USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 16 HIS : no HE2:sc= -1.49 X(o=-2.9,f=-3.3) USER MOD Set 1.2: A 27 TYR OH : rot 155:sc= -1.41! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.64 F(o=-3.4!,f=-1.6) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= -0.24 (180deg=-0.338) USER MOD Single : A 12 CYS SG : rot -100:sc= -0.092 USER MOD Single : A 13 MET CE :methyl 174:sc= 0 (180deg=-0.02) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.141 USER MOD Single : A 20 THR OG1 : rot 141:sc= -5.56! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 158:sc= -3.14! (180deg=-3.98!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 130:sc= -0.0885 USER MOD Single : A 53 GLN : amide:sc= -2.8! C(o=-2.8!,f=-5.2!) USER MOD Single : A 61 MET CE :methyl 159:sc= -1.78 (180deg=-4.21!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.3 F(o=-2.8!,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 72 GLN : amide:sc= -0.697 K(o=-0.7,f=-4.9!) USER MOD Single : A 73 THR OG1 : rot 102:sc= 0.942 USER MOD Single : A 76 LYS NZ :NH3+ 162:sc=-0.00245 (180deg=-0.215) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.776 12.654 2.446 1.00 0.00 N ATOM 31 CA PRO A 3 66.851 11.281 1.896 1.00 0.00 C ATOM 32 C PRO A 3 65.674 11.022 0.957 1.00 0.00 C ATOM 33 O PRO A 3 65.764 10.234 0.039 1.00 0.00 O ATOM 34 CB PRO A 3 66.771 10.408 3.151 1.00 0.00 C ATOM 35 CG PRO A 3 66.655 11.325 4.384 1.00 0.00 C ATOM 36 CD PRO A 3 66.651 12.787 3.916 1.00 0.00 C ATOM 0 HA PRO A 3 67.746 11.089 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.910 9.742 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.657 9.778 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.741 11.103 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 3 67.488 11.149 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.733 13.301 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.479 13.352 4.344 1.00 0.00 H new ATOM 44 N GLU A 4 64.576 11.692 1.167 1.00 0.00 N ATOM 45 CA GLU A 4 63.412 11.492 0.261 1.00 0.00 C ATOM 46 C GLU A 4 63.753 12.079 -1.109 1.00 0.00 C ATOM 47 O GLU A 4 63.350 11.573 -2.139 1.00 0.00 O ATOM 48 CB GLU A 4 62.259 12.258 0.910 1.00 0.00 C ATOM 49 CG GLU A 4 60.996 12.095 0.062 1.00 0.00 C ATOM 50 CD GLU A 4 60.316 13.454 -0.108 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.817 13.974 0.878 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.305 13.954 -1.221 1.00 0.00 O ATOM 0 H GLU A 4 64.435 12.364 1.921 1.00 0.00 H new ATOM 0 HA GLU A 4 63.154 10.442 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.083 11.885 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.515 13.314 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.251 11.680 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.313 11.392 0.539 1.00 0.00 H new ATOM 59 N VAL A 5 64.512 13.141 -1.119 1.00 0.00 N ATOM 60 CA VAL A 5 64.908 13.770 -2.408 1.00 0.00 C ATOM 61 C VAL A 5 65.779 12.802 -3.208 1.00 0.00 C ATOM 62 O VAL A 5 65.457 12.430 -4.321 1.00 0.00 O ATOM 63 CB VAL A 5 65.707 15.013 -2.013 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.248 15.695 -3.269 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.799 15.985 -1.255 1.00 0.00 C ATOM 0 H VAL A 5 64.876 13.601 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 5 64.051 14.023 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 5 66.539 14.719 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.817 16.580 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.896 15.004 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.417 15.988 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.369 16.871 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.965 16.277 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.416 15.500 -0.357 1.00 0.00 H new ATOM 75 N LEU A 6 66.876 12.379 -2.642 1.00 0.00 N ATOM 76 CA LEU A 6 67.763 11.424 -3.364 1.00 0.00 C ATOM 77 C LEU A 6 67.018 10.106 -3.581 1.00 0.00 C ATOM 78 O LEU A 6 67.304 9.355 -4.492 1.00 0.00 O ATOM 79 CB LEU A 6 68.972 11.228 -2.444 1.00 0.00 C ATOM 80 CG LEU A 6 68.566 10.405 -1.222 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.585 8.916 -1.576 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.554 10.667 -0.081 1.00 0.00 C ATOM 0 H LEU A 6 67.196 12.653 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 6 68.068 11.787 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.773 10.723 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.361 12.196 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 6 67.561 10.691 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.295 8.331 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.884 8.726 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.589 8.629 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 6 69.266 10.081 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.557 10.380 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.543 11.727 0.174 1.00 0.00 H new ATOM 94 N ALA A 7 66.047 9.832 -2.753 1.00 0.00 N ATOM 95 CA ALA A 7 65.264 8.576 -2.906 1.00 0.00 C ATOM 96 C ALA A 7 64.438 8.640 -4.190 1.00 0.00 C ATOM 97 O ALA A 7 64.152 7.633 -4.807 1.00 0.00 O ATOM 98 CB ALA A 7 64.350 8.525 -1.681 1.00 0.00 C ATOM 0 H ALA A 7 65.762 10.427 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 7 65.898 7.692 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.738 7.624 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.956 8.512 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.703 9.402 -1.673 1.00 0.00 H new ATOM 104 N LYS A 8 64.051 9.818 -4.596 1.00 0.00 N ATOM 105 CA LYS A 8 63.244 9.946 -5.843 1.00 0.00 C ATOM 106 C LYS A 8 64.154 9.882 -7.075 1.00 0.00 C ATOM 107 O LYS A 8 63.926 9.109 -7.984 1.00 0.00 O ATOM 108 CB LYS A 8 62.572 11.315 -5.745 1.00 0.00 C ATOM 109 CG LYS A 8 61.063 11.154 -5.923 1.00 0.00 C ATOM 110 CD LYS A 8 60.350 11.573 -4.636 1.00 0.00 C ATOM 111 CE LYS A 8 60.042 13.071 -4.689 1.00 0.00 C ATOM 112 NZ LYS A 8 58.760 13.225 -3.948 1.00 0.00 N ATOM 0 H LYS A 8 64.258 10.696 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 8 62.516 9.141 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.789 11.770 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 8 62.970 11.983 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.717 11.764 -6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.823 10.118 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 8 59.427 11.005 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.975 11.350 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.838 13.655 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.948 13.419 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.482 14.227 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 58.020 12.664 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.882 12.892 -2.970 1.00 0.00 H new ATOM 126 N ASN A 9 65.183 10.688 -7.116 1.00 0.00 N ATOM 127 CA ASN A 9 66.097 10.662 -8.297 1.00 0.00 C ATOM 128 C ASN A 9 66.785 9.296 -8.410 1.00 0.00 C ATOM 129 O ASN A 9 67.329 8.951 -9.440 1.00 0.00 O ATOM 130 CB ASN A 9 67.130 11.758 -8.035 1.00 0.00 C ATOM 131 CG ASN A 9 66.420 13.020 -7.547 1.00 0.00 C ATOM 132 OD1 ASN A 9 66.509 13.357 -6.291 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 65.779 13.708 -8.317 1.00 0.00 N flip ATOM 0 H ASN A 9 65.429 11.359 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 9 65.559 10.826 -9.230 1.00 0.00 H new ATOM 0 HB2 ASN A 9 67.851 11.422 -7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 9 67.689 11.971 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.709 13.444 -9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.311 14.549 -7.980 1.00 0.00 H new ATOM 140 N LYS A 10 66.765 8.516 -7.362 1.00 0.00 N ATOM 141 CA LYS A 10 67.418 7.179 -7.418 1.00 0.00 C ATOM 142 C LYS A 10 66.427 6.139 -7.943 1.00 0.00 C ATOM 143 O LYS A 10 66.805 5.075 -8.394 1.00 0.00 O ATOM 144 CB LYS A 10 67.811 6.873 -5.971 1.00 0.00 C ATOM 145 CG LYS A 10 69.107 7.609 -5.627 1.00 0.00 C ATOM 146 CD LYS A 10 70.171 7.275 -6.673 1.00 0.00 C ATOM 147 CE LYS A 10 71.565 7.486 -6.078 1.00 0.00 C ATOM 148 NZ LYS A 10 72.487 6.767 -7.000 1.00 0.00 N ATOM 0 H LYS A 10 66.325 8.748 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 10 68.281 7.160 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.015 7.181 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.944 5.799 -5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.932 8.685 -5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.452 7.318 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.059 6.242 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.041 7.906 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.813 8.546 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.627 7.086 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.446 6.763 -6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.160 5.788 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.500 7.247 -7.922 1.00 0.00 H new ATOM 162 N GLY A 11 65.159 6.441 -7.891 1.00 0.00 N ATOM 163 CA GLY A 11 64.140 5.477 -8.391 1.00 0.00 C ATOM 164 C GLY A 11 63.617 4.632 -7.231 1.00 0.00 C ATOM 165 O GLY A 11 62.970 3.624 -7.432 1.00 0.00 O ATOM 0 H GLY A 11 64.784 7.315 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.317 6.015 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.578 4.833 -9.154 1.00 0.00 H new ATOM 169 N CYS A 12 63.892 5.026 -6.017 1.00 0.00 N ATOM 170 CA CYS A 12 63.403 4.227 -4.857 1.00 0.00 C ATOM 171 C CYS A 12 61.880 4.341 -4.730 1.00 0.00 C ATOM 172 O CYS A 12 61.202 3.386 -4.407 1.00 0.00 O ATOM 173 CB CYS A 12 64.079 4.834 -3.626 1.00 0.00 C ATOM 174 SG CYS A 12 65.878 4.876 -3.846 1.00 0.00 S ATOM 0 H CYS A 12 64.430 5.860 -5.779 1.00 0.00 H new ATOM 0 HA CYS A 12 63.638 3.169 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.704 5.843 -3.458 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.828 4.249 -2.741 1.00 0.00 H new ATOM 0 HG CYS A 12 66.416 3.878 -3.210 1.00 0.00 H new ATOM 179 N MET A 13 61.338 5.503 -4.972 1.00 0.00 N ATOM 180 CA MET A 13 59.861 5.680 -4.854 1.00 0.00 C ATOM 181 C MET A 13 59.153 5.206 -6.128 1.00 0.00 C ATOM 182 O MET A 13 57.958 5.367 -6.277 1.00 0.00 O ATOM 183 CB MET A 13 59.660 7.184 -4.661 1.00 0.00 C ATOM 184 CG MET A 13 59.760 7.525 -3.174 1.00 0.00 C ATOM 185 SD MET A 13 58.484 8.735 -2.745 1.00 0.00 S ATOM 186 CE MET A 13 57.104 7.572 -2.620 1.00 0.00 C ATOM 0 H MET A 13 61.854 6.339 -5.247 1.00 0.00 H new ATOM 0 HA MET A 13 59.445 5.098 -4.032 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.412 7.737 -5.223 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.687 7.484 -5.049 1.00 0.00 H new ATOM 0 HG2 MET A 13 59.637 6.623 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.748 7.927 -2.948 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.220 8.095 -2.255 1.00 0.00 H new ATOM 0 HE2 MET A 13 56.896 7.148 -3.602 1.00 0.00 H new ATOM 0 HE3 MET A 13 57.364 6.772 -1.927 1.00 0.00 H new ATOM 196 N ALA A 14 59.875 4.626 -7.048 1.00 0.00 N ATOM 197 CA ALA A 14 59.231 4.151 -8.307 1.00 0.00 C ATOM 198 C ALA A 14 58.675 2.736 -8.120 1.00 0.00 C ATOM 199 O ALA A 14 57.642 2.388 -8.658 1.00 0.00 O ATOM 200 CB ALA A 14 60.348 4.155 -9.350 1.00 0.00 C ATOM 0 H ALA A 14 60.879 4.461 -6.983 1.00 0.00 H new ATOM 0 HA ALA A 14 58.394 4.782 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.953 3.816 -10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.742 5.166 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.147 3.486 -9.030 1.00 0.00 H new ATOM 206 N CYS A 15 59.353 1.922 -7.363 1.00 0.00 N ATOM 207 CA CYS A 15 58.870 0.530 -7.138 1.00 0.00 C ATOM 208 C CYS A 15 58.295 0.387 -5.729 1.00 0.00 C ATOM 209 O CYS A 15 57.516 -0.504 -5.453 1.00 0.00 O ATOM 210 CB CYS A 15 60.115 -0.344 -7.265 1.00 0.00 C ATOM 211 SG CYS A 15 60.553 -0.574 -9.009 1.00 0.00 S ATOM 0 H CYS A 15 60.224 2.160 -6.888 1.00 0.00 H new ATOM 0 HA CYS A 15 58.086 0.255 -7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.947 0.118 -6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.936 -1.312 -6.798 1.00 0.00 H new ATOM 0 HG CYS A 15 61.616 -1.318 -9.095 1.00 0.00 H new ATOM 216 N HIS A 16 58.696 1.239 -4.827 1.00 0.00 N ATOM 217 CA HIS A 16 58.195 1.130 -3.429 1.00 0.00 C ATOM 218 C HIS A 16 57.126 2.184 -3.135 1.00 0.00 C ATOM 219 O HIS A 16 57.097 3.243 -3.729 1.00 0.00 O ATOM 220 CB HIS A 16 59.424 1.374 -2.557 1.00 0.00 C ATOM 221 CG HIS A 16 60.159 0.080 -2.347 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.582 -0.997 -1.692 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.424 -0.324 -2.692 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.491 -1.987 -1.663 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.631 -1.631 -2.258 1.00 0.00 N ATOM 0 H HIS A 16 59.348 2.005 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 16 57.730 0.162 -3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.080 2.103 -3.032 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.123 1.793 -1.597 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.640 -1.032 -1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.148 0.279 -3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.319 -2.953 -1.213 1.00 0.00 H new ATOM 233 N ALA A 17 56.259 1.899 -2.203 1.00 0.00 N ATOM 234 CA ALA A 17 55.195 2.873 -1.834 1.00 0.00 C ATOM 235 C ALA A 17 55.188 3.050 -0.314 1.00 0.00 C ATOM 236 O ALA A 17 55.068 2.095 0.423 1.00 0.00 O ATOM 237 CB ALA A 17 53.889 2.240 -2.315 1.00 0.00 C ATOM 0 H ALA A 17 56.243 1.025 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 17 55.344 3.857 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.055 2.901 -2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.935 2.086 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.744 1.281 -1.817 1.00 0.00 H new ATOM 243 N ILE A 18 55.329 4.262 0.154 1.00 0.00 N ATOM 244 CA ILE A 18 55.351 4.514 1.629 1.00 0.00 C ATOM 245 C ILE A 18 54.377 3.588 2.358 1.00 0.00 C ATOM 246 O ILE A 18 54.579 3.237 3.503 1.00 0.00 O ATOM 247 CB ILE A 18 54.920 5.973 1.786 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.983 6.889 1.171 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.765 6.305 3.271 1.00 0.00 C ATOM 250 CD1 ILE A 18 57.298 6.730 1.935 1.00 0.00 C ATOM 0 H ILE A 18 55.431 5.096 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 18 56.335 4.324 2.057 1.00 0.00 H new ATOM 0 HB ILE A 18 53.968 6.124 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.129 6.640 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 18 55.651 7.926 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.458 7.345 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.010 5.655 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.717 6.152 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 18 58.054 7.382 1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 18 57.147 7.000 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.632 5.694 1.873 1.00 0.00 H new ATOM 262 N ASP A 19 53.324 3.187 1.706 1.00 0.00 N ATOM 263 CA ASP A 19 52.345 2.278 2.375 1.00 0.00 C ATOM 264 C ASP A 19 51.595 1.424 1.348 1.00 0.00 C ATOM 265 O ASP A 19 51.224 0.299 1.619 1.00 0.00 O ATOM 266 CB ASP A 19 51.374 3.209 3.102 1.00 0.00 C ATOM 267 CG ASP A 19 51.140 2.694 4.524 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.825 1.764 4.918 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.278 3.237 5.196 1.00 0.00 O ATOM 0 H ASP A 19 53.096 3.445 0.746 1.00 0.00 H new ATOM 0 HA ASP A 19 52.840 1.582 3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.778 4.221 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.429 3.259 2.562 1.00 0.00 H new ATOM 274 N THR A 20 51.362 1.944 0.176 1.00 0.00 N ATOM 275 CA THR A 20 50.629 1.151 -0.854 1.00 0.00 C ATOM 276 C THR A 20 51.500 -0.008 -1.345 1.00 0.00 C ATOM 277 O THR A 20 52.618 -0.184 -0.905 1.00 0.00 O ATOM 278 CB THR A 20 50.338 2.132 -1.993 1.00 0.00 C ATOM 279 OG1 THR A 20 51.386 3.087 -2.080 1.00 0.00 O ATOM 280 CG2 THR A 20 49.013 2.846 -1.722 1.00 0.00 C ATOM 0 H THR A 20 51.645 2.880 -0.114 1.00 0.00 H new ATOM 0 HA THR A 20 49.712 0.714 -0.459 1.00 0.00 H new ATOM 0 HB THR A 20 50.271 1.586 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.579 3.276 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.804 3.545 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.210 2.112 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.079 3.391 -0.780 1.00 0.00 H new ATOM 288 N LYS A 21 50.991 -0.807 -2.244 1.00 0.00 N ATOM 289 CA LYS A 21 51.784 -1.960 -2.750 1.00 0.00 C ATOM 290 C LYS A 21 52.045 -1.821 -4.253 1.00 0.00 C ATOM 291 O LYS A 21 51.130 -1.765 -5.051 1.00 0.00 O ATOM 292 CB LYS A 21 50.916 -3.187 -2.468 1.00 0.00 C ATOM 293 CG LYS A 21 51.811 -4.401 -2.204 1.00 0.00 C ATOM 294 CD LYS A 21 50.981 -5.518 -1.569 1.00 0.00 C ATOM 295 CE LYS A 21 50.701 -6.605 -2.610 1.00 0.00 C ATOM 296 NZ LYS A 21 50.400 -7.831 -1.818 1.00 0.00 N ATOM 0 H LYS A 21 50.060 -0.710 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 21 52.761 -2.026 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.275 -3.001 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.260 -3.384 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.255 -4.749 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.633 -4.124 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.515 -5.943 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 21 50.043 -5.116 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 21 49.861 -6.332 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 21 51.561 -6.758 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.197 -8.621 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 51.220 -8.071 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 49.573 -7.658 -1.212 1.00 0.00 H new ATOM 310 N MET A 22 53.289 -1.776 -4.645 1.00 0.00 N ATOM 311 CA MET A 22 53.614 -1.654 -6.095 1.00 0.00 C ATOM 312 C MET A 22 54.552 -2.796 -6.508 1.00 0.00 C ATOM 313 O MET A 22 54.148 -3.939 -6.583 1.00 0.00 O ATOM 314 CB MET A 22 54.302 -0.295 -6.238 1.00 0.00 C ATOM 315 CG MET A 22 53.248 0.813 -6.272 1.00 0.00 C ATOM 316 SD MET A 22 53.989 2.366 -5.710 1.00 0.00 S ATOM 317 CE MET A 22 55.569 2.189 -6.575 1.00 0.00 C ATOM 0 H MET A 22 54.096 -1.819 -4.023 1.00 0.00 H new ATOM 0 HA MET A 22 52.732 -1.719 -6.733 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.987 -0.134 -5.406 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.898 -0.272 -7.150 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.858 0.928 -7.283 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.405 0.548 -5.634 1.00 0.00 H new ATOM 0 HE1 MET A 22 56.028 3.170 -6.699 1.00 0.00 H new ATOM 0 HE2 MET A 22 56.233 1.549 -5.993 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.400 1.741 -7.554 1.00 0.00 H new ATOM 327 N VAL A 23 55.803 -2.509 -6.763 1.00 0.00 N ATOM 328 CA VAL A 23 56.746 -3.594 -7.152 1.00 0.00 C ATOM 329 C VAL A 23 57.331 -4.237 -5.894 1.00 0.00 C ATOM 330 O VAL A 23 57.630 -5.414 -5.863 1.00 0.00 O ATOM 331 CB VAL A 23 57.838 -2.902 -7.963 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.776 -3.954 -8.557 1.00 0.00 C ATOM 333 CG2 VAL A 23 57.198 -2.094 -9.093 1.00 0.00 C ATOM 0 H VAL A 23 56.208 -1.574 -6.718 1.00 0.00 H new ATOM 0 HA VAL A 23 56.263 -4.385 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 23 58.405 -2.234 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.556 -3.460 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.232 -4.531 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.209 -4.622 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.977 -1.599 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.631 -2.762 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.529 -1.344 -8.671 1.00 0.00 H new ATOM 343 N GLY A 24 57.488 -3.466 -4.854 1.00 0.00 N ATOM 344 CA GLY A 24 58.042 -4.018 -3.586 1.00 0.00 C ATOM 345 C GLY A 24 57.068 -3.714 -2.443 1.00 0.00 C ATOM 346 O GLY A 24 56.112 -2.986 -2.629 1.00 0.00 O ATOM 0 H GLY A 24 57.255 -2.473 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.192 -5.094 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.017 -3.577 -3.377 1.00 0.00 H new ATOM 350 N PRO A 25 57.335 -4.282 -1.295 1.00 0.00 N ATOM 351 CA PRO A 25 56.461 -4.067 -0.118 1.00 0.00 C ATOM 352 C PRO A 25 56.523 -2.606 0.332 1.00 0.00 C ATOM 353 O PRO A 25 57.569 -1.990 0.326 1.00 0.00 O ATOM 354 CB PRO A 25 57.080 -4.993 0.934 1.00 0.00 C ATOM 355 CG PRO A 25 58.297 -5.704 0.311 1.00 0.00 C ATOM 356 CD PRO A 25 58.510 -5.161 -1.109 1.00 0.00 C ATOM 0 HA PRO A 25 55.408 -4.276 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.385 -4.420 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.346 -5.725 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.186 -5.533 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.132 -6.781 0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.447 -4.610 -1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.540 -5.961 -1.849 1.00 0.00 H new ATOM 364 N ALA A 26 55.409 -2.047 0.720 1.00 0.00 N ATOM 365 CA ALA A 26 55.407 -0.626 1.168 1.00 0.00 C ATOM 366 C ALA A 26 56.624 -0.349 2.058 1.00 0.00 C ATOM 367 O ALA A 26 57.104 -1.221 2.753 1.00 0.00 O ATOM 368 CB ALA A 26 54.110 -0.463 1.961 1.00 0.00 C ATOM 0 H ALA A 26 54.502 -2.512 0.746 1.00 0.00 H new ATOM 0 HA ALA A 26 55.463 0.071 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.033 0.561 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.259 -0.682 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.111 -1.151 2.806 1.00 0.00 H new ATOM 374 N TYR A 27 57.130 0.855 2.038 1.00 0.00 N ATOM 375 CA TYR A 27 58.316 1.184 2.879 1.00 0.00 C ATOM 376 C TYR A 27 57.968 1.041 4.363 1.00 0.00 C ATOM 377 O TYR A 27 58.562 0.258 5.076 1.00 0.00 O ATOM 378 CB TYR A 27 58.642 2.640 2.543 1.00 0.00 C ATOM 379 CG TYR A 27 59.525 2.713 1.316 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.554 1.781 1.121 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.316 3.729 0.374 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.369 1.867 -0.015 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.131 3.814 -0.760 1.00 0.00 C ATOM 384 CZ TYR A 27 61.158 2.883 -0.956 1.00 0.00 C ATOM 385 OH TYR A 27 61.961 2.967 -2.075 1.00 0.00 O ATOM 0 H TYR A 27 56.772 1.626 1.474 1.00 0.00 H new ATOM 0 HA TYR A 27 59.159 0.520 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.720 3.195 2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.143 3.112 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.718 0.997 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.524 4.448 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.161 1.149 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.968 4.598 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 27 61.476 3.426 -2.792 1.00 0.00 H new ATOM 395 N LYS A 28 57.010 1.791 4.835 1.00 0.00 N ATOM 396 CA LYS A 28 56.631 1.689 6.273 1.00 0.00 C ATOM 397 C LYS A 28 56.421 0.225 6.645 1.00 0.00 C ATOM 398 O LYS A 28 56.945 -0.263 7.627 1.00 0.00 O ATOM 399 CB LYS A 28 55.323 2.471 6.400 1.00 0.00 C ATOM 400 CG LYS A 28 55.169 2.979 7.835 1.00 0.00 C ATOM 401 CD LYS A 28 53.784 2.601 8.368 1.00 0.00 C ATOM 402 CE LYS A 28 53.889 1.327 9.214 1.00 0.00 C ATOM 403 NZ LYS A 28 54.213 1.798 10.591 1.00 0.00 N ATOM 0 H LYS A 28 56.475 2.467 4.290 1.00 0.00 H new ATOM 0 HA LYS A 28 57.400 2.085 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.319 3.310 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.479 1.834 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.944 2.548 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.298 4.061 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.379 3.416 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.095 2.443 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.954 0.766 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 54.665 0.663 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 54.300 0.979 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 55.111 2.322 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 53.454 2.422 10.932 1.00 0.00 H new ATOM 417 N ASP A 29 55.660 -0.481 5.861 1.00 0.00 N ATOM 418 CA ASP A 29 55.416 -1.919 6.158 1.00 0.00 C ATOM 419 C ASP A 29 56.748 -2.664 6.272 1.00 0.00 C ATOM 420 O ASP A 29 56.927 -3.513 7.123 1.00 0.00 O ATOM 421 CB ASP A 29 54.617 -2.436 4.965 1.00 0.00 C ATOM 422 CG ASP A 29 53.184 -1.905 5.044 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.410 -2.460 5.806 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.886 -0.953 4.342 1.00 0.00 O ATOM 0 H ASP A 29 55.195 -0.125 5.026 1.00 0.00 H new ATOM 0 HA ASP A 29 54.886 -2.065 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.084 -2.116 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.613 -3.526 4.961 1.00 0.00 H new ATOM 429 N VAL A 30 57.685 -2.348 5.421 1.00 0.00 N ATOM 430 CA VAL A 30 59.006 -3.035 5.478 1.00 0.00 C ATOM 431 C VAL A 30 59.636 -2.843 6.857 1.00 0.00 C ATOM 432 O VAL A 30 60.251 -3.737 7.401 1.00 0.00 O ATOM 433 CB VAL A 30 59.854 -2.361 4.400 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.274 -2.926 4.440 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.236 -2.631 3.026 1.00 0.00 C ATOM 0 H VAL A 30 57.593 -1.644 4.689 1.00 0.00 H new ATOM 0 HA VAL A 30 58.922 -4.109 5.312 1.00 0.00 H new ATOM 0 HB VAL A 30 59.886 -1.287 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.879 -2.445 3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.714 -2.736 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.243 -4.000 4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 30 59.839 -2.151 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.205 -3.706 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.223 -2.229 2.997 1.00 0.00 H new ATOM 445 N ALA A 31 59.483 -1.681 7.424 1.00 0.00 N ATOM 446 CA ALA A 31 60.067 -1.425 8.769 1.00 0.00 C ATOM 447 C ALA A 31 59.221 -2.107 9.845 1.00 0.00 C ATOM 448 O ALA A 31 59.701 -2.438 10.911 1.00 0.00 O ATOM 449 CB ALA A 31 60.023 0.094 8.933 1.00 0.00 C ATOM 0 H ALA A 31 58.978 -0.896 7.014 1.00 0.00 H new ATOM 0 HA ALA A 31 61.080 -1.816 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.437 0.367 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.610 0.562 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.990 0.437 8.870 1.00 0.00 H new ATOM 455 N ALA A 32 57.961 -2.318 9.574 1.00 0.00 N ATOM 456 CA ALA A 32 57.084 -2.977 10.582 1.00 0.00 C ATOM 457 C ALA A 32 57.442 -4.462 10.705 1.00 0.00 C ATOM 458 O ALA A 32 57.251 -5.071 11.738 1.00 0.00 O ATOM 459 CB ALA A 32 55.664 -2.810 10.040 1.00 0.00 C ATOM 0 H ALA A 32 57.502 -2.063 8.699 1.00 0.00 H new ATOM 0 HA ALA A 32 57.195 -2.541 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.955 -3.271 10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.435 -1.749 9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.588 -3.291 9.065 1.00 0.00 H new ATOM 465 N LYS A 33 57.962 -5.045 9.660 1.00 0.00 N ATOM 466 CA LYS A 33 58.332 -6.487 9.723 1.00 0.00 C ATOM 467 C LYS A 33 59.748 -6.644 10.281 1.00 0.00 C ATOM 468 O LYS A 33 60.007 -7.491 11.113 1.00 0.00 O ATOM 469 CB LYS A 33 58.262 -6.983 8.277 1.00 0.00 C ATOM 470 CG LYS A 33 58.407 -8.505 8.257 1.00 0.00 C ATOM 471 CD LYS A 33 57.539 -9.084 7.139 1.00 0.00 C ATOM 472 CE LYS A 33 57.114 -10.507 7.507 1.00 0.00 C ATOM 473 NZ LYS A 33 56.272 -10.963 6.367 1.00 0.00 N ATOM 0 H LYS A 33 58.146 -4.587 8.768 1.00 0.00 H new ATOM 0 HA LYS A 33 57.669 -7.055 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.314 -6.691 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.053 -6.523 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.450 -8.780 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.107 -8.922 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.659 -8.459 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 33 58.093 -9.090 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.980 -11.155 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 33 56.555 -10.523 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.942 -11.933 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 55.452 -10.331 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 56.833 -10.944 5.492 1.00 0.00 H new ATOM 487 N TYR A 34 60.668 -5.833 9.835 1.00 0.00 N ATOM 488 CA TYR A 34 62.064 -5.937 10.350 1.00 0.00 C ATOM 489 C TYR A 34 62.190 -5.182 11.676 1.00 0.00 C ATOM 490 O TYR A 34 63.234 -5.168 12.299 1.00 0.00 O ATOM 491 CB TYR A 34 62.937 -5.290 9.274 1.00 0.00 C ATOM 492 CG TYR A 34 63.200 -6.292 8.175 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.168 -7.286 8.354 1.00 0.00 C ATOM 494 CD2 TYR A 34 62.476 -6.227 6.979 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.415 -8.216 7.337 1.00 0.00 C ATOM 496 CE2 TYR A 34 62.723 -7.156 5.961 1.00 0.00 C ATOM 497 CZ TYR A 34 63.691 -8.151 6.140 1.00 0.00 C ATOM 498 OH TYR A 34 63.936 -9.065 5.134 1.00 0.00 O ATOM 0 H TYR A 34 60.515 -5.104 9.138 1.00 0.00 H new ATOM 0 HA TYR A 34 62.360 -6.969 10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.440 -4.409 8.867 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.879 -4.953 9.708 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.725 -7.336 9.278 1.00 0.00 H new ATOM 0 HD2 TYR A 34 61.727 -5.461 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 34 65.163 -8.983 7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 34 62.166 -7.105 5.037 1.00 0.00 H new ATOM 0 HH TYR A 34 63.347 -8.880 4.373 1.00 0.00 H new ATOM 508 N ALA A 35 61.131 -4.554 12.113 1.00 0.00 N ATOM 509 CA ALA A 35 61.189 -3.801 13.399 1.00 0.00 C ATOM 510 C ALA A 35 61.649 -4.722 14.533 1.00 0.00 C ATOM 511 O ALA A 35 60.886 -5.510 15.055 1.00 0.00 O ATOM 512 CB ALA A 35 59.757 -3.325 13.646 1.00 0.00 C ATOM 0 H ALA A 35 60.230 -4.530 11.636 1.00 0.00 H new ATOM 0 HA ALA A 35 61.894 -2.971 13.358 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.717 -2.761 14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.438 -2.687 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.094 -4.187 13.715 1.00 0.00 H new ATOM 518 N GLY A 36 62.893 -4.626 14.918 1.00 0.00 N ATOM 519 CA GLY A 36 63.402 -5.493 16.019 1.00 0.00 C ATOM 520 C GLY A 36 64.724 -6.137 15.597 1.00 0.00 C ATOM 521 O GLY A 36 65.025 -7.255 15.966 1.00 0.00 O ATOM 0 H GLY A 36 63.578 -3.985 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.546 -4.902 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.669 -6.265 16.256 1.00 0.00 H new ATOM 525 N GLN A 37 65.518 -5.443 14.827 1.00 0.00 N ATOM 526 CA GLN A 37 66.820 -6.020 14.385 1.00 0.00 C ATOM 527 C GLN A 37 67.982 -5.187 14.934 1.00 0.00 C ATOM 528 O GLN A 37 67.888 -3.983 15.067 1.00 0.00 O ATOM 529 CB GLN A 37 66.789 -5.948 12.858 1.00 0.00 C ATOM 530 CG GLN A 37 66.364 -7.304 12.289 1.00 0.00 C ATOM 531 CD GLN A 37 67.293 -7.688 11.134 1.00 0.00 C ATOM 532 OE1 GLN A 37 66.841 -8.113 10.090 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.583 -7.557 11.280 1.00 0.00 N ATOM 0 H GLN A 37 65.322 -4.502 14.485 1.00 0.00 H new ATOM 0 HA GLN A 37 66.960 -7.040 14.743 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.095 -5.173 12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.773 -5.674 12.477 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.402 -8.065 13.068 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.333 -7.256 11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.963 -7.200 12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.211 -7.811 10.518 1.00 0.00 H new ATOM 542 N ALA A 38 69.079 -5.819 15.253 1.00 0.00 N ATOM 543 CA ALA A 38 70.243 -5.063 15.790 1.00 0.00 C ATOM 544 C ALA A 38 71.153 -4.610 14.644 1.00 0.00 C ATOM 545 O ALA A 38 72.362 -4.673 14.738 1.00 0.00 O ATOM 546 CB ALA A 38 70.975 -6.055 16.696 1.00 0.00 C ATOM 0 H ALA A 38 69.218 -6.826 15.164 1.00 0.00 H new ATOM 0 HA ALA A 38 69.940 -4.165 16.329 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.849 -5.572 17.132 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.306 -6.383 17.492 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.292 -6.918 16.110 1.00 0.00 H new ATOM 552 N GLY A 39 70.580 -4.152 13.564 1.00 0.00 N ATOM 553 CA GLY A 39 71.412 -3.696 12.414 1.00 0.00 C ATOM 554 C GLY A 39 70.711 -4.047 11.099 1.00 0.00 C ATOM 555 O GLY A 39 71.308 -4.594 10.193 1.00 0.00 O ATOM 0 H GLY A 39 69.572 -4.074 13.428 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.575 -2.620 12.475 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.393 -4.170 12.452 1.00 0.00 H new ATOM 559 N ALA A 40 69.449 -3.735 10.986 1.00 0.00 N ATOM 560 CA ALA A 40 68.709 -4.051 9.729 1.00 0.00 C ATOM 561 C ALA A 40 69.074 -3.043 8.636 1.00 0.00 C ATOM 562 O ALA A 40 69.126 -3.370 7.468 1.00 0.00 O ATOM 563 CB ALA A 40 67.232 -3.931 10.101 1.00 0.00 C ATOM 0 H ALA A 40 68.897 -3.275 11.710 1.00 0.00 H new ATOM 0 HA ALA A 40 68.951 -5.040 9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.618 -4.149 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.998 -4.640 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 40 67.025 -2.918 10.446 1.00 0.00 H new ATOM 569 N GLU A 41 69.327 -1.822 9.010 1.00 0.00 N ATOM 570 CA GLU A 41 69.689 -0.788 7.999 1.00 0.00 C ATOM 571 C GLU A 41 71.018 -1.149 7.326 1.00 0.00 C ATOM 572 O GLU A 41 71.291 -0.743 6.214 1.00 0.00 O ATOM 573 CB GLU A 41 69.822 0.510 8.799 1.00 0.00 C ATOM 574 CG GLU A 41 70.386 1.613 7.902 1.00 0.00 C ATOM 575 CD GLU A 41 71.825 1.923 8.317 1.00 0.00 C ATOM 576 OE1 GLU A 41 72.046 2.142 9.496 1.00 0.00 O ATOM 577 OE2 GLU A 41 72.681 1.938 7.448 1.00 0.00 O ATOM 0 H GLU A 41 69.299 -1.493 9.975 1.00 0.00 H new ATOM 0 HA GLU A 41 68.947 -0.703 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 41 68.850 0.808 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.477 0.355 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.357 1.298 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 41 69.772 2.510 7.981 1.00 0.00 H new ATOM 584 N ALA A 42 71.846 -1.910 7.990 1.00 0.00 N ATOM 585 CA ALA A 42 73.153 -2.295 7.382 1.00 0.00 C ATOM 586 C ALA A 42 72.927 -3.295 6.246 1.00 0.00 C ATOM 587 O ALA A 42 73.398 -3.112 5.140 1.00 0.00 O ATOM 588 CB ALA A 42 73.950 -2.937 8.518 1.00 0.00 C ATOM 0 H ALA A 42 71.675 -2.281 8.925 1.00 0.00 H new ATOM 0 HA ALA A 42 73.679 -1.441 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.927 -3.247 8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.081 -2.215 9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.412 -3.807 8.894 1.00 0.00 H new ATOM 594 N TYR A 43 72.201 -4.349 6.505 1.00 0.00 N ATOM 595 CA TYR A 43 71.940 -5.347 5.431 1.00 0.00 C ATOM 596 C TYR A 43 70.978 -4.745 4.412 1.00 0.00 C ATOM 597 O TYR A 43 70.933 -5.149 3.268 1.00 0.00 O ATOM 598 CB TYR A 43 71.321 -6.547 6.153 1.00 0.00 C ATOM 599 CG TYR A 43 70.592 -7.430 5.170 1.00 0.00 C ATOM 600 CD1 TYR A 43 69.355 -7.031 4.649 1.00 0.00 C ATOM 601 CD2 TYR A 43 71.150 -8.657 4.790 1.00 0.00 C ATOM 602 CE1 TYR A 43 68.678 -7.859 3.745 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.471 -9.484 3.887 1.00 0.00 C ATOM 604 CZ TYR A 43 69.235 -9.086 3.365 1.00 0.00 C ATOM 605 OH TYR A 43 68.569 -9.902 2.475 1.00 0.00 O ATOM 0 H TYR A 43 71.780 -4.561 7.409 1.00 0.00 H new ATOM 0 HA TYR A 43 72.836 -5.640 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.100 -7.118 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.631 -6.201 6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 43 68.924 -6.086 4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.103 -8.965 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 43 67.725 -7.551 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 43 70.901 -10.430 3.593 1.00 0.00 H new ATOM 0 HH TYR A 43 69.095 -10.714 2.319 1.00 0.00 H new ATOM 615 N LEU A 44 70.234 -3.753 4.813 1.00 0.00 N ATOM 616 CA LEU A 44 69.309 -3.094 3.858 1.00 0.00 C ATOM 617 C LEU A 44 70.140 -2.226 2.919 1.00 0.00 C ATOM 618 O LEU A 44 69.776 -1.977 1.788 1.00 0.00 O ATOM 619 CB LEU A 44 68.379 -2.242 4.726 1.00 0.00 C ATOM 620 CG LEU A 44 67.230 -3.112 5.238 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.806 -2.641 6.630 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.042 -3.004 4.280 1.00 0.00 C ATOM 0 H LEU A 44 70.228 -3.372 5.759 1.00 0.00 H new ATOM 0 HA LEU A 44 68.735 -3.792 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.932 -1.819 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 44 67.987 -1.405 4.147 1.00 0.00 H new ATOM 0 HG LEU A 44 67.561 -4.149 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.987 -3.263 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.651 -2.720 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.477 -1.603 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.223 -3.624 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.714 -1.966 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.342 -3.345 3.289 1.00 0.00 H new ATOM 634 N ALA A 45 71.276 -1.783 3.386 1.00 0.00 N ATOM 635 CA ALA A 45 72.162 -0.950 2.533 1.00 0.00 C ATOM 636 C ALA A 45 72.930 -1.847 1.563 1.00 0.00 C ATOM 637 O ALA A 45 73.235 -1.459 0.452 1.00 0.00 O ATOM 638 CB ALA A 45 73.121 -0.261 3.505 1.00 0.00 C ATOM 0 H ALA A 45 71.627 -1.965 4.326 1.00 0.00 H new ATOM 0 HA ALA A 45 71.608 -0.226 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.809 0.374 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.552 0.349 4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.686 -1.014 4.054 1.00 0.00 H new ATOM 644 N GLN A 46 73.244 -3.051 1.970 1.00 0.00 N ATOM 645 CA GLN A 46 73.990 -3.964 1.058 1.00 0.00 C ATOM 646 C GLN A 46 73.045 -4.547 0.006 1.00 0.00 C ATOM 647 O GLN A 46 73.424 -4.764 -1.127 1.00 0.00 O ATOM 648 CB GLN A 46 74.542 -5.069 1.960 1.00 0.00 C ATOM 649 CG GLN A 46 76.049 -4.879 2.144 1.00 0.00 C ATOM 650 CD GLN A 46 76.351 -4.593 3.616 1.00 0.00 C ATOM 651 OE1 GLN A 46 75.448 -4.397 4.405 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.590 -4.559 4.022 1.00 0.00 N ATOM 0 H GLN A 46 73.018 -3.437 2.887 1.00 0.00 H new ATOM 0 HA GLN A 46 74.785 -3.449 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.042 -5.045 2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.340 -6.046 1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.581 -5.773 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.401 -4.055 1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 46 78.348 -4.724 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.801 -4.368 5.002 1.00 0.00 H new ATOM 661 N ARG A 47 71.815 -4.797 0.367 1.00 0.00 N ATOM 662 CA ARG A 47 70.853 -5.356 -0.625 1.00 0.00 C ATOM 663 C ARG A 47 70.299 -4.229 -1.492 1.00 0.00 C ATOM 664 O ARG A 47 69.839 -4.450 -2.593 1.00 0.00 O ATOM 665 CB ARG A 47 69.741 -5.994 0.206 1.00 0.00 C ATOM 666 CG ARG A 47 70.317 -7.142 1.036 1.00 0.00 C ATOM 667 CD ARG A 47 70.983 -8.163 0.112 1.00 0.00 C ATOM 668 NE ARG A 47 71.485 -9.229 1.024 1.00 0.00 N ATOM 669 CZ ARG A 47 72.576 -9.042 1.717 1.00 0.00 C ATOM 670 NH1 ARG A 47 73.235 -7.918 1.613 1.00 0.00 N ATOM 671 NH2 ARG A 47 73.009 -9.977 2.517 1.00 0.00 N ATOM 0 H ARG A 47 71.437 -4.639 1.301 1.00 0.00 H new ATOM 0 HA ARG A 47 71.317 -6.081 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.289 -5.249 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.951 -6.365 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.043 -6.757 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.525 -7.621 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.274 -8.563 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.797 -7.712 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 47 70.975 -10.108 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.897 -7.185 0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.087 -7.774 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.495 -10.854 2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.861 -9.831 3.058 1.00 0.00 H new ATOM 685 N ILE A 48 70.352 -3.020 -1.008 1.00 0.00 N ATOM 686 CA ILE A 48 69.842 -1.879 -1.813 1.00 0.00 C ATOM 687 C ILE A 48 70.907 -1.458 -2.830 1.00 0.00 C ATOM 688 O ILE A 48 70.600 -0.978 -3.902 1.00 0.00 O ATOM 689 CB ILE A 48 69.577 -0.762 -0.802 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.239 -1.016 -0.101 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.517 0.586 -1.526 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.014 0.057 0.965 1.00 0.00 C ATOM 0 H ILE A 48 70.726 -2.774 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 48 68.941 -2.126 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 48 70.381 -0.745 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.426 -0.999 -0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.237 -2.005 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.328 1.379 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.466 0.772 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.714 0.568 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.062 -0.121 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 48 68.821 0.018 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 48 67.998 1.040 0.494 1.00 0.00 H new ATOM 704 N LYS A 49 72.160 -1.639 -2.504 1.00 0.00 N ATOM 705 CA LYS A 49 73.237 -1.254 -3.458 1.00 0.00 C ATOM 706 C LYS A 49 73.511 -2.399 -4.436 1.00 0.00 C ATOM 707 O LYS A 49 74.016 -2.194 -5.522 1.00 0.00 O ATOM 708 CB LYS A 49 74.464 -0.992 -2.583 1.00 0.00 C ATOM 709 CG LYS A 49 75.132 0.315 -3.013 1.00 0.00 C ATOM 710 CD LYS A 49 76.620 0.068 -3.275 1.00 0.00 C ATOM 711 CE LYS A 49 77.407 1.355 -3.008 1.00 0.00 C ATOM 712 NZ LYS A 49 78.642 0.913 -2.301 1.00 0.00 N ATOM 0 H LYS A 49 72.482 -2.036 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 49 72.968 -0.383 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.170 -0.934 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.169 -1.819 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.653 0.701 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.009 1.071 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.985 -0.734 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.770 -0.255 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.648 1.870 -3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.831 2.051 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.233 1.741 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.382 0.432 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.174 0.257 -2.908 1.00 0.00 H new ATOM 726 N ASN A 50 73.185 -3.606 -4.059 1.00 0.00 N ATOM 727 CA ASN A 50 73.431 -4.764 -4.966 1.00 0.00 C ATOM 728 C ASN A 50 72.109 -5.452 -5.323 1.00 0.00 C ATOM 729 O ASN A 50 72.084 -6.425 -6.051 1.00 0.00 O ATOM 730 CB ASN A 50 74.323 -5.710 -4.163 1.00 0.00 C ATOM 731 CG ASN A 50 75.695 -5.811 -4.832 1.00 0.00 C ATOM 732 OD1 ASN A 50 76.504 -4.911 -4.722 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.993 -6.876 -5.524 1.00 0.00 N ATOM 0 H ASN A 50 72.759 -3.840 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 50 73.894 -4.460 -5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.431 -5.345 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.863 -6.696 -4.102 1.00 0.00 H new ATOM 0 HD21 ASN A 50 76.906 -6.954 -5.973 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.313 -7.631 -5.616 1.00 0.00 H new ATOM 740 N GLY A 51 71.014 -4.957 -4.819 1.00 0.00 N ATOM 741 CA GLY A 51 69.699 -5.587 -5.133 1.00 0.00 C ATOM 742 C GLY A 51 69.723 -7.055 -4.699 1.00 0.00 C ATOM 743 O GLY A 51 70.779 -7.638 -4.549 1.00 0.00 O ATOM 0 H GLY A 51 70.971 -4.145 -4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.897 -5.057 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.495 -5.515 -6.201 1.00 0.00 H new ATOM 747 N SER A 52 68.584 -7.673 -4.489 1.00 0.00 N ATOM 748 CA SER A 52 68.624 -9.112 -4.062 1.00 0.00 C ATOM 749 C SER A 52 67.222 -9.724 -3.917 1.00 0.00 C ATOM 750 O SER A 52 66.242 -9.029 -3.737 1.00 0.00 O ATOM 751 CB SER A 52 69.337 -9.089 -2.709 1.00 0.00 C ATOM 752 OG SER A 52 68.520 -9.712 -1.725 1.00 0.00 O ATOM 0 H SER A 52 67.656 -7.262 -4.590 1.00 0.00 H new ATOM 0 HA SER A 52 69.130 -9.728 -4.806 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.293 -9.607 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.553 -8.061 -2.418 1.00 0.00 H new ATOM 0 HG SER A 52 69.047 -10.378 -1.236 1.00 0.00 H new ATOM 758 N GLN A 53 67.136 -11.035 -3.977 1.00 0.00 N ATOM 759 CA GLN A 53 65.815 -11.723 -3.830 1.00 0.00 C ATOM 760 C GLN A 53 65.781 -12.501 -2.505 1.00 0.00 C ATOM 761 O GLN A 53 66.674 -12.388 -1.688 1.00 0.00 O ATOM 762 CB GLN A 53 65.704 -12.654 -5.063 1.00 0.00 C ATOM 763 CG GLN A 53 65.881 -14.137 -4.696 1.00 0.00 C ATOM 764 CD GLN A 53 67.235 -14.346 -4.015 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.297 -14.772 -2.879 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.330 -14.064 -4.667 1.00 0.00 N ATOM 0 H GLN A 53 67.930 -11.659 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 53 64.973 -11.032 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.732 -12.513 -5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.459 -12.372 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.077 -14.455 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.816 -14.753 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.278 -13.706 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.238 -14.201 -4.223 1.00 0.00 H new ATOM 775 N GLY A 54 64.760 -13.280 -2.283 1.00 0.00 N ATOM 776 CA GLY A 54 64.678 -14.051 -1.011 1.00 0.00 C ATOM 777 C GLY A 54 64.411 -13.079 0.133 1.00 0.00 C ATOM 778 O GLY A 54 64.635 -13.378 1.288 1.00 0.00 O ATOM 0 H GLY A 54 63.980 -13.416 -2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.882 -14.793 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.607 -14.593 -0.837 1.00 0.00 H new ATOM 782 N VAL A 55 63.933 -11.911 -0.190 1.00 0.00 N ATOM 783 CA VAL A 55 63.645 -10.900 0.862 1.00 0.00 C ATOM 784 C VAL A 55 62.151 -10.907 1.193 1.00 0.00 C ATOM 785 O VAL A 55 61.736 -11.398 2.224 1.00 0.00 O ATOM 786 CB VAL A 55 64.062 -9.568 0.234 1.00 0.00 C ATOM 787 CG1 VAL A 55 63.965 -8.454 1.274 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.505 -9.675 -0.266 1.00 0.00 C ATOM 0 H VAL A 55 63.728 -11.612 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 55 64.173 -11.093 1.796 1.00 0.00 H new ATOM 0 HB VAL A 55 63.400 -9.338 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.263 -7.508 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.938 -8.378 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.625 -8.680 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.806 -8.728 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.164 -9.906 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.574 -10.467 -1.011 1.00 0.00 H new ATOM 798 N TRP A 56 61.341 -10.373 0.321 1.00 0.00 N ATOM 799 CA TRP A 56 59.877 -10.353 0.573 1.00 0.00 C ATOM 800 C TRP A 56 59.186 -11.370 -0.336 1.00 0.00 C ATOM 801 O TRP A 56 58.256 -12.046 0.059 1.00 0.00 O ATOM 802 CB TRP A 56 59.449 -8.938 0.206 1.00 0.00 C ATOM 803 CG TRP A 56 60.048 -7.966 1.172 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.204 -7.290 0.974 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.547 -7.548 2.475 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.442 -6.481 2.072 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.449 -6.605 3.022 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.408 -7.890 3.227 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.230 -6.023 4.270 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.185 -7.304 4.484 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.093 -6.374 5.003 1.00 0.00 C ATOM 0 H TRP A 56 61.634 -9.948 -0.559 1.00 0.00 H new ATOM 0 HA TRP A 56 59.619 -10.609 1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.770 -8.702 -0.809 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.362 -8.860 0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.837 -7.369 0.102 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.252 -5.868 2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.701 -8.607 2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 60.934 -5.306 4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.308 -7.573 5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 56 58.915 -5.927 5.970 1.00 0.00 H new ATOM 822 N GLY A 57 59.641 -11.477 -1.553 1.00 0.00 N ATOM 823 CA GLY A 57 59.026 -12.445 -2.504 1.00 0.00 C ATOM 824 C GLY A 57 59.998 -12.709 -3.660 1.00 0.00 C ATOM 825 O GLY A 57 61.162 -12.373 -3.576 1.00 0.00 O ATOM 0 H GLY A 57 60.416 -10.933 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.792 -13.378 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.086 -12.048 -2.888 1.00 0.00 H new ATOM 829 N PRO A 58 59.486 -13.306 -4.711 1.00 0.00 N ATOM 830 CA PRO A 58 60.317 -13.621 -5.905 1.00 0.00 C ATOM 831 C PRO A 58 60.699 -12.354 -6.691 1.00 0.00 C ATOM 832 O PRO A 58 61.156 -12.440 -7.815 1.00 0.00 O ATOM 833 CB PRO A 58 59.371 -14.492 -6.740 1.00 0.00 C ATOM 834 CG PRO A 58 58.029 -14.622 -5.996 1.00 0.00 C ATOM 835 CD PRO A 58 58.065 -13.714 -4.760 1.00 0.00 C ATOM 0 HA PRO A 58 61.263 -14.097 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.216 -14.046 -7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.809 -15.477 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.205 -14.338 -6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.859 -15.657 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.399 -12.857 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.763 -14.244 -3.857 1.00 0.00 H new ATOM 843 N ILE A 59 60.518 -11.184 -6.134 1.00 0.00 N ATOM 844 CA ILE A 59 60.881 -9.947 -6.884 1.00 0.00 C ATOM 845 C ILE A 59 62.101 -9.274 -6.242 1.00 0.00 C ATOM 846 O ILE A 59 61.959 -8.321 -5.502 1.00 0.00 O ATOM 847 CB ILE A 59 59.657 -9.037 -6.777 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.389 -9.848 -7.058 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.774 -7.906 -7.800 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.200 -8.897 -7.208 1.00 0.00 C ATOM 0 H ILE A 59 60.138 -11.033 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 59 61.141 -10.161 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 59 59.604 -8.617 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.515 -10.437 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.206 -10.551 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.902 -7.256 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.676 -7.327 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.827 -8.327 -8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.296 -9.473 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.071 -8.328 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.384 -8.212 -8.035 1.00 0.00 H new ATOM 862 N PRO A 60 63.268 -9.790 -6.548 1.00 0.00 N ATOM 863 CA PRO A 60 64.520 -9.224 -5.993 1.00 0.00 C ATOM 864 C PRO A 60 64.690 -7.764 -6.405 1.00 0.00 C ATOM 865 O PRO A 60 64.344 -7.374 -7.502 1.00 0.00 O ATOM 866 CB PRO A 60 65.600 -10.079 -6.659 1.00 0.00 C ATOM 867 CG PRO A 60 64.919 -11.115 -7.576 1.00 0.00 C ATOM 868 CD PRO A 60 63.399 -10.955 -7.453 1.00 0.00 C ATOM 0 HA PRO A 60 64.548 -9.240 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.276 -9.450 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.202 -10.583 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.232 -10.969 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.217 -12.124 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.931 -10.771 -8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.930 -11.846 -7.036 1.00 0.00 H new ATOM 876 N MET A 61 65.240 -6.958 -5.544 1.00 0.00 N ATOM 877 CA MET A 61 65.453 -5.534 -5.902 1.00 0.00 C ATOM 878 C MET A 61 66.615 -5.420 -6.889 1.00 0.00 C ATOM 879 O MET A 61 67.645 -6.020 -6.673 1.00 0.00 O ATOM 880 CB MET A 61 65.834 -4.858 -4.593 1.00 0.00 C ATOM 881 CG MET A 61 66.388 -3.459 -4.887 1.00 0.00 C ATOM 882 SD MET A 61 66.444 -2.474 -3.366 1.00 0.00 S ATOM 883 CE MET A 61 66.819 -3.818 -2.214 1.00 0.00 C ATOM 0 H MET A 61 65.550 -7.224 -4.610 1.00 0.00 H new ATOM 0 HA MET A 61 64.573 -5.087 -6.365 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.964 -4.787 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.580 -5.454 -4.067 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.388 -3.538 -5.314 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.763 -2.961 -5.628 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.257 -3.406 -1.305 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.901 -4.351 -1.966 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.525 -4.508 -2.677 1.00 0.00 H new ATOM 893 N PRO A 62 66.432 -4.642 -7.926 1.00 0.00 N ATOM 894 CA PRO A 62 67.510 -4.445 -8.921 1.00 0.00 C ATOM 895 C PRO A 62 68.638 -3.624 -8.282 1.00 0.00 C ATOM 896 O PRO A 62 68.372 -2.687 -7.554 1.00 0.00 O ATOM 897 CB PRO A 62 66.807 -3.642 -10.022 1.00 0.00 C ATOM 898 CG PRO A 62 65.344 -3.406 -9.600 1.00 0.00 C ATOM 899 CD PRO A 62 65.153 -3.938 -8.174 1.00 0.00 C ATOM 0 HA PRO A 62 67.960 -5.367 -9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.314 -2.690 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.845 -4.183 -10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.105 -2.343 -9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.666 -3.913 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.987 -3.133 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.298 -4.610 -8.102 1.00 0.00 H new ATOM 907 N PRO A 63 69.862 -3.992 -8.559 1.00 0.00 N ATOM 908 CA PRO A 63 71.014 -3.261 -7.980 1.00 0.00 C ATOM 909 C PRO A 63 70.991 -1.798 -8.432 1.00 0.00 C ATOM 910 O PRO A 63 70.811 -1.500 -9.596 1.00 0.00 O ATOM 911 CB PRO A 63 72.214 -4.008 -8.561 1.00 0.00 C ATOM 912 CG PRO A 63 71.700 -5.150 -9.462 1.00 0.00 C ATOM 913 CD PRO A 63 70.164 -5.134 -9.451 1.00 0.00 C ATOM 0 HA PRO A 63 71.021 -3.234 -6.890 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.840 -3.326 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.833 -4.410 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.072 -5.025 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.070 -6.110 -9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.753 -4.989 -10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.751 -6.068 -9.069 1.00 0.00 H new ATOM 921 N ASN A 64 71.159 -0.882 -7.517 1.00 0.00 N ATOM 922 CA ASN A 64 71.130 0.559 -7.896 1.00 0.00 C ATOM 923 C ASN A 64 72.534 1.166 -7.828 1.00 0.00 C ATOM 924 O ASN A 64 73.475 0.537 -7.385 1.00 0.00 O ATOM 925 CB ASN A 64 70.216 1.213 -6.862 1.00 0.00 C ATOM 926 CG ASN A 64 68.881 0.468 -6.822 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.802 -0.669 -6.187 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.901 0.924 -7.376 1.00 0.00 N flip ATOM 0 H ASN A 64 71.315 -1.069 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 64 70.777 0.708 -8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.687 1.192 -5.879 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.053 2.261 -7.115 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.963 1.813 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.016 0.418 -7.345 1.00 0.00 H new ATOM 935 N ALA A 65 72.679 2.388 -8.262 1.00 0.00 N ATOM 936 CA ALA A 65 74.019 3.042 -8.221 1.00 0.00 C ATOM 937 C ALA A 65 74.109 3.973 -7.011 1.00 0.00 C ATOM 938 O ALA A 65 74.759 4.999 -7.050 1.00 0.00 O ATOM 939 CB ALA A 65 74.114 3.841 -9.520 1.00 0.00 C ATOM 0 H ALA A 65 71.928 2.963 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 65 74.830 2.319 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.076 4.352 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.024 3.165 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.310 4.576 -9.554 1.00 0.00 H new ATOM 945 N VAL A 66 73.465 3.618 -5.937 1.00 0.00 N ATOM 946 CA VAL A 66 73.512 4.476 -4.719 1.00 0.00 C ATOM 947 C VAL A 66 74.837 4.262 -3.982 1.00 0.00 C ATOM 948 O VAL A 66 75.156 3.162 -3.574 1.00 0.00 O ATOM 949 CB VAL A 66 72.335 4.015 -3.853 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.021 4.413 -4.524 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.384 2.493 -3.691 1.00 0.00 C ATOM 0 H VAL A 66 72.906 2.769 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 66 73.443 5.537 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 66 72.400 4.487 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.184 4.085 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.985 5.496 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.956 3.942 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.547 2.166 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.320 2.021 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.320 2.208 -3.211 1.00 0.00 H new ATOM 961 N SER A 67 75.610 5.299 -3.808 1.00 0.00 N ATOM 962 CA SER A 67 76.912 5.145 -3.096 1.00 0.00 C ATOM 963 C SER A 67 76.700 4.393 -1.780 1.00 0.00 C ATOM 964 O SER A 67 75.602 3.997 -1.454 1.00 0.00 O ATOM 965 CB SER A 67 77.386 6.572 -2.825 1.00 0.00 C ATOM 966 OG SER A 67 77.242 7.347 -4.007 1.00 0.00 O ATOM 0 H SER A 67 75.398 6.244 -4.127 1.00 0.00 H new ATOM 0 HA SER A 67 77.640 4.578 -3.677 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.805 7.013 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.428 6.567 -2.504 1.00 0.00 H new ATOM 0 HG SER A 67 77.544 8.264 -3.836 1.00 0.00 H new ATOM 972 N ASP A 68 77.739 4.196 -1.018 1.00 0.00 N ATOM 973 CA ASP A 68 77.578 3.473 0.274 1.00 0.00 C ATOM 974 C ASP A 68 76.761 4.327 1.244 1.00 0.00 C ATOM 975 O ASP A 68 75.718 3.921 1.716 1.00 0.00 O ATOM 976 CB ASP A 68 78.999 3.266 0.798 1.00 0.00 C ATOM 977 CG ASP A 68 78.947 2.901 2.283 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.082 2.123 2.651 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.771 3.407 3.026 1.00 0.00 O ATOM 0 H ASP A 68 78.688 4.502 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 68 77.053 2.525 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.494 2.475 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.586 4.173 0.656 1.00 0.00 H new ATOM 984 N ASP A 69 77.220 5.512 1.537 1.00 0.00 N ATOM 985 CA ASP A 69 76.457 6.390 2.465 1.00 0.00 C ATOM 986 C ASP A 69 75.068 6.657 1.886 1.00 0.00 C ATOM 987 O ASP A 69 74.159 7.070 2.580 1.00 0.00 O ATOM 988 CB ASP A 69 77.269 7.684 2.547 1.00 0.00 C ATOM 989 CG ASP A 69 78.570 7.423 3.308 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.525 6.695 4.286 1.00 0.00 O ATOM 991 OD2 ASP A 69 79.590 7.951 2.898 1.00 0.00 O ATOM 0 H ASP A 69 78.087 5.909 1.175 1.00 0.00 H new ATOM 0 HA ASP A 69 76.317 5.943 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.489 8.052 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.690 8.458 3.051 1.00 0.00 H new ATOM 996 N GLU A 70 74.897 6.417 0.614 1.00 0.00 N ATOM 997 CA GLU A 70 73.569 6.647 -0.019 1.00 0.00 C ATOM 998 C GLU A 70 72.618 5.501 0.329 1.00 0.00 C ATOM 999 O GLU A 70 71.512 5.717 0.779 1.00 0.00 O ATOM 1000 CB GLU A 70 73.844 6.684 -1.523 1.00 0.00 C ATOM 1001 CG GLU A 70 74.095 8.129 -1.960 1.00 0.00 C ATOM 1002 CD GLU A 70 72.862 8.665 -2.690 1.00 0.00 C ATOM 1003 OE1 GLU A 70 71.780 8.169 -2.425 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.022 9.562 -3.502 1.00 0.00 O ATOM 0 H GLU A 70 75.622 6.071 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 70 73.098 7.567 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.709 6.065 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.996 6.270 -2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.314 8.750 -1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.966 8.176 -2.613 1.00 0.00 H new ATOM 1011 N ALA A 71 73.046 4.286 0.139 1.00 0.00 N ATOM 1012 CA ALA A 71 72.167 3.128 0.472 1.00 0.00 C ATOM 1013 C ALA A 71 71.946 3.081 1.984 1.00 0.00 C ATOM 1014 O ALA A 71 70.975 2.533 2.465 1.00 0.00 O ATOM 1015 CB ALA A 71 72.932 1.892 -0.002 1.00 0.00 C ATOM 0 H ALA A 71 73.965 4.043 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 71 71.187 3.193 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.346 0.998 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.110 1.963 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.887 1.832 0.521 1.00 0.00 H new ATOM 1021 N GLN A 72 72.837 3.672 2.735 1.00 0.00 N ATOM 1022 CA GLN A 72 72.672 3.685 4.213 1.00 0.00 C ATOM 1023 C GLN A 72 71.543 4.643 4.567 1.00 0.00 C ATOM 1024 O GLN A 72 70.674 4.339 5.361 1.00 0.00 O ATOM 1025 CB GLN A 72 74.007 4.191 4.764 1.00 0.00 C ATOM 1026 CG GLN A 72 74.994 3.027 4.862 1.00 0.00 C ATOM 1027 CD GLN A 72 76.282 3.507 5.536 1.00 0.00 C ATOM 1028 OE1 GLN A 72 76.898 4.454 5.089 1.00 0.00 O ATOM 1029 NE2 GLN A 72 76.714 2.890 6.602 1.00 0.00 N ATOM 0 H GLN A 72 73.671 4.145 2.387 1.00 0.00 H new ATOM 0 HA GLN A 72 72.423 2.707 4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.409 4.969 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.860 4.640 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.554 2.210 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.214 2.638 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.196 2.095 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.570 3.203 7.061 1.00 0.00 H new ATOM 1038 N THR A 73 71.536 5.791 3.955 1.00 0.00 N ATOM 1039 CA THR A 73 70.448 6.767 4.220 1.00 0.00 C ATOM 1040 C THR A 73 69.161 6.241 3.590 1.00 0.00 C ATOM 1041 O THR A 73 68.067 6.571 4.004 1.00 0.00 O ATOM 1042 CB THR A 73 70.898 8.060 3.541 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.308 8.188 3.658 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.215 9.255 4.211 1.00 0.00 C ATOM 0 H THR A 73 72.238 6.096 3.281 1.00 0.00 H new ATOM 0 HA THR A 73 70.260 6.926 5.282 1.00 0.00 H new ATOM 0 HB THR A 73 70.623 8.033 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.731 7.931 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.537 10.177 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 73 69.134 9.155 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.488 9.286 5.266 1.00 0.00 H new ATOM 1052 N LEU A 74 69.294 5.403 2.594 1.00 0.00 N ATOM 1053 CA LEU A 74 68.087 4.828 1.936 1.00 0.00 C ATOM 1054 C LEU A 74 67.386 3.884 2.910 1.00 0.00 C ATOM 1055 O LEU A 74 66.174 3.834 2.983 1.00 0.00 O ATOM 1056 CB LEU A 74 68.616 4.060 0.723 1.00 0.00 C ATOM 1057 CG LEU A 74 68.909 5.040 -0.415 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.495 4.282 -1.608 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.612 5.731 -0.839 1.00 0.00 C ATOM 0 H LEU A 74 70.187 5.093 2.210 1.00 0.00 H new ATOM 0 HA LEU A 74 67.365 5.589 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.522 3.516 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.884 3.320 0.400 1.00 0.00 H new ATOM 0 HG LEU A 74 69.626 5.787 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.703 4.982 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.420 3.790 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.780 3.534 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.820 6.429 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.896 4.983 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.195 6.274 0.009 1.00 0.00 H new ATOM 1071 N ALA A 75 68.145 3.144 3.674 1.00 0.00 N ATOM 1072 CA ALA A 75 67.529 2.214 4.661 1.00 0.00 C ATOM 1073 C ALA A 75 66.884 3.028 5.781 1.00 0.00 C ATOM 1074 O ALA A 75 65.730 2.845 6.115 1.00 0.00 O ATOM 1075 CB ALA A 75 68.689 1.378 5.203 1.00 0.00 C ATOM 0 H ALA A 75 69.165 3.144 3.656 1.00 0.00 H new ATOM 0 HA ALA A 75 66.755 1.584 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.313 0.667 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.161 0.836 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.421 2.034 5.674 1.00 0.00 H new ATOM 1081 N LYS A 76 67.621 3.938 6.356 1.00 0.00 N ATOM 1082 CA LYS A 76 67.050 4.778 7.442 1.00 0.00 C ATOM 1083 C LYS A 76 65.888 5.602 6.886 1.00 0.00 C ATOM 1084 O LYS A 76 65.010 6.024 7.610 1.00 0.00 O ATOM 1085 CB LYS A 76 68.196 5.686 7.884 1.00 0.00 C ATOM 1086 CG LYS A 76 68.918 5.052 9.075 1.00 0.00 C ATOM 1087 CD LYS A 76 70.408 5.393 9.010 1.00 0.00 C ATOM 1088 CE LYS A 76 70.851 6.018 10.336 1.00 0.00 C ATOM 1089 NZ LYS A 76 70.780 4.910 11.329 1.00 0.00 N ATOM 0 H LYS A 76 68.594 4.135 6.120 1.00 0.00 H new ATOM 0 HA LYS A 76 66.663 4.190 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.894 5.836 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.811 6.668 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.491 5.417 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 68.781 3.971 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 76 70.989 4.493 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 76 70.597 6.085 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 76 71.862 6.419 10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.199 6.844 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 71.342 5.159 12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 69.790 4.757 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 71.158 4.039 10.905 1.00 0.00 H new ATOM 1103 N TRP A 77 65.877 5.825 5.599 1.00 0.00 N ATOM 1104 CA TRP A 77 64.772 6.612 4.983 1.00 0.00 C ATOM 1105 C TRP A 77 63.496 5.770 4.937 1.00 0.00 C ATOM 1106 O TRP A 77 62.416 6.246 5.222 1.00 0.00 O ATOM 1107 CB TRP A 77 65.257 6.933 3.571 1.00 0.00 C ATOM 1108 CG TRP A 77 64.139 7.526 2.774 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.525 8.702 3.046 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.497 6.997 1.580 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.548 8.926 2.094 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.491 7.904 1.169 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.686 5.829 0.821 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.703 7.661 0.043 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.895 5.580 -0.313 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.905 6.497 -0.700 1.00 0.00 C ATOM 0 H TRP A 77 66.588 5.495 4.947 1.00 0.00 H new ATOM 0 HA TRP A 77 64.538 7.515 5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.095 7.629 3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.620 6.027 3.087 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.760 9.358 3.871 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.943 9.747 2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.445 5.118 1.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.942 8.369 -0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 63.049 4.680 -0.889 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.300 6.302 -1.573 1.00 0.00 H new ATOM 1127 N ILE A 78 63.614 4.518 4.585 1.00 0.00 N ATOM 1128 CA ILE A 78 62.405 3.649 4.528 1.00 0.00 C ATOM 1129 C ILE A 78 61.795 3.516 5.925 1.00 0.00 C ATOM 1130 O ILE A 78 60.639 3.823 6.139 1.00 0.00 O ATOM 1131 CB ILE A 78 62.904 2.288 4.033 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.420 2.406 2.595 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.752 1.283 4.075 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.132 1.111 2.202 1.00 0.00 C ATOM 0 H ILE A 78 64.491 4.062 4.336 1.00 0.00 H new ATOM 0 HA ILE A 78 61.635 4.058 3.873 1.00 0.00 H new ATOM 0 HB ILE A 78 63.717 1.950 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.591 2.599 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 78 64.104 3.250 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.103 0.313 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.389 1.189 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 78 60.942 1.631 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.499 1.194 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 78 64.971 0.938 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 78 63.434 0.277 2.270 1.00 0.00 H new ATOM 1146 N LEU A 79 62.565 3.065 6.877 1.00 0.00 N ATOM 1147 CA LEU A 79 62.031 2.919 8.261 1.00 0.00 C ATOM 1148 C LEU A 79 61.699 4.295 8.837 1.00 0.00 C ATOM 1149 O LEU A 79 60.957 4.419 9.792 1.00 0.00 O ATOM 1150 CB LEU A 79 63.157 2.260 9.057 1.00 0.00 C ATOM 1151 CG LEU A 79 63.291 0.796 8.636 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.585 0.612 7.842 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.327 -0.091 9.883 1.00 0.00 C ATOM 0 H LEU A 79 63.540 2.791 6.757 1.00 0.00 H new ATOM 0 HA LEU A 79 61.116 2.328 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.096 2.787 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.948 2.325 10.125 1.00 0.00 H new ATOM 0 HG LEU A 79 62.440 0.516 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.682 -0.431 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.561 1.245 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.436 0.891 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.422 -1.135 9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.178 0.188 10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.406 0.041 10.450 1.00 0.00 H new ATOM 1165 N SER A 80 62.242 5.331 8.260 1.00 0.00 N ATOM 1166 CA SER A 80 61.958 6.702 8.767 1.00 0.00 C ATOM 1167 C SER A 80 60.586 7.170 8.280 1.00 0.00 C ATOM 1168 O SER A 80 59.917 7.944 8.935 1.00 0.00 O ATOM 1169 CB SER A 80 63.063 7.580 8.183 1.00 0.00 C ATOM 1170 OG SER A 80 62.632 8.935 8.184 1.00 0.00 O ATOM 0 H SER A 80 62.871 5.287 7.458 1.00 0.00 H new ATOM 0 HA SER A 80 61.940 6.744 9.856 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.976 7.476 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.299 7.261 7.168 1.00 0.00 H new ATOM 0 HG SER A 80 63.338 9.503 7.812 1.00 0.00 H new