 1.00 0.00 C ATOM 1179 O HIS A 79 71.561 -10.151 7.026 1.00 0.00 O ATOM 1180 CB HIS A 79 73.173 -10.983 4.780 1.00 0.00 C ATOM 1181 CG HIS A 79 73.242 -12.439 5.154 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.501 -12.856 6.450 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.100 -13.585 4.411 1.00 0.00 C ATOM 1184 CE1 HIS A 79 73.512 -14.202 6.447 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.273 -14.698 5.231 1.00 0.00 N ATOM 0 H HIS A 79 72.154 -8.493 4.717 1.00 0.00 H new ATOM 0 HA HIS A 79 71.193 -11.202 3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.687 -10.816 3.833 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.684 -10.380 5.531 1.00 0.00 H new ATOM 0 HD2 HIS A 79 72.887 -13.618 3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 79 73.692 -14.808 7.323 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.227 -15.680 4.960 1.00 0.00 H new ATOM 1193 N VAL A 80 69.905 -11.333 6.057 1.00 0.00 N ATOM 1194 CA VAL A 80 69.157 -11.531 7.294 1.00 0.00 C ATOM 1195 C VAL A 80 69.135 -13.030 7.595 1.00 0.00 C ATOM 1196 O VAL A 80 68.823 -13.835 6.718 1.00 0.00 O ATOM 1197 CB VAL A 80 67.723 -10.979 7.124 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.165 -10.521 8.480 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.742 -9.796 6.142 1.00 0.00 C ATOM 0 H VAL A 80 69.474 -11.755 5.234 1.00 0.00 H new ATOM 0 HA VAL A 80 69.625 -11.000 8.123 1.00 0.00 H new ATOM 0 HB VAL A 80 67.082 -11.768 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.155 -10.135 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.142 -11.366 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 80 67.802 -9.737 8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.731 -9.407 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.390 -9.010 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.119 -10.131 5.176 1.00 0.00 H new ATOM 1209 N GLY A 81 69.498 -13.403 8.812 1.00 0.00 N ATOM 1210 CA GLY A 81 69.543 -14.814 9.176 1.00 0.00 C ATOM 1211 C GLY A 81 68.195 -15.501 8.964 1.00 0.00 C ATOM 1212 O GLY A 81 68.093 -16.720 9.097 1.00 0.00 O ATOM 0 H GLY A 81 69.763 -12.759 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.305 -15.318 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.839 -14.910 10.221 1.00 0.00 H new ATOM 1216 N THR A 82 67.161 -14.722 8.633 1.00 0.00 N ATOM 1217 CA THR A 82 65.822 -15.286 8.407 1.00 0.00 C ATOM 1218 C THR A 82 65.451 -15.235 6.923 1.00 0.00 C ATOM 1219 O THR A 82 64.911 -16.198 6.381 1.00 0.00 O ATOM 1220 CB THR A 82 64.776 -14.515 9.226 1.00 0.00 C ATOM 1221 OG1 THR A 82 63.512 -14.613 8.588 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.180 -13.048 9.323 1.00 0.00 C ATOM 0 H THR A 82 67.221 -13.710 8.516 1.00 0.00 H new ATOM 0 HA THR A 82 65.836 -16.328 8.728 1.00 0.00 H new ATOM 0 HB THR A 82 64.716 -14.941 10.227 1.00 0.00 H new ATOM 0 HG1 THR A 82 62.843 -14.123 9.110 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.436 -12.503 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 66.151 -12.970 9.812 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.242 -12.621 8.322 1.00 0.00 H new ATOM 1230 N CYS A 83 65.733 -14.105 6.267 1.00 0.00 N ATOM 1231 CA CYS A 83 65.410 -13.944 4.839 1.00 0.00 C ATOM 1232 C CYS A 83 66.554 -13.267 4.081 1.00 0.00 C ATOM 1233 O CYS A 83 67.528 -12.812 4.681 1.00 0.00 O ATOM 1234 CB CYS A 83 64.135 -13.111 4.694 1.00 0.00 C ATOM 1235 SG CYS A 83 62.799 -13.880 5.644 1.00 0.00 S ATOM 0 H CYS A 83 66.180 -13.293 6.694 1.00 0.00 H new ATOM 0 HA CYS A 83 65.259 -14.935 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.309 -12.095 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.853 -13.038 3.644 1.00 0.00 H new ATOM 0 HG CYS A 83 63.181 -14.043 6.876 1.00 0.00 H new ATOM 1241 N SER A 84 66.426 -13.210 2.750 1.00 0.00 N ATOM 1242 CA SER A 84 67.450 -12.591 1.896 1.00 0.00 C ATOM 1243 C SER A 84 66.799 -11.669 0.868 1.00 0.00 C ATOM 1244 O SER A 84 65.628 -11.832 0.529 1.00 0.00 O ATOM 1245 CB SER A 84 68.246 -13.671 1.165 1.00 0.00 C ATOM 1246 OG SER A 84 67.398 -14.325 0.229 1.00 0.00 O ATOM 0 H SER A 84 65.625 -13.584 2.241 1.00 0.00 H new ATOM 0 HA SER A 84 68.119 -12.009 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.099 -13.226 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.644 -14.392 1.879 1.00 0.00 H new ATOM 0 HG SER A 84 67.905 -15.018 -0.244 1.00 0.00 H new ATOM 1252 N SER A 85 67.569 -10.701 0.372 1.00 0.00 N ATOM 1253 CA SER A 85 67.053 -9.761 -0.622 1.00 0.00 C ATOM 1254 C SER A 85 68.189 -9.149 -1.441 1.00 0.00 C ATOM 1255 O SER A 85 69.348 -9.162 -1.026 1.00 0.00 O ATOM 1256 CB SER A 85 66.258 -8.657 0.076 1.00 0.00 C ATOM 1257 OG SER A 85 67.026 -8.132 1.148 1.00 0.00 O ATOM 0 H SER A 85 68.542 -10.548 0.638 1.00 0.00 H new ATOM 0 HA SER A 85 66.399 -10.305 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 85 66.013 -7.866 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.314 -9.054 0.450 1.00 0.00 H new ATOM 0 HG SER A 85 66.479 -7.505 1.666 1.00 0.00 H new ATOM 1263 N GLU A 86 67.840 -8.617 -2.614 1.00 0.00 N ATOM 1264 CA GLU A 86 68.823 -7.999 -3.508 1.00 0.00 C ATOM 1265 C GLU A 86 68.221 -6.790 -4.221 1.00 0.00 C ATOM 1266 O GLU A 86 67.002 -6.681 -4.363 1.00 0.00 O ATOM 1267 CB GLU A 86 69.282 -9.012 -4.562 1.00 0.00 C ATOM 1268 CG GLU A 86 70.131 -10.108 -3.911 1.00 0.00 C ATOM 1269 CD GLU A 86 70.523 -11.142 -4.961 1.00 0.00 C ATOM 1270 OE1 GLU A 86 71.219 -12.079 -4.613 1.00 0.00 O ATOM 1271 OE2 GLU A 86 70.118 -10.980 -6.101 1.00 0.00 O1- ATOM 0 H GLU A 86 66.883 -8.601 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 86 69.671 -7.676 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 86 68.415 -9.456 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.860 -8.506 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 86 71.024 -9.673 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 86 69.572 -10.586 -3.106 1.00 0.00 H new ATOM 1278 N ALA A 87 69.089 -5.889 -4.683 1.00 0.00 N ATOM 1279 CA ALA A 87 68.652 -4.689 -5.398 1.00 0.00 C ATOM 1280 C ALA A 87 69.634 -4.369 -6.520 1.00 0.00 C ATOM 1281 O ALA A 87 70.832 -4.629 -6.396 1.00 0.00 O ATOM 1282 CB ALA A 87 68.564 -3.504 -4.438 1.00 0.00 C ATOM 0 H ALA A 87 70.100 -5.968 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 87 67.665 -4.874 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 87 68.238 -2.618 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.848 -3.728 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.544 -3.319 -3.998 1.00 0.00 H new ATOM 1288 N GLN A 88 69.117 -3.819 -7.623 1.00 0.00 N ATOM 1289 CA GLN A 88 69.956 -3.488 -8.778 1.00 0.00 C ATOM 1290 C GLN A 88 69.905 -2.000 -9.123 1.00 0.00 C ATOM 1291 O GLN A 88 68.828 -1.410 -9.273 1.00 0.00 O ATOM 1292 CB GLN A 88 69.496 -4.299 -9.990 1.00 0.00 C ATOM 1293 CG GLN A 88 69.767 -5.783 -9.738 1.00 0.00 C ATOM 1294 CD GLN A 88 69.304 -6.616 -10.929 1.00 0.00 C ATOM 1295 OE1 GLN A 88 68.291 -6.302 -11.556 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.989 -7.674 -11.274 1.00 0.00 N ATOM 0 H GLN A 88 68.129 -3.595 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 88 70.985 -3.735 -8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.433 -4.137 -10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.023 -3.968 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 88 70.832 -5.941 -9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.248 -6.106 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 88 70.827 -7.931 -10.753 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.685 -8.243 -12.065 1.00 0.00 H new ATOM 1305 N LEU A 89 71.095 -1.416 -9.278 1.00 0.00 N ATOM 1306 CA LEU A 89 71.239 -0.007 -9.648 1.00 0.00 C ATOM 1307 C LEU A 89 71.889 0.076 -11.022 1.00 0.00 C ATOM 1308 O LEU A 89 73.009 -0.395 -11.218 1.00 0.00 O ATOM 1309 CB LEU A 89 72.106 0.726 -8.609 1.00 0.00 C ATOM 1310 CG LEU A 89 72.425 2.160 -9.071 1.00 0.00 C ATOM 1311 CD1 LEU A 89 71.127 2.951 -9.280 1.00 0.00 C ATOM 1312 CD2 LEU A 89 73.273 2.847 -7.996 1.00 0.00 C ATOM 0 H LEU A 89 71.982 -1.904 -9.151 1.00 0.00 H new ATOM 0 HA LEU A 89 70.258 0.468 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.586 0.756 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.034 0.176 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 89 72.970 2.124 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 89 71.366 3.963 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.519 2.459 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.572 2.994 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 89 73.506 3.864 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.718 2.876 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 89 74.199 2.291 -7.853 1.00 0.00 H new ATOM 1324 N LYS A 90 71.172 0.668 -11.970 1.00 0.00 N ATOM 1325 CA LYS A 90 71.672 0.807 -13.336 1.00 0.00 C ATOM 1326 C LYS A 90 71.451 2.228 -13.835 1.00 0.00 C ATOM 1327 O LYS A 90 70.571 2.940 -13.346 1.00 0.00 O ATOM 1328 CB LYS A 90 70.939 -0.173 -14.252 1.00 0.00 C ATOM 1329 CG LYS A 90 71.252 -1.608 -13.827 1.00 0.00 C ATOM 1330 CD LYS A 90 70.519 -2.583 -14.751 1.00 0.00 C ATOM 1331 CE LYS A 90 70.812 -4.018 -14.314 1.00 0.00 C ATOM 1332 NZ LYS A 90 70.085 -4.968 -15.204 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.242 1.060 -11.820 1.00 0.00 H new ATOM 0 HA LYS A 90 72.740 0.589 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.865 0.004 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.243 -0.015 -15.287 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.326 -1.786 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.945 -1.768 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.446 -2.394 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.839 -2.433 -15.782 1.00 0.00 H new ATOM 0 HE2 LYS A 90 71.884 -4.211 -14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.503 -4.164 -13.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 70.285 -5.944 -14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.062 -4.789 -15.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 70.400 -4.834 -16.186 1.00 0.00 H new ATOM 1346 N VAL A 91 72.250 2.635 -14.820 1.00 0.00 N ATOM 1347 CA VAL A 91 72.142 3.974 -15.399 1.00 0.00 C ATOM 1348 C VAL A 91 71.761 3.866 -16.871 1.00 0.00 C ATOM 1349 O VAL A 91 72.332 3.064 -17.610 1.00 0.00 O ATOM 1350 CB VAL A 91 73.478 4.719 -15.255 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.537 4.067 -16.155 1.00 0.00 C ATOM 1352 CG2 VAL A 91 73.300 6.198 -15.645 1.00 0.00 C ATOM 0 H VAL A 91 72.980 2.056 -15.235 1.00 0.00 H new ATOM 0 HA VAL A 91 71.370 4.532 -14.869 1.00 0.00 H new ATOM 0 HB VAL A 91 73.806 4.662 -14.217 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.482 4.599 -16.049 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.672 3.026 -15.862 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.210 4.112 -17.194 1.00 0.00 H new ATOM 0 HG21 VAL A 91 74.252 6.719 -15.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 72.963 6.263 -16.679 1.00 0.00 H new ATOM 0 HG23 VAL A 91 72.560 6.660 -14.992 1.00 0.00 H new ATOM 1362 N THR A 92 70.782 4.668 -17.287 1.00 0.00 N ATOM 1363 CA THR A 92 70.321 4.644 -18.674 1.00 0.00 C ATOM 1364 C THR A 92 71.176 5.553 -19.552 1.00 0.00 C ATOM 1365 O THR A 92 71.937 6.379 -19.050 1.00 0.00 O ATOM 1366 CB THR A 92 68.857 5.091 -18.756 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.486 5.230 -20.120 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.682 6.432 -18.042 1.00 0.00 C ATOM 0 H THR A 92 70.296 5.337 -16.689 1.00 0.00 H new ATOM 0 HA THR A 92 70.411 3.620 -19.036 1.00 0.00 H new ATOM 0 HB THR A 92 68.224 4.345 -18.275 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.550 5.514 -20.177 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.639 6.744 -18.104 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.968 6.327 -16.995 1.00 0.00 H new ATOM 0 HG23 THR A 92 69.314 7.182 -18.517 1.00 0.00 H new