USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 25 GLN : amide:sc= -3.52! C(o=-4.4!,f=-2.5!) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= -0.858 USER MOD Set 2.1: A 66 GLN : amide:sc= -1.15 K(o=-2.3,f=-0.14) USER MOD Set 2.2: A 68 THR OG1 : rot 169:sc= -1.15 USER MOD Set 3.1: A 13 SER OG : rot -29:sc= 0.534! USER MOD Set 3.2: A 14 SER OG : rot 26:sc= 0.95 USER MOD Set 3.3: A 17 SER OG : rot 94:sc= 1.12 USER MOD Single : A 7 SER OG : rot 24:sc= 0.435 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.558 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -118:sc= 0.128 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.0641 (180deg=-0.202) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -3.5! (180deg=-5.71!) USER MOD Single : A 54 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.56) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0584 (180deg=-0.524) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.015) USER MOD Single : A 69 MET CE :methyl -173:sc= -2.11 (180deg=-2.22) USER MOD Single : A 71 TYR OH : rot -30:sc= -0.438 USER MOD Single : A 74 GLN : amide:sc=-0.00429 K(o=-0.0043,f=-1.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.445! C(o=-0.44!,f=-8.1!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 150:sc= -0.24 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.082 USER MOD Single : A 93 MET CE :methyl -126:sc= -0.284 (180deg=-1.47) USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0165) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 10.030 11.063 -4.609 1.00 0.00 N ATOM 66 CA PRO A 5 10.380 9.612 -4.541 1.00 0.00 C ATOM 67 C PRO A 5 9.466 8.829 -3.589 1.00 0.00 C ATOM 68 O PRO A 5 8.986 9.385 -2.602 1.00 0.00 O ATOM 69 CB PRO A 5 11.820 9.641 -4.038 1.00 0.00 C ATOM 70 CG PRO A 5 12.401 10.885 -4.640 1.00 0.00 C ATOM 71 CD PRO A 5 11.240 11.888 -4.780 1.00 0.00 C ATOM 0 HA PRO A 5 10.259 9.104 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.860 9.671 -2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.369 8.753 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.190 11.291 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.850 10.673 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.298 12.672 -4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.253 12.380 -5.753 1.00 0.00 H new ATOM 79 N PRO A 6 9.207 7.558 -3.849 1.00 0.00 N ATOM 80 CA PRO A 6 8.330 6.728 -2.978 1.00 0.00 C ATOM 81 C PRO A 6 8.504 6.974 -1.484 1.00 0.00 C ATOM 82 O PRO A 6 9.473 7.596 -1.043 1.00 0.00 O ATOM 83 CB PRO A 6 8.703 5.306 -3.363 1.00 0.00 C ATOM 84 CG PRO A 6 8.950 5.418 -4.818 1.00 0.00 C ATOM 85 CD PRO A 6 9.686 6.757 -5.001 1.00 0.00 C ATOM 0 HA PRO A 6 7.279 6.968 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.587 4.960 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.900 4.603 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.552 4.585 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.015 5.403 -5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.768 6.629 -4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.437 7.228 -5.952 1.00 0.00 H new ATOM 93 N SER A 7 7.524 6.493 -0.718 1.00 0.00 N ATOM 94 CA SER A 7 7.514 6.663 0.728 1.00 0.00 C ATOM 95 C SER A 7 6.694 5.546 1.376 1.00 0.00 C ATOM 96 O SER A 7 5.780 5.799 2.161 1.00 0.00 O ATOM 97 CB SER A 7 6.895 8.021 1.041 1.00 0.00 C ATOM 98 OG SER A 7 7.904 9.021 0.963 1.00 0.00 O ATOM 0 H SER A 7 6.722 5.979 -1.083 1.00 0.00 H new ATOM 0 HA SER A 7 8.529 6.616 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.093 8.240 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.451 8.012 2.036 1.00 0.00 H new ATOM 0 HG SER A 7 8.632 8.707 0.387 1.00 0.00 H new ATOM 104 N ILE A 8 7.009 4.310 1.013 1.00 0.00 N ATOM 105 CA ILE A 8 6.295 3.145 1.529 1.00 0.00 C ATOM 106 C ILE A 8 7.273 2.124 2.084 1.00 0.00 C ATOM 107 O ILE A 8 8.203 1.696 1.401 1.00 0.00 O ATOM 108 CB ILE A 8 5.491 2.495 0.396 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.559 3.532 -0.269 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.678 1.322 0.957 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.264 3.701 0.519 1.00 0.00 C ATOM 0 H ILE A 8 7.759 4.085 0.359 1.00 0.00 H new ATOM 0 HA ILE A 8 5.627 3.472 2.326 1.00 0.00 H new ATOM 0 HB ILE A 8 6.178 2.123 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.071 4.491 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.329 3.217 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.106 0.859 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.354 0.586 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.996 1.687 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.631 4.437 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.740 2.746 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.494 4.040 1.529 1.00 0.00 H new ATOM 123 N HIS A 9 7.033 1.723 3.322 1.00 0.00 N ATOM 124 CA HIS A 9 7.859 0.728 3.998 1.00 0.00 C ATOM 125 C HIS A 9 6.982 -0.439 4.429 1.00 0.00 C ATOM 126 O HIS A 9 6.042 -0.261 5.202 1.00 0.00 O ATOM 127 CB HIS A 9 8.527 1.352 5.226 1.00 0.00 C ATOM 128 CG HIS A 9 9.671 2.231 4.800 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.921 1.715 4.494 1.00 0.00 N ATOM 130 CD2 HIS A 9 9.779 3.592 4.644 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.720 2.749 4.176 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.074 3.918 4.251 1.00 0.00 N ATOM 0 H HIS A 9 6.262 2.076 3.889 1.00 0.00 H new ATOM 0 HA HIS A 9 8.633 0.374 3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.799 1.936 5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.889 0.568 5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.980 4.301 4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.758 2.648 3.894 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.449 4.847 4.061 1.00 0.00 H new ATOM 140 N GLY A 10 7.278 -1.633 3.915 1.00 0.00 N ATOM 141 CA GLY A 10 6.488 -2.814 4.250 1.00 0.00 C ATOM 142 C GLY A 10 7.149 -3.638 5.343 1.00 0.00 C ATOM 143 O GLY A 10 8.356 -3.552 5.566 1.00 0.00 O ATOM 0 H GLY A 10 8.051 -1.806 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.494 -2.507 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.356 -3.429 3.360 1.00 0.00 H new ATOM 147 N GLN A 11 6.337 -4.443 6.014 1.00 0.00 N ATOM 148 CA GLN A 11 6.826 -5.297 7.084 1.00 0.00 C ATOM 149 C GLN A 11 5.792 -6.394 7.370 1.00 0.00 C ATOM 150 O GLN A 11 4.602 -6.094 7.479 1.00 0.00 O ATOM 151 CB GLN A 11 7.059 -4.459 8.345 1.00 0.00 C ATOM 152 CG GLN A 11 7.745 -5.310 9.414 1.00 0.00 C ATOM 153 CD GLN A 11 7.885 -4.509 10.706 1.00 0.00 C ATOM 154 OE1 GLN A 11 7.641 -3.302 10.717 1.00 0.00 O ATOM 155 NE2 GLN A 11 8.258 -5.112 11.801 1.00 0.00 N ATOM 0 H GLN A 11 5.336 -4.522 5.835 1.00 0.00 H new ATOM 0 HA GLN A 11 7.767 -5.757 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.675 -3.592 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.109 -4.081 8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.166 -6.215 9.598 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.728 -5.626 9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.460 -6.112 11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.348 -4.584 12.669 1.00 0.00 H new ATOM 164 N PRO A 12 6.184 -7.646 7.483 1.00 0.00 N ATOM 165 CA PRO A 12 5.209 -8.744 7.749 1.00 0.00 C ATOM 166 C PRO A 12 4.601 -8.638 9.150 1.00 0.00 C ATOM 167 O PRO A 12 5.207 -9.064 10.131 1.00 0.00 O ATOM 168 CB PRO A 12 6.038 -10.034 7.589 1.00 0.00 C ATOM 169 CG PRO A 12 7.463 -9.621 7.806 1.00 0.00 C ATOM 170 CD PRO A 12 7.567 -8.156 7.376 1.00 0.00 C ATOM 0 HA PRO A 12 4.357 -8.710 7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.733 -10.789 8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.901 -10.469 6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.745 -9.738 8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.140 -10.245 7.222 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.247 -7.599 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.947 -8.066 6.358 1.00 0.00 H new ATOM 178 N SER A 13 3.400 -8.072 9.233 1.00 0.00 N ATOM 179 CA SER A 13 2.726 -7.922 10.518 1.00 0.00 C ATOM 180 C SER A 13 2.048 -9.229 10.927 1.00 0.00 C ATOM 181 O SER A 13 2.718 -10.238 11.150 1.00 0.00 O ATOM 182 CB SER A 13 1.691 -6.800 10.436 1.00 0.00 C ATOM 183 OG SER A 13 0.662 -7.172 9.529 1.00 0.00 O ATOM 0 H SER A 13 2.878 -7.713 8.434 1.00 0.00 H new ATOM 0 HA SER A 13 3.471 -7.668 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.269 -6.607 11.422 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.166 -5.876 10.106 1.00 0.00 H new ATOM 0 HG SER A 13 1.029 -7.771 8.846 1.00 0.00 H new ATOM 189 N SER A 14 0.721 -9.207 11.032 1.00 0.00 N ATOM 190 CA SER A 14 -0.025 -10.401 11.425 1.00 0.00 C ATOM 191 C SER A 14 -0.226 -11.336 10.235 1.00 0.00 C ATOM 192 O SER A 14 -0.947 -11.016 9.292 1.00 0.00 O ATOM 193 CB SER A 14 -1.384 -10.001 12.001 1.00 0.00 C ATOM 194 OG SER A 14 -2.169 -9.395 10.981 1.00 0.00 O ATOM 0 H SER A 14 0.145 -8.385 10.853 1.00 0.00 H new ATOM 0 HA SER A 14 0.552 -10.928 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.896 -10.878 12.397 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.250 -9.308 12.832 1.00 0.00 H new ATOM 0 HG SER A 14 -1.873 -9.718 10.105 1.00 0.00 H new ATOM 200 N GLY A 15 0.417 -12.497 10.298 1.00 0.00 N ATOM 201 CA GLY A 15 0.313 -13.490 9.235 1.00 0.00 C ATOM 202 C GLY A 15 0.874 -12.958 7.922 1.00 0.00 C ATOM 203 O GLY A 15 1.960 -12.383 7.889 1.00 0.00 O ATOM 0 H GLY A 15 1.017 -12.774 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.852 -14.392 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.731 -13.772 9.099 1.00 0.00 H new ATOM 207 N LYS A 16 0.126 -13.163 6.841 1.00 0.00 N ATOM 208 CA LYS A 16 0.562 -12.711 5.526 1.00 0.00 C ATOM 209 C LYS A 16 0.317 -11.213 5.384 1.00 0.00 C ATOM 210 O LYS A 16 0.778 -10.586 4.429 1.00 0.00 O ATOM 211 CB LYS A 16 -0.208 -13.458 4.420 1.00 0.00 C ATOM 212 CG LYS A 16 -0.620 -14.848 4.907 1.00 0.00 C ATOM 213 CD LYS A 16 -1.242 -15.613 3.743 1.00 0.00 C ATOM 214 CE LYS A 16 -1.768 -16.959 4.233 1.00 0.00 C ATOM 215 NZ LYS A 16 -2.358 -17.709 3.087 1.00 0.00 N ATOM 0 H LYS A 16 -0.778 -13.636 6.850 1.00 0.00 H new ATOM 0 HA LYS A 16 1.627 -12.919 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.092 -12.888 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.415 -13.547 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.247 -15.385 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.333 -14.764 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.054 -15.032 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.501 -15.765 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.959 -17.536 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.519 -16.808 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.717 -18.627 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.140 -17.159 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.629 -17.865 2.362 1.00 0.00 H new ATOM 229 N SER A 17 -0.428 -10.653 6.325 1.00 0.00 N ATOM 230 CA SER A 17 -0.748 -9.236 6.278 1.00 0.00 C ATOM 231 C SER A 17 0.528 -8.403 6.332 1.00 0.00 C ATOM 232 O SER A 17 1.429 -8.682 7.122 1.00 0.00 O ATOM 233 CB SER A 17 -1.667 -8.876 7.443 1.00 0.00 C ATOM 234 OG SER A 17 -2.648 -9.896 7.588 1.00 0.00 O ATOM 0 H SER A 17 -0.819 -11.153 7.123 1.00 0.00 H new ATOM 0 HA SER A 17 -1.261 -9.019 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.089 -8.775 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.147 -7.914 7.261 1.00 0.00 H new ATOM 0 HG SER A 17 -2.340 -10.555 8.245 1.00 0.00 H new ATOM 240 N PHE A 18 0.606 -7.386 5.469 1.00 0.00 N ATOM 241 CA PHE A 18 1.786 -6.516 5.402 1.00 0.00 C ATOM 242 C PHE A 18 1.431 -5.099 5.837 1.00 0.00 C ATOM 243 O PHE A 18 0.367 -4.578 5.497 1.00 0.00 O ATOM 244 CB PHE A 18 2.343 -6.510 3.950 1.00 0.00 C ATOM 245 CG PHE A 18 3.807 -6.920 3.935 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.163 -8.255 4.179 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.801 -5.968 3.676 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.514 -8.629 4.167 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.147 -6.348 3.664 1.00 0.00 C ATOM 250 CZ PHE A 18 6.502 -7.669 3.908 1.00 0.00 C ATOM 0 H PHE A 18 -0.132 -7.144 4.808 1.00 0.00 H new ATOM 0 HA PHE A 18 2.549 -6.899 6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.763 -7.193 3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.234 -5.515 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.399 -8.992 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.528 -4.941 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.793 -9.655 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.912 -5.613 3.465 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.543 -7.957 3.898 1.00 0.00 H new ATOM 260 N LYS A 19 2.341 -4.478 6.579 1.00 0.00 N ATOM 261 CA LYS A 19 2.142 -3.114 7.050 1.00 0.00 C ATOM 262 C LYS A 19 2.898 -2.145 6.150 1.00 0.00 C ATOM 263 O LYS A 19 4.084 -1.897 6.363 1.00 0.00 O ATOM 264 CB LYS A 19 2.682 -2.963 8.475 1.00 0.00 C ATOM 265 CG LYS A 19 2.282 -1.577 9.050 1.00 0.00 C ATOM 266 CD LYS A 19 3.438 -0.981 9.859 1.00 0.00 C ATOM 267 CE LYS A 19 3.058 0.428 10.314 1.00 0.00 C ATOM 268 NZ LYS A 19 4.203 1.035 11.051 1.00 0.00 N ATOM 0 H LYS A 19 3.224 -4.899 6.867 1.00 0.00 H new ATOM 0 HA LYS A 19 1.074 -2.896 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.286 -3.757 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.767 -3.066 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.013 -0.903 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.401 -1.680 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.655 -1.609 10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.343 -0.949 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.799 1.043 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.177 0.390 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.947 1.994 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.430 0.451 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.032 1.084 10.425 1.00 0.00 H new ATOM 282 N LEU A 20 2.214 -1.583 5.156 1.00 0.00 N ATOM 283 CA LEU A 20 2.856 -0.627 4.258 1.00 0.00 C ATOM 284 C LEU A 20 2.643 0.771 4.821 1.00 0.00 C ATOM 285 O LEU A 20 1.635 1.420 4.542 1.00 0.00 O ATOM 286 CB LEU A 20 2.279 -0.721 2.830 1.00 0.00 C ATOM 287 CG LEU A 20 2.000 -2.190 2.447 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.067 -2.233 1.241 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.309 -2.882 2.072 1.00 0.00 C ATOM 0 H LEU A 20 1.232 -1.769 4.954 1.00 0.00 H new ATOM 0 HA LEU A 20 3.920 -0.853 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.357 -0.143 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.980 -0.282 2.120 1.00 0.00 H new ATOM 0 HG LEU A 20 1.541 -2.697 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.870 -3.270 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.128 -1.738 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.535 -1.721 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.108 -3.919 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.763 -2.368 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.992 -2.854 2.921 1.00 0.00 H new ATOM 301 N SER A 21 3.585 1.205 5.644 1.00 0.00 N ATOM 302 CA SER A 21 3.496 2.505 6.283 1.00 0.00 C ATOM 303 C SER A 21 3.602 3.627 5.264 1.00 0.00 C ATOM 304 O SER A 21 4.583 3.715 4.525 1.00 0.00 O ATOM 305 CB SER A 21 4.627 2.646 7.301 1.00 0.00 C ATOM 306 OG SER A 21 4.588 3.946 7.873 1.00 0.00 O ATOM 0 H SER A 21 4.421 0.673 5.884 1.00 0.00 H new ATOM 0 HA SER A 21 2.527 2.577 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.526 1.891 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.589 2.478 6.817 1.00 0.00 H new ATOM 0 HG SER A 21 5.312 4.037 8.527 1.00 0.00 H new ATOM 312 N ILE A 22 2.604 4.510 5.246 1.00 0.00 N ATOM 313 CA ILE A 22 2.629 5.640 4.333 1.00 0.00 C ATOM 314 C ILE A 22 3.381 6.773 5.029 1.00 0.00 C ATOM 315 O ILE A 22 2.903 7.304 6.032 1.00 0.00 O ATOM 316 CB ILE A 22 1.191 6.109 3.991 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.178 4.956 4.087 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.159 6.671 2.573 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.466 3.868 3.052 1.00 0.00 C ATOM 0 H ILE A 22 1.781 4.462 5.846 1.00 0.00 H new ATOM 0 HA ILE A 22 3.117 5.353 3.402 1.00 0.00 H new ATOM 0 HB ILE A 22 0.914 6.875 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.210 4.525 5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.830 5.343 3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.148 7.000 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.842 7.517 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.464 5.898 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.270 3.069 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.409 4.294 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.465 3.464 3.217 1.00 0.00 H new ATOM 331 N THR A 23 4.554 7.145 4.515 1.00 0.00 N ATOM 332 CA THR A 23 5.325 8.223 5.142 1.00 0.00 C ATOM 333 C THR A 23 5.064 9.535 4.426 1.00 0.00 C ATOM 334 O THR A 23 5.413 9.709 3.266 1.00 0.00 O ATOM 335 CB THR A 23 6.823 7.881 5.135 1.00 0.00 C ATOM 336 OG1 THR A 23 7.066 6.849 6.079 1.00 0.00 O ATOM 337 CG2 THR A 23 7.649 9.117 5.511 1.00 0.00 C ATOM 0 H THR A 23 4.984 6.730 3.688 1.00 0.00 H new ATOM 0 HA THR A 23 5.007 8.330 6.179 1.00 0.00 H new ATOM 0 HB THR A 23 7.112 7.552 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.020 6.624 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.709 8.863 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.461 9.913 4.790 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.365 9.455 6.507 1.00 0.00 H new ATOM 345 N LYS A 24 4.435 10.454 5.145 1.00 0.00 N ATOM 346 CA LYS A 24 4.099 11.759 4.603 1.00 0.00 C ATOM 347 C LYS A 24 5.209 12.299 3.716 1.00 0.00 C ATOM 348 O LYS A 24 6.258 12.726 4.197 1.00 0.00 O ATOM 349 CB LYS A 24 3.843 12.734 5.755 1.00 0.00 C ATOM 350 CG LYS A 24 2.584 12.302 6.553 1.00 0.00 C ATOM 351 CD LYS A 24 2.812 12.491 8.061 1.00 0.00 C ATOM 352 CE LYS A 24 3.609 11.303 8.622 1.00 0.00 C ATOM 353 NZ LYS A 24 3.865 11.522 10.073 1.00 0.00 N ATOM 0 H LYS A 24 4.146 10.316 6.113 1.00 0.00 H new ATOM 0 HA LYS A 24 3.203 11.653 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.709 12.763 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.707 13.742 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.724 12.890 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.353 11.258 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.352 13.420 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.854 12.573 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.054 10.376 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.553 11.198 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.404 10.719 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.411 12.398 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.959 11.602 10.577 1.00 0.00 H new ATOM 367 N GLN A 25 4.951 12.300 2.410 1.00 0.00 N ATOM 368 CA GLN A 25 5.911 12.819 1.435 1.00 0.00 C ATOM 369 C GLN A 25 5.509 14.253 1.090 1.00 0.00 C ATOM 370 O GLN A 25 4.330 14.596 1.159 1.00 0.00 O ATOM 371 CB GLN A 25 5.938 11.939 0.151 1.00 0.00 C ATOM 372 CG GLN A 25 4.880 10.832 0.229 1.00 0.00 C ATOM 373 CD GLN A 25 4.875 10.034 -1.069 1.00 0.00 C ATOM 374 OE1 GLN A 25 5.603 10.368 -2.005 1.00 0.00 O ATOM 375 NE2 GLN A 25 4.091 8.997 -1.186 1.00 0.00 N ATOM 0 H GLN A 25 4.086 11.947 2.001 1.00 0.00 H new ATOM 0 HA GLN A 25 6.914 12.799 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.757 12.561 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.926 11.496 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.091 10.173 1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.896 11.268 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.489 8.722 -0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.080 8.461 -2.054 1.00 0.00 H new ATOM 384 N ASP A 26 6.482 15.086 0.728 1.00 0.00 N ATOM 385 CA ASP A 26 6.181 16.477 0.390 1.00 0.00 C ATOM 386 C ASP A 26 4.932 16.536 -0.484 1.00 0.00 C ATOM 387 O ASP A 26 4.992 16.320 -1.693 1.00 0.00 O ATOM 388 CB ASP A 26 7.368 17.107 -0.340 1.00 0.00 C ATOM 389 CG ASP A 26 8.544 17.248 0.620 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.349 17.008 1.800 1.00 0.00 O ATOM 391 OD2 ASP A 26 9.621 17.586 0.161 1.00 0.00 O ATOM 0 H ASP A 26 7.467 14.830 0.661 1.00 0.00 H new ATOM 0 HA ASP A 26 5.998 17.037 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.653 16.489 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.088 18.084 -0.734 1.00 0.00 H new ATOM 396 N ASP A 27 3.797 16.801 0.153 1.00 0.00 N ATOM 397 CA ASP A 27 2.520 16.854 -0.548 1.00 0.00 C ATOM 398 C ASP A 27 2.499 17.971 -1.582 1.00 0.00 C ATOM 399 O ASP A 27 3.213 18.965 -1.459 1.00 0.00 O ATOM 400 CB ASP A 27 1.381 17.039 0.467 1.00 0.00 C ATOM 401 CG ASP A 27 1.538 16.033 1.599 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.961 14.921 1.323 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.234 16.384 2.727 1.00 0.00 O ATOM 0 H ASP A 27 3.735 16.983 1.155 1.00 0.00 H new ATOM 0 HA ASP A 27 2.381 15.913 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.395 18.054 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.417 16.902 -0.024 1.00 0.00 H new ATOM 408 N GLY A 28 1.685 17.772 -2.613 1.00 0.00 N ATOM 409 CA GLY A 28 1.565 18.737 -3.699 1.00 0.00 C ATOM 410 C GLY A 28 1.601 20.174 -3.186 1.00 0.00 C ATOM 411 O GLY A 28 1.902 21.102 -3.936 1.00 0.00 O ATOM 0 H GLY A 28 1.096 16.946 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.376 18.585 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.632 18.566 -4.236 1.00 0.00 H new ATOM 415 N GLY A 29 1.296 20.354 -1.901 1.00 0.00 N ATOM 416 CA GLY A 29 1.304 21.685 -1.292 1.00 0.00 C ATOM 417 C GLY A 29 0.072 21.901 -0.420 1.00 0.00 C ATOM 418 O GLY A 29 -0.058 22.936 0.235 1.00 0.00 O ATOM 0 H GLY A 29 1.041 19.599 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.204 21.807 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.338 22.445 -2.073 1.00 0.00 H new ATOM 422 N ALA A 30 -0.825 20.915 -0.398 1.00 0.00 N ATOM 423 CA ALA A 30 -2.041 21.003 0.415 1.00 0.00 C ATOM 424 C ALA A 30 -2.182 19.733 1.250 1.00 0.00 C ATOM 425 O ALA A 30 -1.780 18.658 0.802 1.00 0.00 O ATOM 426 CB ALA A 30 -3.268 21.181 -0.490 1.00 0.00 C ATOM 0 H ALA A 30 -0.735 20.050 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.972 21.865 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.167 21.245 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.160 22.096 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.349 20.328 -1.164 1.00 0.00 H new ATOM 432 N PRO A 31 -2.723 19.817 2.442 1.00 0.00 N ATOM 433 CA PRO A 31 -2.878 18.619 3.306 1.00 0.00 C ATOM 434 C PRO A 31 -3.837 17.613 2.683 1.00 0.00 C ATOM 435 O PRO A 31 -4.867 17.983 2.120 1.00 0.00 O ATOM 436 CB PRO A 31 -3.417 19.179 4.633 1.00 0.00 C ATOM 437 CG PRO A 31 -4.054 20.484 4.275 1.00 0.00 C ATOM 438 CD PRO A 31 -3.251 21.033 3.091 1.00 0.00 C ATOM 0 HA PRO A 31 -1.944 18.075 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.139 18.498 5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.614 19.318 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.101 20.347 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.029 21.175 5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.879 21.610 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.449 21.693 3.421 1.00 0.00 H new ATOM 446 N ILE A 32 -3.478 16.344 2.773 1.00 0.00 N ATOM 447 CA ILE A 32 -4.292 15.286 2.196 1.00 0.00 C ATOM 448 C ILE A 32 -5.472 14.909 3.087 1.00 0.00 C ATOM 449 O ILE A 32 -5.311 14.575 4.261 1.00 0.00 O ATOM 450 CB ILE A 32 -3.396 14.072 1.941 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.369 14.434 0.825 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.261 12.866 1.519 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.944 14.140 1.291 1.00 0.00 C ATOM 0 H ILE A 32 -2.630 16.021 3.239 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.720 15.646 1.260 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.858 13.803 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.588 13.863 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.462 15.488 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.619 12.004 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.970 12.631 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.806 13.110 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.241 14.399 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.723 14.731 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.850 13.080 1.527 1.00 0.00 H new ATOM 465 N LEU A 33 -6.659 14.944 2.492 1.00 0.00 N ATOM 466 CA LEU A 33 -7.879 14.584 3.199 1.00 0.00 C ATOM 467 C LEU A 33 -7.885 13.091 3.507 1.00 0.00 C ATOM 468 O LEU A 33 -8.291 12.668 4.590 1.00 0.00 O ATOM 469 CB LEU A 33 -9.098 14.923 2.337 1.00 0.00 C ATOM 470 CG LEU A 33 -9.020 16.378 1.859 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.204 16.663 0.928 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.084 17.332 3.058 1.00 0.00 C ATOM 0 H LEU A 33 -6.801 15.219 1.520 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.921 15.146 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.144 14.253 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.012 14.769 2.910 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.079 16.531 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.156 17.696 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.162 15.992 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.138 16.504 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.028 18.362 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.022 17.182 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.248 17.131 3.728 1.00 0.00 H new ATOM 484 N GLU A 34 -7.438 12.296 2.534 1.00 0.00 N ATOM 485 CA GLU A 34 -7.399 10.846 2.689 1.00 0.00 C ATOM 486 C GLU A 34 -6.454 10.221 1.678 1.00 0.00 C ATOM 487 O GLU A 34 -6.033 10.865 0.715 1.00 0.00 O ATOM 488 CB GLU A 34 -8.791 10.253 2.467 1.00 0.00 C ATOM 489 CG GLU A 34 -9.395 10.839 1.189 1.00 0.00 C ATOM 490 CD GLU A 34 -10.696 10.121 0.848 1.00 0.00 C ATOM 491 OE1 GLU A 34 -10.670 8.904 0.761 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.696 10.794 0.674 1.00 0.00 O ATOM 0 H GLU A 34 -7.099 12.633 1.633 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.052 10.632 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.728 9.168 2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.433 10.474 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.582 11.905 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.689 10.740 0.365 1.00 0.00 H new ATOM 499 N TYR A 35 -6.152 8.942 1.886 1.00 0.00 N ATOM 500 CA TYR A 35 -5.282 8.201 0.977 1.00 0.00 C ATOM 501 C TYR A 35 -6.067 7.093 0.282 1.00 0.00 C ATOM 502 O TYR A 35 -6.572 6.175 0.923 1.00 0.00 O ATOM 503 CB TYR A 35 -4.122 7.570 1.763 1.00 0.00 C ATOM 504 CG TYR A 35 -3.034 8.595 2.024 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.311 9.749 2.760 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.736 8.369 1.544 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.291 10.675 3.021 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.721 9.295 1.800 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.996 10.447 2.539 1.00 0.00 C ATOM 510 OH TYR A 35 0.010 11.351 2.805 1.00 0.00 O ATOM 0 H TYR A 35 -6.497 8.397 2.676 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.891 8.893 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.490 7.173 2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.711 6.730 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.310 9.928 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.520 7.477 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.504 11.565 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.277 9.119 1.426 1.00 0.00 H new ATOM 0 HH TYR A 35 0.845 11.040 2.398 1.00 0.00 H new ATOM 520 N ILE A 36 -6.128 7.166 -1.039 1.00 0.00 N ATOM 521 CA ILE A 36 -6.801 6.149 -1.831 1.00 0.00 C ATOM 522 C ILE A 36 -5.749 5.168 -2.317 1.00 0.00 C ATOM 523 O ILE A 36 -4.887 5.512 -3.127 1.00 0.00 O ATOM 524 CB ILE A 36 -7.499 6.798 -3.020 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.507 7.823 -2.500 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.216 5.726 -3.850 1.00 0.00 C ATOM 527 CD1 ILE A 36 -9.034 8.662 -3.663 1.00 0.00 C ATOM 0 H ILE A 36 -5.718 7.922 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.552 5.633 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.766 7.296 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.333 7.315 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.035 8.468 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.713 6.195 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.489 4.999 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.956 5.220 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.752 9.392 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.204 9.182 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.522 8.012 -4.389 1.00 0.00 H new ATOM 539 N VAL A 37 -5.802 3.958 -1.782 1.00 0.00 N ATOM 540 CA VAL A 37 -4.832 2.924 -2.114 1.00 0.00 C ATOM 541 C VAL A 37 -5.474 1.810 -2.921 1.00 0.00 C ATOM 542 O VAL A 37 -6.463 1.212 -2.498 1.00 0.00 O ATOM 543 CB VAL A 37 -4.275 2.354 -0.810 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.188 1.311 -1.114 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.708 3.501 0.052 1.00 0.00 C ATOM 0 H VAL A 37 -6.512 3.666 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.036 3.360 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.074 1.861 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.797 0.910 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.616 0.501 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.379 1.781 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.311 3.095 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.911 4.006 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.502 4.214 0.277 1.00 0.00 H new ATOM 555 N LYS A 38 -4.890 1.517 -4.081 1.00 0.00 N ATOM 556 CA LYS A 38 -5.393 0.450 -4.942 1.00 0.00 C ATOM 557 C LYS A 38 -4.300 -0.586 -5.145 1.00 0.00 C ATOM 558 O LYS A 38 -3.175 -0.244 -5.496 1.00 0.00 O ATOM 559 CB LYS A 38 -5.828 1.009 -6.297 1.00 0.00 C ATOM 560 CG LYS A 38 -7.051 1.916 -6.111 1.00 0.00 C ATOM 561 CD LYS A 38 -7.483 2.504 -7.469 1.00 0.00 C ATOM 562 CE LYS A 38 -8.432 1.536 -8.189 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.646 2.000 -9.590 1.00 0.00 N ATOM 0 H LYS A 38 -4.070 2.002 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.258 -0.010 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.011 1.571 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.068 0.193 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.872 1.348 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.814 2.721 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.977 3.464 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.605 2.692 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.012 0.530 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.385 1.484 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.289 1.345 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.064 2.952 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.734 2.027 -10.090 1.00 0.00 H new ATOM 577 N TYR A 39 -4.627 -1.852 -4.912 1.00 0.00 N ATOM 578 CA TYR A 39 -3.643 -2.925 -5.059 1.00 0.00 C ATOM 579 C TYR A 39 -4.243 -4.114 -5.798 1.00 0.00 C ATOM 580 O TYR A 39 -5.448 -4.354 -5.728 1.00 0.00 O ATOM 581 CB TYR A 39 -3.173 -3.363 -3.671 1.00 0.00 C ATOM 582 CG TYR A 39 -4.304 -4.033 -2.919 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.227 -3.265 -2.200 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.421 -5.431 -2.932 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.266 -3.888 -1.495 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.458 -6.057 -2.228 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.382 -5.286 -1.509 1.00 0.00 C ATOM 588 OH TYR A 39 -7.405 -5.899 -0.817 1.00 0.00 O ATOM 0 H TYR A 39 -5.555 -2.162 -4.623 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.799 -2.554 -5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.332 -4.050 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.817 -2.498 -3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.138 -2.189 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.710 -6.026 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.977 -3.292 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.546 -7.133 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.342 -6.870 -0.932 1.00 0.00 H new ATOM 598 N ARG A 40 -3.393 -4.867 -6.506 1.00 0.00 N ATOM 599 CA ARG A 40 -3.860 -6.035 -7.253 1.00 0.00 C ATOM 600 C ARG A 40 -2.820 -7.155 -7.259 1.00 0.00 C ATOM 601 O ARG A 40 -1.760 -7.029 -6.659 1.00 0.00 O ATOM 602 CB ARG A 40 -4.228 -5.650 -8.687 1.00 0.00 C ATOM 603 CG ARG A 40 -2.977 -5.281 -9.523 1.00 0.00 C ATOM 604 CD ARG A 40 -3.227 -5.655 -10.986 1.00 0.00 C ATOM 605 NE ARG A 40 -3.054 -7.097 -11.154 1.00 0.00 N ATOM 606 CZ ARG A 40 -4.087 -7.946 -11.185 1.00 0.00 C ATOM 607 NH1 ARG A 40 -5.320 -7.506 -11.224 1.00 0.00 N ATOM 608 NH2 ARG A 40 -3.863 -9.230 -11.203 1.00 0.00 N ATOM 0 H ARG A 40 -2.391 -4.690 -6.576 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.751 -6.407 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.752 -6.479 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.917 -4.805 -8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.768 -4.215 -9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.102 -5.809 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.234 -5.361 -11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.535 -5.116 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.110 -7.470 -11.251 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.503 -6.503 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.097 -8.167 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.905 -9.581 -11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.645 -9.884 -11.227 1.00 0.00 H new ATOM 622 N SER A 41 -3.140 -8.245 -7.954 1.00 0.00 N ATOM 623 CA SER A 41 -2.239 -9.402 -8.035 1.00 0.00 C ATOM 624 C SER A 41 -1.291 -9.303 -9.230 1.00 0.00 C ATOM 625 O SER A 41 -1.654 -8.777 -10.276 1.00 0.00 O ATOM 626 CB SER A 41 -3.068 -10.681 -8.153 1.00 0.00 C ATOM 627 OG SER A 41 -3.978 -10.751 -7.064 1.00 0.00 O ATOM 0 H SER A 41 -4.013 -8.355 -8.469 1.00 0.00 H new ATOM 0 HA SER A 41 -1.635 -9.420 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.612 -10.690 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.414 -11.553 -8.153 1.00 0.00 H new ATOM 0 HG SER A 41 -3.785 -11.548 -6.527 1.00 0.00 H new ATOM 633 N LYS A 42 -0.070 -9.817 -9.070 1.00 0.00 N ATOM 634 CA LYS A 42 0.910 -9.773 -10.158 1.00 0.00 C ATOM 635 C LYS A 42 0.664 -10.865 -11.201 1.00 0.00 C ATOM 636 O LYS A 42 1.169 -10.774 -12.321 1.00 0.00 O ATOM 637 CB LYS A 42 2.332 -9.926 -9.609 1.00 0.00 C ATOM 638 CG LYS A 42 2.737 -8.655 -8.867 1.00 0.00 C ATOM 639 CD LYS A 42 4.213 -8.728 -8.485 1.00 0.00 C ATOM 640 CE LYS A 42 4.628 -7.425 -7.805 1.00 0.00 C ATOM 641 NZ LYS A 42 6.073 -7.494 -7.446 1.00 0.00 N ATOM 0 H LYS A 42 0.261 -10.261 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 42 0.797 -8.802 -10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.382 -10.783 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.028 -10.120 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.557 -7.783 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.126 -8.535 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.385 -9.571 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.822 -8.897 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.447 -6.581 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.027 -7.261 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.318 -6.688 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.263 -8.382 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.648 -7.461 -8.312 1.00 0.00 H new ATOM 655 N ASP A 43 -0.096 -11.898 -10.846 1.00 0.00 N ATOM 656 CA ASP A 43 -0.357 -12.975 -11.798 1.00 0.00 C ATOM 657 C ASP A 43 -1.117 -12.422 -12.997 1.00 0.00 C ATOM 658 O ASP A 43 -0.741 -12.651 -14.146 1.00 0.00 O ATOM 659 CB ASP A 43 -1.179 -14.092 -11.136 1.00 0.00 C ATOM 660 CG ASP A 43 -0.268 -15.034 -10.348 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.927 -14.792 -10.318 1.00 0.00 O ATOM 662 OD2 ASP A 43 -0.785 -15.976 -9.772 1.00 0.00 O ATOM 0 H ASP A 43 -0.532 -12.012 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 43 0.595 -13.391 -12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.925 -13.657 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.720 -14.653 -11.898 1.00 0.00 H new ATOM 667 N LYS A 44 -2.189 -11.683 -12.711 1.00 0.00 N ATOM 668 CA LYS A 44 -3.016 -11.081 -13.753 1.00 0.00 C ATOM 669 C LYS A 44 -2.862 -9.576 -13.766 1.00 0.00 C ATOM 670 O LYS A 44 -1.925 -9.021 -13.192 1.00 0.00 O ATOM 671 CB LYS A 44 -4.489 -11.410 -13.515 1.00 0.00 C ATOM 672 CG LYS A 44 -4.676 -12.912 -13.332 1.00 0.00 C ATOM 673 CD LYS A 44 -4.380 -13.644 -14.638 1.00 0.00 C ATOM 674 CE LYS A 44 -4.640 -15.114 -14.410 1.00 0.00 C ATOM 675 NZ LYS A 44 -4.341 -15.877 -15.654 1.00 0.00 N ATOM 0 H LYS A 44 -2.505 -11.487 -11.761 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.687 -11.489 -14.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.848 -10.882 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.086 -11.063 -14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.014 -13.275 -12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.697 -13.122 -13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.012 -13.264 -15.441 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.346 -13.481 -14.942 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.021 -15.480 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.679 -15.268 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.521 -16.888 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.949 -15.536 -16.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.343 -15.740 -15.914 1.00 0.00 H new ATOM 689 N GLU A 45 -3.801 -8.935 -14.443 1.00 0.00 N ATOM 690 CA GLU A 45 -3.802 -7.483 -14.569 1.00 0.00 C ATOM 691 C GLU A 45 -5.067 -7.018 -15.284 1.00 0.00 C ATOM 692 O GLU A 45 -5.033 -6.666 -16.465 1.00 0.00 O ATOM 693 CB GLU A 45 -2.571 -7.044 -15.367 1.00 0.00 C ATOM 694 CG GLU A 45 -2.486 -5.519 -15.398 1.00 0.00 C ATOM 695 CD GLU A 45 -1.262 -5.089 -16.199 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.728 -5.921 -16.917 1.00 0.00 O ATOM 697 OE2 GLU A 45 -0.870 -3.941 -16.081 1.00 0.00 O ATOM 0 H GLU A 45 -4.577 -9.398 -14.916 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.775 -7.037 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.669 -7.458 -14.917 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.628 -7.434 -16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.389 -5.104 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.424 -5.128 -14.383 1.00 0.00 H new ATOM 704 N ASP A 46 -6.184 -7.028 -14.564 1.00 0.00 N ATOM 705 CA ASP A 46 -7.461 -6.612 -15.141 1.00 0.00 C ATOM 706 C ASP A 46 -8.439 -6.112 -14.074 1.00 0.00 C ATOM 707 O ASP A 46 -9.495 -5.572 -14.407 1.00 0.00 O ATOM 708 CB ASP A 46 -8.084 -7.785 -15.898 1.00 0.00 C ATOM 709 CG ASP A 46 -8.243 -8.982 -14.967 1.00 0.00 C ATOM 710 OD1 ASP A 46 -8.104 -8.799 -13.767 1.00 0.00 O ATOM 711 OD2 ASP A 46 -8.499 -10.065 -15.467 1.00 0.00 O ATOM 0 H ASP A 46 -6.233 -7.317 -13.587 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.264 -5.784 -15.822 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.055 -7.495 -16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.456 -8.055 -16.747 1.00 0.00 H new ATOM 716 N GLN A 47 -8.099 -6.286 -12.793 1.00 0.00 N ATOM 717 CA GLN A 47 -8.976 -5.837 -11.707 1.00 0.00 C ATOM 718 C GLN A 47 -8.167 -5.268 -10.548 1.00 0.00 C ATOM 719 O GLN A 47 -7.232 -5.900 -10.061 1.00 0.00 O ATOM 720 CB GLN A 47 -9.824 -7.007 -11.203 1.00 0.00 C ATOM 721 CG GLN A 47 -10.838 -7.410 -12.274 1.00 0.00 C ATOM 722 CD GLN A 47 -11.697 -8.562 -11.764 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.579 -8.959 -10.605 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.561 -9.124 -12.564 1.00 0.00 N ATOM 0 H GLN A 47 -7.233 -6.729 -12.485 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.623 -5.053 -12.100 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.183 -7.854 -10.959 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.342 -6.725 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.469 -6.559 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.319 -7.707 -13.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.657 -8.793 -13.524 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.140 -9.894 -12.229 1.00 0.00 H new ATOM 733 N TRP A 48 -8.540 -4.063 -10.105 1.00 0.00 N ATOM 734 CA TRP A 48 -7.849 -3.405 -8.992 1.00 0.00 C ATOM 735 C TRP A 48 -8.782 -3.219 -7.798 1.00 0.00 C ATOM 736 O TRP A 48 -9.900 -2.723 -7.935 1.00 0.00 O ATOM 737 CB TRP A 48 -7.311 -2.043 -9.446 1.00 0.00 C ATOM 738 CG TRP A 48 -6.106 -2.236 -10.315 1.00 0.00 C ATOM 739 CD1 TRP A 48 -6.124 -2.647 -11.605 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.712 -2.025 -9.978 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.823 -2.701 -12.074 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.915 -2.327 -11.104 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.066 -1.605 -8.803 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.523 -2.212 -11.071 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.670 -1.490 -8.760 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.898 -1.793 -9.892 1.00 0.00 C ATOM 0 H TRP A 48 -9.313 -3.526 -10.498 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.020 -4.041 -8.682 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.082 -1.501 -9.994 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.051 -1.437 -8.578 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.008 -2.892 -12.174 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.567 -2.983 -13.020 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.650 -1.369 -7.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.936 -2.444 -11.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.186 -1.166 -7.851 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.822 -1.703 -9.853 1.00 0.00 H new ATOM 757 N LEU A 49 -8.294 -3.614 -6.625 1.00 0.00 N ATOM 758 CA LEU A 49 -9.061 -3.486 -5.385 1.00 0.00 C ATOM 759 C LEU A 49 -8.834 -2.104 -4.789 1.00 0.00 C ATOM 760 O LEU A 49 -7.869 -1.437 -5.143 1.00 0.00 O ATOM 761 CB LEU A 49 -8.633 -4.565 -4.381 1.00 0.00 C ATOM 762 CG LEU A 49 -8.881 -5.959 -4.977 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.396 -7.031 -3.991 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.385 -6.158 -5.256 1.00 0.00 C ATOM 0 H LEU A 49 -7.369 -4.027 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.120 -3.617 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.578 -4.447 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.192 -4.452 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.332 -6.047 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.572 -8.020 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.330 -6.900 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.941 -6.935 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.549 -7.149 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.943 -6.064 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.727 -5.402 -5.963 1.00 0.00 H new ATOM 776 N GLU A 50 -9.734 -1.662 -3.907 1.00 0.00 N ATOM 777 CA GLU A 50 -9.614 -0.331 -3.289 1.00 0.00 C ATOM 778 C GLU A 50 -9.371 -0.434 -1.782 1.00 0.00 C ATOM 779 O GLU A 50 -9.858 -1.350 -1.121 1.00 0.00 O ATOM 780 CB GLU A 50 -10.890 0.475 -3.533 1.00 0.00 C ATOM 781 CG GLU A 50 -11.114 0.670 -5.042 1.00 0.00 C ATOM 782 CD GLU A 50 -11.789 -0.562 -5.640 1.00 0.00 C ATOM 783 OE1 GLU A 50 -11.954 -1.533 -4.920 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.144 -0.510 -6.807 1.00 0.00 O ATOM 0 H GLU A 50 -10.548 -2.197 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.760 0.170 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.744 -0.041 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.816 1.445 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.732 1.551 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.160 0.848 -5.538 1.00 0.00 H new ATOM 791 N LYS A 51 -8.622 0.533 -1.252 1.00 0.00 N ATOM 792 CA LYS A 51 -8.313 0.584 0.177 1.00 0.00 C ATOM 793 C LYS A 51 -8.163 2.057 0.571 1.00 0.00 C ATOM 794 O LYS A 51 -7.262 2.738 0.094 1.00 0.00 O ATOM 795 CB LYS A 51 -7.029 -0.232 0.445 1.00 0.00 C ATOM 796 CG LYS A 51 -6.423 0.051 1.849 1.00 0.00 C ATOM 797 CD LYS A 51 -7.163 -0.742 2.965 1.00 0.00 C ATOM 798 CE LYS A 51 -8.204 0.135 3.678 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.626 -0.538 4.938 1.00 0.00 N ATOM 0 H LYS A 51 -8.216 1.296 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.107 0.144 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.254 -1.295 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.288 0.001 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.367 -0.218 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.480 1.118 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.654 -1.612 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.439 -1.114 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.782 1.116 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.066 0.297 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.331 0.050 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.043 -1.464 4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.799 -0.671 5.555 1.00 0.00 H new ATOM 813 N LYS A 52 -9.070 2.559 1.410 1.00 0.00 N ATOM 814 CA LYS A 52 -9.038 3.971 1.813 1.00 0.00 C ATOM 815 C LYS A 52 -8.391 4.160 3.183 1.00 0.00 C ATOM 816 O LYS A 52 -8.533 3.319 4.071 1.00 0.00 O ATOM 817 CB LYS A 52 -10.466 4.516 1.890 1.00 0.00 C ATOM 818 CG LYS A 52 -11.263 4.175 0.623 1.00 0.00 C ATOM 819 CD LYS A 52 -10.715 4.930 -0.595 1.00 0.00 C ATOM 820 CE LYS A 52 -11.647 4.683 -1.784 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.169 5.449 -2.969 1.00 0.00 N ATOM 0 H LYS A 52 -9.830 2.018 1.822 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.449 4.505 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.970 4.099 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.438 5.597 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.218 3.101 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.313 4.430 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.650 5.997 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.706 4.590 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.680 3.619 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.663 4.985 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.982 5.879 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.516 6.197 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.675 4.807 -3.621 1.00 0.00 H new ATOM 835 N VAL A 53 -7.699 5.291 3.355 1.00 0.00 N ATOM 836 CA VAL A 53 -7.056 5.614 4.633 1.00 0.00 C ATOM 837 C VAL A 53 -7.208 7.101 4.947 1.00 0.00 C ATOM 838 O VAL A 53 -7.461 7.918 4.061 1.00 0.00 O ATOM 839 CB VAL A 53 -5.554 5.225 4.629 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.203 4.455 5.902 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.247 4.363 3.406 1.00 0.00 C ATOM 0 H VAL A 53 -7.570 5.995 2.629 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.555 5.031 5.408 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.956 6.135 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.146 4.188 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.407 5.079 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.805 3.548 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.191 4.092 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.854 3.458 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.477 4.923 2.499 1.00 0.00 H new ATOM 851 N GLN A 54 -7.037 7.427 6.220 1.00 0.00 N ATOM 852 CA GLN A 54 -7.135 8.801 6.687 1.00 0.00 C ATOM 853 C GLN A 54 -5.811 9.521 6.459 1.00 0.00 C ATOM 854 O GLN A 54 -4.746 8.904 6.503 1.00 0.00 O ATOM 855 CB GLN A 54 -7.486 8.798 8.180 1.00 0.00 C ATOM 856 CG GLN A 54 -7.680 10.226 8.689 1.00 0.00 C ATOM 857 CD GLN A 54 -8.893 10.860 8.017 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.767 10.150 7.519 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.004 12.159 7.980 1.00 0.00 N ATOM 0 H GLN A 54 -6.828 6.750 6.954 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.914 9.324 6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.396 8.221 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.692 8.309 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.815 10.220 9.771 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.789 10.818 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.278 12.745 8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.816 12.589 7.538 1.00 0.00 H new ATOM 868 N GLY A 55 -5.879 10.825 6.207 1.00 0.00 N ATOM 869 CA GLY A 55 -4.672 11.607 5.965 1.00 0.00 C ATOM 870 C GLY A 55 -3.830 11.720 7.229 1.00 0.00 C ATOM 871 O GLY A 55 -2.830 12.436 7.260 1.00 0.00 O ATOM 0 H GLY A 55 -6.748 11.358 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.085 11.140 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.944 12.603 5.615 1.00 0.00 H new ATOM 875 N ASN A 56 -4.248 11.014 8.281 1.00 0.00 N ATOM 876 CA ASN A 56 -3.537 11.043 9.562 1.00 0.00 C ATOM 877 C ASN A 56 -3.112 9.640 9.984 1.00 0.00 C ATOM 878 O ASN A 56 -2.299 9.479 10.895 1.00 0.00 O ATOM 879 CB ASN A 56 -4.454 11.636 10.632 1.00 0.00 C ATOM 880 CG ASN A 56 -3.661 11.950 11.896 1.00 0.00 C ATOM 881 OD1 ASN A 56 -2.561 12.500 11.824 1.00 0.00 O ATOM 882 ND2 ASN A 56 -4.157 11.626 13.058 1.00 0.00 N ATOM 0 H ASN A 56 -5.074 10.416 8.272 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.642 11.655 9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.924 12.544 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.256 10.934 10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.634 11.828 13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.068 11.171 13.115 1.00 0.00 H new ATOM 889 N LYS A 57 -3.678 8.624 9.337 1.00 0.00 N ATOM 890 CA LYS A 57 -3.353 7.242 9.681 1.00 0.00 C ATOM 891 C LYS A 57 -1.903 6.908 9.319 1.00 0.00 C ATOM 892 O LYS A 57 -1.158 6.386 10.144 1.00 0.00 O ATOM 893 CB LYS A 57 -4.329 6.297 8.947 1.00 0.00 C ATOM 894 CG LYS A 57 -5.430 5.831 9.917 1.00 0.00 C ATOM 895 CD LYS A 57 -6.500 5.036 9.169 1.00 0.00 C ATOM 896 CE LYS A 57 -7.603 4.628 10.146 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.318 5.848 10.618 1.00 0.00 N ATOM 0 H LYS A 57 -4.355 8.729 8.581 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.458 7.110 10.758 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.775 6.810 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.789 5.436 8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.994 5.215 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.884 6.694 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.918 5.637 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.058 4.151 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.302 3.948 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.175 4.093 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.257 5.583 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.770 6.299 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.427 6.514 9.827 1.00 0.00 H new ATOM 911 N ASP A 58 -1.520 7.227 8.090 1.00 0.00 N ATOM 912 CA ASP A 58 -0.163 6.980 7.614 1.00 0.00 C ATOM 913 C ASP A 58 0.212 5.480 7.686 1.00 0.00 C ATOM 914 O ASP A 58 1.365 5.131 7.943 1.00 0.00 O ATOM 915 CB ASP A 58 0.830 7.879 8.408 1.00 0.00 C ATOM 916 CG ASP A 58 1.611 7.110 9.480 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.065 6.880 10.544 1.00 0.00 O ATOM 918 OD2 ASP A 58 2.753 6.773 9.215 1.00 0.00 O ATOM 0 H ASP A 58 -2.133 7.660 7.400 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.103 7.246 6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.533 8.336 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.277 8.691 8.881 1.00 0.00 H new ATOM 923 N HIS A 59 -0.752 4.591 7.435 1.00 0.00 N ATOM 924 CA HIS A 59 -0.473 3.148 7.476 1.00 0.00 C ATOM 925 C HIS A 59 -1.703 2.329 7.068 1.00 0.00 C ATOM 926 O HIS A 59 -2.838 2.781 7.210 1.00 0.00 O ATOM 927 CB HIS A 59 0.015 2.738 8.896 1.00 0.00 C ATOM 928 CG HIS A 59 -1.089 2.095 9.699 1.00 0.00 C ATOM 929 ND1 HIS A 59 -2.043 2.834 10.382 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.397 0.781 9.926 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.872 1.962 10.985 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.524 0.696 10.740 1.00 0.00 N ATOM 0 H HIS A 59 -1.715 4.835 7.205 1.00 0.00 H new ATOM 0 HA HIS A 59 0.317 2.934 6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.852 2.046 8.808 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.384 3.618 9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.849 -0.063 9.533 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.716 2.251 11.593 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.984 -0.150 11.076 1.00 0.00 H new ATOM 940 N ILE A 60 -1.460 1.108 6.583 1.00 0.00 N ATOM 941 CA ILE A 60 -2.549 0.213 6.182 1.00 0.00 C ATOM 942 C ILE A 60 -2.140 -1.241 6.348 1.00 0.00 C ATOM 943 O ILE A 60 -0.981 -1.600 6.140 1.00 0.00 O ATOM 944 CB ILE A 60 -2.962 0.450 4.722 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.715 0.474 3.813 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.711 1.775 4.610 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.060 1.111 2.458 1.00 0.00 C ATOM 0 H ILE A 60 -0.525 0.719 6.459 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.398 0.432 6.830 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.615 -0.362 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.915 1.037 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.345 -0.540 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.003 1.941 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.602 1.744 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.064 2.588 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.173 1.123 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.845 0.531 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.408 2.132 2.614 1.00 0.00 H new ATOM 959 N ILE A 61 -3.110 -2.080 6.705 1.00 0.00 N ATOM 960 CA ILE A 61 -2.862 -3.507 6.880 1.00 0.00 C ATOM 961 C ILE A 61 -3.671 -4.302 5.863 1.00 0.00 C ATOM 962 O ILE A 61 -4.874 -4.499 6.031 1.00 0.00 O ATOM 963 CB ILE A 61 -3.277 -3.939 8.287 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.626 -3.014 9.326 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.840 -5.386 8.529 1.00 0.00 C ATOM 966 CD1 ILE A 61 -1.096 -3.030 9.197 1.00 0.00 C ATOM 0 H ILE A 61 -4.074 -1.795 6.878 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.799 -3.697 6.735 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.361 -3.872 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.995 -1.997 9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.913 -3.329 10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.136 -5.693 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.315 -6.037 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.757 -5.460 8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.661 -2.367 9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.728 -4.044 9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.811 -2.691 8.201 1.00 0.00 H new ATOM 978 N LEU A 62 -3.005 -4.772 4.814 1.00 0.00 N ATOM 979 CA LEU A 62 -3.676 -5.559 3.788 1.00 0.00 C ATOM 980 C LEU A 62 -3.657 -7.025 4.196 1.00 0.00 C ATOM 981 O LEU A 62 -2.623 -7.680 4.139 1.00 0.00 O ATOM 982 CB LEU A 62 -2.953 -5.362 2.449 1.00 0.00 C ATOM 983 CG LEU A 62 -3.464 -4.088 1.763 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.372 -2.893 2.717 1.00 0.00 C ATOM 985 CD2 LEU A 62 -2.618 -3.804 0.516 1.00 0.00 C ATOM 0 H LEU A 62 -2.009 -4.623 4.653 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.711 -5.236 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.878 -5.291 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.121 -6.225 1.805 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.506 -4.237 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.738 -1.998 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.978 -3.086 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.334 -2.744 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.981 -2.899 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.576 -3.667 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.695 -4.644 -0.175 1.00 0.00 H new ATOM 997 N GLU A 63 -4.813 -7.517 4.630 1.00 0.00 N ATOM 998 CA GLU A 63 -4.946 -8.895 5.091 1.00 0.00 C ATOM 999 C GLU A 63 -5.240 -9.862 3.950 1.00 0.00 C ATOM 1000 O GLU A 63 -6.044 -9.578 3.062 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.082 -8.972 6.112 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.692 -8.192 7.369 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.853 -8.184 8.358 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.984 -8.072 7.912 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.597 -8.295 9.545 1.00 0.00 O ATOM 0 H GLU A 63 -5.677 -6.977 4.672 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.996 -9.187 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.997 -8.561 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.287 -10.012 6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.814 -8.644 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.422 -7.170 7.104 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.595 -11.022 4.012 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.788 -12.075 3.016 1.00 0.00 C ATOM 1014 C HIS A 64 -3.909 -11.846 1.785 1.00 0.00 C ATOM 1015 O HIS A 64 -4.372 -11.377 0.747 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.278 -12.168 2.613 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.645 -13.598 2.301 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.946 -14.066 2.394 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -5.887 -14.672 1.907 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.932 -15.372 2.067 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -6.702 -15.791 1.760 1.00 0.00 N ATOM 0 H HIS A 64 -3.929 -11.260 4.747 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.488 -13.022 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.905 -11.792 3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.467 -11.538 1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.821 -14.652 1.737 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.808 -16.003 2.055 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.420 -16.730 1.478 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.634 -12.201 1.917 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.669 -12.063 0.826 1.00 0.00 C ATOM 1031 C LEU A 65 -0.893 -13.370 0.685 1.00 0.00 C ATOM 1032 O LEU A 65 0.238 -13.476 1.158 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.694 -10.927 1.148 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.471 -9.625 1.360 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.519 -8.556 1.899 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.086 -9.150 0.032 1.00 0.00 C ATOM 0 H LEU A 65 -2.241 -12.589 2.775 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.192 -11.838 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.121 -11.169 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.021 -10.807 0.334 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.275 -9.798 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.066 -7.626 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.097 -8.889 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.285 -8.390 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.636 -8.223 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.293 -8.977 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.766 -9.913 -0.348 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.521 -14.372 0.061 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.894 -15.688 -0.108 1.00 0.00 C ATOM 1050 C GLN A 66 0.614 -15.557 -0.324 1.00 0.00 C ATOM 1051 O GLN A 66 1.092 -14.606 -0.942 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.530 -16.440 -1.275 1.00 0.00 C ATOM 1053 CG GLN A 66 -1.185 -17.929 -1.186 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.874 -18.692 -2.312 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.924 -18.268 -2.797 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -1.340 -19.792 -2.767 1.00 0.00 N ATOM 0 H GLN A 66 -2.459 -14.298 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.059 -16.256 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.612 -16.307 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.173 -16.031 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.105 -18.065 -1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.499 -18.326 -0.221 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.471 -20.141 -2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.792 -20.302 -3.526 1.00 0.00 H new ATOM 1065 N TRP A 67 1.345 -16.509 0.230 1.00 0.00 N ATOM 1066 CA TRP A 67 2.804 -16.518 0.158 1.00 0.00 C ATOM 1067 C TRP A 67 3.318 -16.814 -1.250 1.00 0.00 C ATOM 1068 O TRP A 67 4.458 -16.492 -1.580 1.00 0.00 O ATOM 1069 CB TRP A 67 3.332 -17.575 1.126 1.00 0.00 C ATOM 1070 CG TRP A 67 2.832 -17.272 2.504 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.735 -17.835 3.059 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.371 -16.354 3.507 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.565 -17.325 4.331 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.546 -16.414 4.655 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.481 -15.488 3.540 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.805 -15.648 5.789 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.746 -14.714 4.682 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.910 -14.794 5.806 1.00 0.00 C ATOM 0 H TRP A 67 0.949 -17.297 0.742 1.00 0.00 H new ATOM 0 HA TRP A 67 3.162 -15.524 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.002 -18.567 0.816 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.422 -17.584 1.115 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.096 -18.565 2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.804 -17.591 4.956 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.133 -15.418 2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.156 -15.714 6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.600 -14.052 4.695 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.120 -14.197 6.681 1.00 0.00 H new ATOM 1089 N THR A 68 2.488 -17.454 -2.067 1.00 0.00 N ATOM 1090 CA THR A 68 2.883 -17.821 -3.428 1.00 0.00 C ATOM 1091 C THR A 68 2.315 -16.848 -4.456 1.00 0.00 C ATOM 1092 O THR A 68 2.165 -17.191 -5.628 1.00 0.00 O ATOM 1093 CB THR A 68 2.385 -19.233 -3.735 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.968 -19.221 -3.839 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.809 -20.176 -2.605 1.00 0.00 C ATOM 0 H THR A 68 1.539 -17.730 -1.814 1.00 0.00 H new ATOM 0 HA THR A 68 3.971 -17.781 -3.490 1.00 0.00 H new ATOM 0 HB THR A 68 2.814 -19.577 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.660 -20.076 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.455 -21.184 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.896 -20.182 -2.525 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.378 -19.834 -1.664 1.00 0.00 H new ATOM 1103 N MET A 69 1.993 -15.633 -4.020 1.00 0.00 N ATOM 1104 CA MET A 69 1.436 -14.629 -4.926 1.00 0.00 C ATOM 1105 C MET A 69 1.980 -13.247 -4.607 1.00 0.00 C ATOM 1106 O MET A 69 1.983 -12.810 -3.456 1.00 0.00 O ATOM 1107 CB MET A 69 -0.097 -14.615 -4.817 1.00 0.00 C ATOM 1108 CG MET A 69 -0.677 -13.343 -5.472 1.00 0.00 C ATOM 1109 SD MET A 69 -2.336 -13.687 -6.120 1.00 0.00 S ATOM 1110 CE MET A 69 -1.836 -14.245 -7.769 1.00 0.00 C ATOM 0 H MET A 69 2.106 -15.321 -3.056 1.00 0.00 H new ATOM 0 HA MET A 69 1.728 -14.891 -5.943 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.509 -15.500 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.393 -14.658 -3.769 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.722 -12.535 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.024 -13.008 -6.278 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.722 -14.393 -8.387 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.194 -13.493 -8.228 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.291 -15.185 -7.685 1.00 0.00 H new ATOM 1120 N GLY A 70 2.403 -12.547 -5.653 1.00 0.00 N ATOM 1121 CA GLY A 70 2.907 -11.193 -5.505 1.00 0.00 C ATOM 1122 C GLY A 70 1.781 -10.221 -5.801 1.00 0.00 C ATOM 1123 O GLY A 70 0.838 -10.563 -6.512 1.00 0.00 O ATOM 0 H GLY A 70 2.406 -12.897 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.284 -11.038 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.741 -11.024 -6.186 1.00 0.00 H new ATOM 1127 N TYR A 71 1.846 -9.027 -5.225 1.00 0.00 N ATOM 1128 CA TYR A 71 0.778 -8.055 -5.423 1.00 0.00 C ATOM 1129 C TYR A 71 1.311 -6.615 -5.386 1.00 0.00 C ATOM 1130 O TYR A 71 2.092 -6.250 -4.507 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.283 -8.306 -4.336 1.00 0.00 C ATOM 1132 CG TYR A 71 0.067 -7.593 -3.049 1.00 0.00 C ATOM 1133 CD1 TYR A 71 1.064 -8.098 -2.203 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.625 -6.436 -2.701 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.362 -7.432 -1.005 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -0.335 -5.777 -1.509 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.657 -6.269 -0.659 1.00 0.00 C ATOM 1138 OH TYR A 71 0.925 -5.615 0.524 1.00 0.00 O ATOM 0 H TYR A 71 2.611 -8.712 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 71 0.333 -8.178 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.256 -7.965 -4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.369 -9.376 -4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.600 -8.996 -2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.389 -6.048 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.132 -7.813 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.879 -4.883 -1.242 1.00 0.00 H new ATOM 0 HH TYR A 71 1.227 -6.263 1.195 1.00 0.00 H new ATOM 1148 N GLU A 72 0.885 -5.808 -6.364 1.00 0.00 N ATOM 1149 CA GLU A 72 1.322 -4.407 -6.462 1.00 0.00 C ATOM 1150 C GLU A 72 0.422 -3.499 -5.624 1.00 0.00 C ATOM 1151 O GLU A 72 -0.757 -3.791 -5.437 1.00 0.00 O ATOM 1152 CB GLU A 72 1.289 -3.933 -7.936 1.00 0.00 C ATOM 1153 CG GLU A 72 1.368 -5.140 -8.870 1.00 0.00 C ATOM 1154 CD GLU A 72 1.614 -4.684 -10.304 1.00 0.00 C ATOM 1155 OE1 GLU A 72 2.134 -3.594 -10.481 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.276 -5.433 -11.205 1.00 0.00 O ATOM 0 H GLU A 72 0.239 -6.098 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 72 2.342 -4.348 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.374 -3.373 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.122 -3.257 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.171 -5.804 -8.550 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.441 -5.711 -8.817 1.00 0.00 H new ATOM 1163 N VAL A 73 0.982 -2.385 -5.146 1.00 0.00 N ATOM 1164 CA VAL A 73 0.226 -1.416 -4.352 1.00 0.00 C ATOM 1165 C VAL A 73 0.416 -0.020 -4.928 1.00 0.00 C ATOM 1166 O VAL A 73 1.537 0.383 -5.225 1.00 0.00 O ATOM 1167 CB VAL A 73 0.703 -1.444 -2.896 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.377 -0.857 -1.974 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.001 -2.891 -2.496 1.00 0.00 C ATOM 0 H VAL A 73 1.959 -2.132 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.831 -1.679 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 73 1.607 -0.843 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.027 -0.882 -0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.581 0.174 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.290 -1.446 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.341 -2.920 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.096 -3.490 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.778 -3.295 -3.145 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.681 0.714 -5.085 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.625 2.070 -5.627 1.00 0.00 C ATOM 1181 C GLN A 74 -1.309 3.035 -4.675 1.00 0.00 C ATOM 1182 O GLN A 74 -2.530 3.027 -4.524 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.304 2.109 -6.992 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.258 3.533 -7.551 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.782 3.547 -8.984 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.886 2.497 -9.617 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.116 4.681 -9.536 1.00 0.00 N ATOM 0 H GLN A 74 -1.619 0.394 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 74 0.417 2.368 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.805 1.423 -7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.338 1.776 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.858 4.197 -6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.236 3.910 -7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.029 5.550 -9.009 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.464 4.699 -10.495 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.499 3.861 -4.028 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.995 4.837 -3.072 1.00 0.00 C ATOM 1198 C ILE A 75 -1.282 6.160 -3.769 1.00 0.00 C ATOM 1199 O ILE A 75 -0.479 6.645 -4.555 1.00 0.00 O ATOM 1200 CB ILE A 75 0.065 5.039 -1.963 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.084 3.962 -0.890 1.00 0.00 C ATOM 1202 CG2 ILE A 75 -0.077 6.413 -1.302 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.311 2.600 -1.464 1.00 0.00 C ATOM 0 H ILE A 75 0.514 3.873 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.923 4.474 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 75 1.047 4.970 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.544 4.201 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.113 3.932 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.682 6.524 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.053 7.193 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.067 6.501 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.203 1.836 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.336 2.359 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.348 2.633 -1.799 1.00 0.00 H new ATOM 1215 N THR A 76 -2.420 6.757 -3.443 1.00 0.00 N ATOM 1216 CA THR A 76 -2.775 8.057 -4.007 1.00 0.00 C ATOM 1217 C THR A 76 -3.294 8.952 -2.896 1.00 0.00 C ATOM 1218 O THR A 76 -4.297 8.654 -2.258 1.00 0.00 O ATOM 1219 CB THR A 76 -3.807 7.929 -5.128 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.480 6.814 -5.946 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.787 9.207 -5.973 1.00 0.00 C ATOM 0 H THR A 76 -3.108 6.369 -2.798 1.00 0.00 H new ATOM 0 HA THR A 76 -1.883 8.500 -4.450 1.00 0.00 H new ATOM 0 HB THR A 76 -4.800 7.785 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.142 6.730 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.520 9.124 -6.775 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.032 10.063 -5.344 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.794 9.344 -6.402 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.588 10.045 -2.662 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.954 10.982 -1.611 1.00 0.00 C ATOM 1231 C ALA A 77 -3.884 12.049 -2.189 1.00 0.00 C ATOM 1232 O ALA A 77 -3.569 12.662 -3.206 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.652 11.591 -1.061 1.00 0.00 C ATOM 0 H ALA A 77 -1.754 10.307 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.489 10.490 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.889 12.301 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.020 10.798 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.124 12.106 -1.863 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.052 12.233 -1.568 1.00 0.00 N ATOM 1240 CA ALA A 78 -6.039 13.196 -2.076 1.00 0.00 C ATOM 1241 C ALA A 78 -6.075 14.490 -1.271 1.00 0.00 C ATOM 1242 O ALA A 78 -6.590 14.529 -0.154 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.429 12.559 -2.055 1.00 0.00 C ATOM 0 H ALA A 78 -5.337 11.737 -0.724 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.740 13.451 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.162 13.272 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.431 11.670 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.686 12.280 -1.033 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.560 15.560 -1.876 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.559 16.883 -1.249 1.00 0.00 C ATOM 1251 C ASN A 79 -6.538 17.797 -1.968 1.00 0.00 C ATOM 1252 O ASN A 79 -7.275 17.363 -2.853 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.152 17.499 -1.276 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.468 17.206 -2.608 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -4.031 16.522 -3.464 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.275 17.684 -2.838 1.00 0.00 N ATOM 0 H ASN A 79 -5.136 15.537 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.866 16.771 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.217 18.576 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.556 17.096 -0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.811 17.491 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.807 18.251 -2.130 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.545 19.061 -1.576 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.444 20.028 -2.180 1.00 0.00 C ATOM 1265 C ARG A 80 -7.434 19.894 -3.703 1.00 0.00 C ATOM 1266 O ARG A 80 -8.419 20.218 -4.367 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.033 21.445 -1.760 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.376 21.643 -0.283 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.946 23.040 0.167 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.304 23.250 1.567 1.00 0.00 N ATOM 1271 CZ ARG A 80 -8.508 23.700 1.907 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -9.397 23.946 0.984 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.807 23.894 3.164 1.00 0.00 N ATOM 0 H ARG A 80 -5.941 19.439 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.459 19.835 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.965 21.591 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.552 22.184 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.447 21.515 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -6.875 20.886 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.870 23.157 0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.426 23.795 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.619 23.048 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.168 23.793 0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.321 24.291 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.116 23.700 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.732 24.239 3.421 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.324 19.395 -4.245 1.00 0.00 N ATOM 1288 CA LEU A 81 -6.213 19.196 -5.685 1.00 0.00 C ATOM 1289 C LEU A 81 -7.089 18.021 -6.123 1.00 0.00 C ATOM 1290 O LEU A 81 -7.733 18.068 -7.171 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.756 18.914 -6.081 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.880 20.175 -5.941 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -4.373 21.292 -6.881 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.893 20.668 -4.488 1.00 0.00 C ATOM 0 H LEU A 81 -5.497 19.124 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.548 20.107 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.354 18.119 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.720 18.557 -7.110 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.859 19.915 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.740 22.171 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.327 20.946 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.402 21.550 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.271 21.559 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.915 20.908 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.502 19.887 -3.835 1.00 0.00 H new ATOM 1306 N GLY A 82 -7.093 16.964 -5.308 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.874 15.756 -5.595 1.00 0.00 C ATOM 1308 C GLY A 82 -6.990 14.516 -5.498 1.00 0.00 C ATOM 1309 O GLY A 82 -7.337 13.540 -4.834 1.00 0.00 O ATOM 0 H GLY A 82 -6.561 16.919 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.703 15.675 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.308 15.824 -6.593 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.841 14.574 -6.158 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.886 13.471 -6.137 1.00 0.00 C ATOM 1315 C TYR A 83 -3.489 14.023 -6.383 1.00 0.00 C ATOM 1316 O TYR A 83 -3.283 14.807 -7.310 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.233 12.438 -7.207 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.728 12.226 -7.234 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.541 13.108 -7.955 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.301 11.157 -6.536 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.928 12.923 -7.980 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.690 10.969 -6.563 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.503 11.853 -7.284 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.869 11.671 -7.306 1.00 0.00 O ATOM 0 H TYR A 83 -5.546 15.375 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.926 12.980 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.885 12.778 -8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.725 11.497 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.097 13.933 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.674 10.478 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.554 13.605 -8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.133 10.142 -6.028 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.103 10.882 -6.773 1.00 0.00 H new ATOM 1334 N SER A 84 -2.532 13.627 -5.559 1.00 0.00 N ATOM 1335 CA SER A 84 -1.176 14.121 -5.726 1.00 0.00 C ATOM 1336 C SER A 84 -0.203 13.322 -4.881 1.00 0.00 C ATOM 1337 O SER A 84 -0.601 12.620 -3.952 1.00 0.00 O ATOM 1338 CB SER A 84 -1.102 15.595 -5.326 1.00 0.00 C ATOM 1339 OG SER A 84 0.234 16.060 -5.479 1.00 0.00 O ATOM 0 H SER A 84 -2.664 12.978 -4.783 1.00 0.00 H new ATOM 0 HA SER A 84 -0.903 14.012 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.777 16.185 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.426 15.719 -4.293 1.00 0.00 H new ATOM 0 HG SER A 84 0.225 17.015 -5.699 1.00 0.00 H new ATOM 1345 N GLU A 85 1.074 13.439 -5.206 1.00 0.00 N ATOM 1346 CA GLU A 85 2.094 12.729 -4.461 1.00 0.00 C ATOM 1347 C GLU A 85 1.723 11.252 -4.335 1.00 0.00 C ATOM 1348 O GLU A 85 1.680 10.704 -3.234 1.00 0.00 O ATOM 1349 CB GLU A 85 2.228 13.375 -3.073 1.00 0.00 C ATOM 1350 CG GLU A 85 3.504 12.911 -2.365 1.00 0.00 C ATOM 1351 CD GLU A 85 4.744 13.288 -3.166 1.00 0.00 C ATOM 1352 OE1 GLU A 85 5.246 14.379 -2.961 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.169 12.484 -3.980 1.00 0.00 O ATOM 0 H GLU A 85 1.424 14.013 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 85 3.048 12.791 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.240 14.460 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.359 13.121 -2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.557 13.360 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.473 11.831 -2.224 1.00 0.00 H new ATOM 1360 N PRO A 86 1.459 10.604 -5.445 1.00 0.00 N ATOM 1361 CA PRO A 86 1.096 9.157 -5.474 1.00 0.00 C ATOM 1362 C PRO A 86 2.326 8.280 -5.236 1.00 0.00 C ATOM 1363 O PRO A 86 3.451 8.706 -5.496 1.00 0.00 O ATOM 1364 CB PRO A 86 0.543 8.970 -6.891 1.00 0.00 C ATOM 1365 CG PRO A 86 1.300 9.959 -7.711 1.00 0.00 C ATOM 1366 CD PRO A 86 1.486 11.180 -6.806 1.00 0.00 C ATOM 0 HA PRO A 86 0.385 8.873 -4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.700 7.952 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.530 9.159 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.261 9.554 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.752 10.221 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.428 11.690 -7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.690 11.911 -6.949 1.00 0.00 H new ATOM 1374 N THR A 87 2.113 7.052 -4.754 1.00 0.00 N ATOM 1375 CA THR A 87 3.219 6.129 -4.501 1.00 0.00 C ATOM 1376 C THR A 87 2.946 4.774 -5.133 1.00 0.00 C ATOM 1377 O THR A 87 2.097 4.018 -4.668 1.00 0.00 O ATOM 1378 CB THR A 87 3.447 5.958 -2.979 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.581 6.822 -2.266 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.885 6.286 -2.614 1.00 0.00 C ATOM 0 H THR A 87 1.190 6.677 -4.533 1.00 0.00 H new ATOM 0 HA THR A 87 4.118 6.552 -4.950 1.00 0.00 H new ATOM 0 HB THR A 87 3.239 4.921 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.727 6.710 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.026 6.160 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.558 5.616 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.104 7.317 -2.890 1.00 0.00 H new ATOM 1388 N VAL A 88 3.704 4.457 -6.171 1.00 0.00 N ATOM 1389 CA VAL A 88 3.560 3.169 -6.834 1.00 0.00 C ATOM 1390 C VAL A 88 4.561 2.195 -6.236 1.00 0.00 C ATOM 1391 O VAL A 88 5.728 2.167 -6.627 1.00 0.00 O ATOM 1392 CB VAL A 88 3.811 3.313 -8.337 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.391 2.027 -9.051 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.994 4.487 -8.886 1.00 0.00 C ATOM 0 H VAL A 88 4.418 5.066 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 88 2.546 2.797 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 88 4.872 3.497 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.570 2.130 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.973 1.190 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.331 1.843 -8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.175 4.587 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.933 4.305 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.292 5.406 -8.380 1.00 0.00 H new ATOM 1404 N TYR A 89 4.101 1.406 -5.267 1.00 0.00 N ATOM 1405 CA TYR A 89 4.967 0.436 -4.594 1.00 0.00 C ATOM 1406 C TYR A 89 4.697 -0.972 -5.110 1.00 0.00 C ATOM 1407 O TYR A 89 3.545 -1.384 -5.232 1.00 0.00 O ATOM 1408 CB TYR A 89 4.719 0.487 -3.084 1.00 0.00 C ATOM 1409 CG TYR A 89 5.674 -0.438 -2.340 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.069 -0.309 -2.494 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.166 -1.421 -1.474 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.934 -1.155 -1.789 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.036 -2.263 -0.775 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.419 -2.130 -0.931 1.00 0.00 C ATOM 1415 OH TYR A 89 8.274 -2.962 -0.236 1.00 0.00 O ATOM 0 H TYR A 89 3.138 1.418 -4.930 1.00 0.00 H new ATOM 0 HA TYR A 89 6.006 0.691 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.845 1.509 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.689 0.199 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.471 0.443 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.099 -1.527 -1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.003 -1.053 -1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.639 -3.018 -0.113 1.00 0.00 H new ATOM 0 HH TYR A 89 7.752 -3.581 0.316 1.00 0.00 H new ATOM 1425 N GLU A 90 5.763 -1.712 -5.417 1.00 0.00 N ATOM 1426 CA GLU A 90 5.621 -3.075 -5.924 1.00 0.00 C ATOM 1427 C GLU A 90 6.600 -4.022 -5.234 1.00 0.00 C ATOM 1428 O GLU A 90 7.776 -3.701 -5.050 1.00 0.00 O ATOM 1429 CB GLU A 90 5.875 -3.095 -7.433 1.00 0.00 C ATOM 1430 CG GLU A 90 7.099 -2.239 -7.756 1.00 0.00 C ATOM 1431 CD GLU A 90 7.543 -2.489 -9.192 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.684 -2.509 -10.058 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.731 -2.658 -9.404 1.00 0.00 O ATOM 0 H GLU A 90 6.727 -1.392 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 90 4.606 -3.411 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.034 -4.119 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.002 -2.715 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.862 -1.184 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.911 -2.476 -7.069 1.00 0.00 H new ATOM 1440 N PHE A 91 6.102 -5.200 -4.876 1.00 0.00 N ATOM 1441 CA PHE A 91 6.923 -6.213 -4.226 1.00 0.00 C ATOM 1442 C PHE A 91 6.152 -7.526 -4.117 1.00 0.00 C ATOM 1443 O PHE A 91 4.992 -7.540 -3.706 1.00 0.00 O ATOM 1444 CB PHE A 91 7.354 -5.738 -2.832 1.00 0.00 C ATOM 1445 CG PHE A 91 6.178 -5.773 -1.878 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.160 -4.813 -1.973 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.107 -6.763 -0.887 1.00 0.00 C ATOM 1448 CE1 PHE A 91 4.078 -4.844 -1.082 1.00 0.00 C ATOM 1449 CE2 PHE A 91 5.026 -6.796 0.001 1.00 0.00 C ATOM 1450 CZ PHE A 91 4.013 -5.836 -0.096 1.00 0.00 C ATOM 0 H PHE A 91 5.132 -5.477 -5.026 1.00 0.00 H new ATOM 0 HA PHE A 91 7.815 -6.377 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.156 -6.374 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.752 -4.725 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.210 -4.048 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.890 -7.503 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.295 -4.103 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.974 -7.562 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.180 -5.860 0.591 1.00 0.00 H new ATOM 1460 N SER A 92 6.800 -8.628 -4.487 1.00 0.00 N ATOM 1461 CA SER A 92 6.151 -9.933 -4.418 1.00 0.00 C ATOM 1462 C SER A 92 6.212 -10.471 -2.986 1.00 0.00 C ATOM 1463 O SER A 92 6.945 -9.941 -2.151 1.00 0.00 O ATOM 1464 CB SER A 92 6.823 -10.918 -5.393 1.00 0.00 C ATOM 1465 OG SER A 92 8.175 -10.530 -5.598 1.00 0.00 O ATOM 0 H SER A 92 7.760 -8.644 -4.833 1.00 0.00 H new ATOM 0 HA SER A 92 5.106 -9.823 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.780 -11.930 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.288 -10.929 -6.343 1.00 0.00 H new ATOM 0 HG SER A 92 8.605 -11.157 -6.217 1.00 0.00 H new ATOM 1471 N MET A 93 5.436 -11.524 -2.702 1.00 0.00 N ATOM 1472 CA MET A 93 5.419 -12.111 -1.361 1.00 0.00 C ATOM 1473 C MET A 93 6.373 -13.315 -1.281 1.00 0.00 C ATOM 1474 O MET A 93 6.492 -14.071 -2.246 1.00 0.00 O ATOM 1475 CB MET A 93 4.000 -12.573 -1.018 1.00 0.00 C ATOM 1476 CG MET A 93 3.071 -11.360 -0.908 1.00 0.00 C ATOM 1477 SD MET A 93 3.527 -10.361 0.535 1.00 0.00 S ATOM 1478 CE MET A 93 2.967 -11.500 1.826 1.00 0.00 C ATOM 0 H MET A 93 4.820 -11.981 -3.374 1.00 0.00 H new ATOM 0 HA MET A 93 5.746 -11.352 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.634 -13.254 -1.786 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.005 -13.125 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.137 -10.757 -1.814 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.036 -11.691 -0.820 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.284 -10.980 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.452 -12.345 1.368 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.827 -11.862 2.390 1.00 0.00 H new ATOM 1488 N PRO A 94 7.036 -13.522 -0.161 1.00 0.00 N ATOM 1489 CA PRO A 94 7.970 -14.679 0.027 1.00 0.00 C ATOM 1490 C PRO A 94 7.193 -15.972 0.281 1.00 0.00 C ATOM 1491 O PRO A 94 6.004 -15.923 0.587 1.00 0.00 O ATOM 1492 CB PRO A 94 8.774 -14.268 1.268 1.00 0.00 C ATOM 1493 CG PRO A 94 7.827 -13.442 2.069 1.00 0.00 C ATOM 1494 CD PRO A 94 6.980 -12.680 1.051 1.00 0.00 C ATOM 0 HA PRO A 94 8.593 -14.879 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.112 -15.140 1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.663 -13.700 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.203 -14.069 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.364 -12.756 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.956 -12.551 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.381 -11.684 0.864 1.00 0.00 H new ATOM 1502 N PRO A 95 7.827 -17.115 0.176 1.00 0.00 N ATOM 1503 CA PRO A 95 7.149 -18.424 0.432 1.00 0.00 C ATOM 1504 C PRO A 95 6.737 -18.563 1.900 1.00 0.00 C ATOM 1505 O PRO A 95 7.219 -17.827 2.761 1.00 0.00 O ATOM 1506 CB PRO A 95 8.205 -19.471 0.038 1.00 0.00 C ATOM 1507 CG PRO A 95 9.516 -18.761 0.160 1.00 0.00 C ATOM 1508 CD PRO A 95 9.242 -17.302 -0.204 1.00 0.00 C ATOM 0 HA PRO A 95 6.224 -18.534 -0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.164 -20.340 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.044 -19.831 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.911 -18.843 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.259 -19.197 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.898 -16.622 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.401 -17.116 -1.266 1.00 0.00 H new ATOM 1516 N LYS A 96 5.833 -19.502 2.170 1.00 0.00 N ATOM 1517 CA LYS A 96 5.346 -19.728 3.529 1.00 0.00 C ATOM 1518 C LYS A 96 6.490 -19.637 4.548 1.00 0.00 C ATOM 1519 O LYS A 96 7.536 -20.258 4.355 1.00 0.00 O ATOM 1520 CB LYS A 96 4.707 -21.124 3.616 1.00 0.00 C ATOM 1521 CG LYS A 96 4.153 -21.405 5.039 1.00 0.00 C ATOM 1522 CD LYS A 96 2.722 -20.851 5.178 1.00 0.00 C ATOM 1523 CE LYS A 96 1.703 -21.866 4.640 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.466 -22.920 5.666 1.00 0.00 N ATOM 0 H LYS A 96 5.423 -20.118 1.467 1.00 0.00 H new ATOM 0 HA LYS A 96 4.610 -18.958 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.900 -21.203 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.446 -21.881 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.155 -22.478 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.801 -20.946 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.510 -20.632 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.634 -19.912 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.767 -21.364 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.073 -22.316 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.659 -23.509 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.314 -23.515 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.259 -22.473 6.582 1.00 0.00 H new ATOM 1538 N PRO A 97 6.311 -18.923 5.642 1.00 0.00 N ATOM 1539 CA PRO A 97 7.356 -18.826 6.702 1.00 0.00 C ATOM 1540 C PRO A 97 7.400 -20.098 7.549 1.00 0.00 C ATOM 1541 O PRO A 97 6.518 -20.951 7.447 1.00 0.00 O ATOM 1542 CB PRO A 97 6.909 -17.624 7.534 1.00 0.00 C ATOM 1543 CG PRO A 97 5.421 -17.601 7.404 1.00 0.00 C ATOM 1544 CD PRO A 97 5.113 -18.125 6.000 1.00 0.00 C ATOM 0 HA PRO A 97 8.362 -18.711 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.213 -17.729 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.353 -16.700 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.953 -18.225 8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.033 -16.591 7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.210 -18.735 5.991 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.953 -17.309 5.296 1.00 0.00 H new