USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HD1:sc= -0.919 X(o=-1.8,f=-1.9) USER MOD Set 1.2: B 13 SER OG : rot 150:sc= -0.89 USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= 0.401 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.92 K(o=0.92,f=-5.7!) USER MOD Single : A 16 ASN : amide:sc= 1.06 K(o=1.1,f=-3.1!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0144 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 27 ASN : amide:sc= 0.409 K(o=0.41,f=-5.6!) USER MOD Single : A 28 THR OG1 : rot 35:sc= 0.467 USER MOD Single : A 29 SER OG : rot 2:sc= 0.728 USER MOD Single : A 32 HIS : no HD1:sc= -0.05 K(o=-0.05,f=-4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 73:sc= 0.333 USER MOD Single : A 53 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.164 X(o=-0.16,f=0.01) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 73 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.063) USER MOD Single : A 77 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot -65:sc= 1.38 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -131:sc=-0.00161 (180deg=-0.723) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.645 4.857 -10.510 1.00 0.00 N ATOM 54 CA GLY A 4 -11.346 4.341 -10.209 1.00 0.00 C ATOM 55 C GLY A 4 -10.410 4.482 -11.360 1.00 0.00 C ATOM 56 O GLY A 4 -10.041 3.500 -12.001 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.939 4.865 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.428 3.289 -9.935 1.00 0.00 H new ATOM 60 N ASP A 5 -9.966 5.715 -11.659 1.00 0.00 N ATOM 61 CA ASP A 5 -8.888 5.974 -12.562 1.00 0.00 C ATOM 62 C ASP A 5 -7.569 5.798 -11.891 1.00 0.00 C ATOM 63 O ASP A 5 -7.424 6.018 -10.690 1.00 0.00 O ATOM 64 CB ASP A 5 -9.055 7.384 -13.154 1.00 0.00 C ATOM 65 CG ASP A 5 -9.617 7.329 -14.568 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.076 6.541 -15.389 1.00 0.00 O ATOM 67 OD2 ASP A 5 -10.568 8.090 -14.890 1.00 0.00 O ATOM 0 H ASP A 5 -10.371 6.561 -11.259 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.914 5.251 -13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.719 7.971 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.091 7.893 -13.163 1.00 0.00 H new ATOM 72 N ILE A 6 -6.566 5.328 -12.654 1.00 0.00 N ATOM 73 CA ILE A 6 -5.265 4.929 -12.216 1.00 0.00 C ATOM 74 C ILE A 6 -4.312 6.074 -12.241 1.00 0.00 C ATOM 75 O ILE A 6 -4.374 6.930 -13.122 1.00 0.00 O ATOM 76 CB ILE A 6 -4.772 3.782 -13.048 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.659 2.536 -12.886 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.325 3.369 -12.728 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.806 2.422 -13.891 1.00 0.00 C ATOM 0 H ILE A 6 -6.677 5.219 -13.662 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.334 4.595 -11.181 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.814 4.153 -14.072 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.032 1.649 -12.972 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.077 2.535 -11.879 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.035 2.535 -13.367 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.658 4.212 -12.907 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.255 3.067 -11.683 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.373 1.512 -13.695 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.463 3.286 -13.793 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.401 2.387 -14.902 1.00 0.00 H new ATOM 91 N PHE A 7 -3.369 6.151 -11.285 1.00 0.00 N ATOM 92 CA PHE A 7 -2.307 7.110 -11.317 1.00 0.00 C ATOM 93 C PHE A 7 -1.043 6.569 -10.743 1.00 0.00 C ATOM 94 O PHE A 7 -1.015 5.520 -10.101 1.00 0.00 O ATOM 95 CB PHE A 7 -2.693 8.467 -10.704 1.00 0.00 C ATOM 96 CG PHE A 7 -2.973 8.427 -9.242 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.160 7.921 -8.766 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.053 8.928 -8.352 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.417 7.899 -7.415 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.307 8.917 -7.001 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.491 8.399 -6.531 1.00 0.00 C ATOM 0 H PHE A 7 -3.343 5.535 -10.473 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.118 7.308 -12.372 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.886 9.177 -10.887 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.575 8.847 -11.220 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.896 7.538 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.122 9.334 -8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.347 7.489 -7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.578 9.314 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.693 8.385 -5.470 1.00 0.00 H new ATOM 111 N GLU A 8 0.081 7.263 -10.990 1.00 0.00 N ATOM 112 CA GLU A 8 1.388 6.858 -10.570 1.00 0.00 C ATOM 113 C GLU A 8 1.969 7.787 -9.560 1.00 0.00 C ATOM 114 O GLU A 8 1.889 9.010 -9.667 1.00 0.00 O ATOM 115 CB GLU A 8 2.311 6.693 -11.789 1.00 0.00 C ATOM 116 CG GLU A 8 2.590 7.967 -12.587 1.00 0.00 C ATOM 117 CD GLU A 8 2.808 7.690 -14.068 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.912 7.235 -14.468 1.00 0.00 O ATOM 119 OE2 GLU A 8 1.872 7.969 -14.865 1.00 0.00 O ATOM 0 H GLU A 8 0.080 8.144 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 8 1.295 5.891 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.262 6.284 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.869 5.956 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.754 8.657 -12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.472 8.462 -12.179 1.00 0.00 H new ATOM 126 N VAL A 9 2.565 7.233 -8.488 1.00 0.00 N ATOM 127 CA VAL A 9 3.377 7.958 -7.560 1.00 0.00 C ATOM 128 C VAL A 9 4.811 7.657 -7.833 1.00 0.00 C ATOM 129 O VAL A 9 5.277 6.540 -7.618 1.00 0.00 O ATOM 130 CB VAL A 9 3.029 7.661 -6.132 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.036 8.264 -5.139 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.638 8.260 -5.857 1.00 0.00 C ATOM 0 H VAL A 9 2.478 6.243 -8.259 1.00 0.00 H new ATOM 0 HA VAL A 9 3.187 9.022 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 9 3.047 6.580 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.735 8.018 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.028 7.855 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.061 9.347 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.354 8.061 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.666 9.337 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.908 7.807 -6.528 1.00 0.00 H new ATOM 142 N GLU A 10 5.567 8.658 -8.320 1.00 0.00 N ATOM 143 CA GLU A 10 6.990 8.596 -8.451 1.00 0.00 C ATOM 144 C GLU A 10 7.552 9.571 -7.474 1.00 0.00 C ATOM 145 O GLU A 10 7.480 10.784 -7.671 1.00 0.00 O ATOM 146 CB GLU A 10 7.403 8.924 -9.895 1.00 0.00 C ATOM 147 CG GLU A 10 8.883 8.728 -10.229 1.00 0.00 C ATOM 148 CD GLU A 10 9.774 9.892 -9.818 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.678 10.975 -10.456 1.00 0.00 O ATOM 150 OE2 GLU A 10 10.591 9.728 -8.874 1.00 0.00 O ATOM 0 H GLU A 10 5.172 9.544 -8.634 1.00 0.00 H new ATOM 0 HA GLU A 10 7.373 7.597 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.813 8.304 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.138 9.961 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.238 7.822 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.984 8.569 -11.303 1.00 0.00 H new ATOM 157 N LEU A 11 8.062 9.085 -6.329 1.00 0.00 N ATOM 158 CA LEU A 11 8.606 9.916 -5.299 1.00 0.00 C ATOM 159 C LEU A 11 9.900 9.380 -4.793 1.00 0.00 C ATOM 160 O LEU A 11 10.365 8.304 -5.167 1.00 0.00 O ATOM 161 CB LEU A 11 7.584 10.081 -4.163 1.00 0.00 C ATOM 162 CG LEU A 11 7.459 11.493 -3.567 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.766 12.461 -4.541 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.686 11.448 -2.239 1.00 0.00 C ATOM 0 H LEU A 11 8.097 8.089 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 11 8.814 10.899 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.605 9.777 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.848 9.392 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 11 8.469 11.861 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.696 13.448 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.345 12.527 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.765 12.094 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.606 12.455 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.688 11.047 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.215 10.810 -1.531 1.00 0.00 H new ATOM 176 N ALA A 12 10.540 10.118 -3.868 1.00 0.00 N ATOM 177 CA ALA A 12 11.654 9.677 -3.088 1.00 0.00 C ATOM 178 C ALA A 12 11.374 10.081 -1.681 1.00 0.00 C ATOM 179 O ALA A 12 10.557 10.971 -1.451 1.00 0.00 O ATOM 180 CB ALA A 12 12.967 10.313 -3.579 1.00 0.00 C ATOM 0 H ALA A 12 10.264 11.076 -3.653 1.00 0.00 H new ATOM 0 HA ALA A 12 11.778 8.598 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.795 9.958 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.140 10.034 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.897 11.398 -3.501 1.00 0.00 H new ATOM 186 N LYS A 13 12.004 9.448 -0.675 1.00 0.00 N ATOM 187 CA LYS A 13 11.767 9.785 0.694 1.00 0.00 C ATOM 188 C LYS A 13 12.310 11.109 1.108 1.00 0.00 C ATOM 189 O LYS A 13 13.298 11.604 0.567 1.00 0.00 O ATOM 190 CB LYS A 13 12.290 8.725 1.678 1.00 0.00 C ATOM 191 CG LYS A 13 13.808 8.657 1.864 1.00 0.00 C ATOM 192 CD LYS A 13 14.204 7.846 3.099 1.00 0.00 C ATOM 193 CE LYS A 13 14.037 8.572 4.437 1.00 0.00 C ATOM 194 NZ LYS A 13 15.135 9.543 4.645 1.00 0.00 N ATOM 0 H LYS A 13 12.682 8.698 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 13 10.679 9.830 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.835 8.909 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.943 7.748 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.261 8.211 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.207 9.668 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.607 6.934 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.246 7.543 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.078 9.090 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.026 7.847 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.637 9.316 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.799 9.492 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.742 10.504 4.708 1.00 0.00 H new ATOM 208 N ASN A 14 11.695 11.746 2.121 1.00 0.00 N ATOM 209 CA ASN A 14 12.260 12.875 2.794 1.00 0.00 C ATOM 210 C ASN A 14 12.398 12.551 4.242 1.00 0.00 C ATOM 211 O ASN A 14 13.441 12.095 4.707 1.00 0.00 O ATOM 212 CB ASN A 14 11.502 14.174 2.477 1.00 0.00 C ATOM 213 CG ASN A 14 9.987 14.045 2.419 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.321 13.712 3.397 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.396 14.348 1.232 1.00 0.00 N ATOM 0 H ASN A 14 10.782 11.469 2.481 1.00 0.00 H new ATOM 0 HA ASN A 14 13.264 13.079 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.758 14.918 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.855 14.557 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.381 14.301 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.968 14.622 0.433 1.00 0.00 H new ATOM 222 N ASP A 15 11.317 12.727 5.023 1.00 0.00 N ATOM 223 CA ASP A 15 11.223 12.319 6.391 1.00 0.00 C ATOM 224 C ASP A 15 11.001 10.847 6.449 1.00 0.00 C ATOM 225 O ASP A 15 11.734 10.110 7.107 1.00 0.00 O ATOM 226 CB ASP A 15 10.088 13.080 7.099 1.00 0.00 C ATOM 227 CG ASP A 15 10.477 14.517 7.413 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.495 15.033 6.876 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.759 15.157 8.227 1.00 0.00 O ATOM 0 H ASP A 15 10.466 13.176 4.683 1.00 0.00 H new ATOM 0 HA ASP A 15 12.153 12.555 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.199 13.074 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.827 12.565 8.023 1.00 0.00 H new ATOM 234 N ASN A 16 9.995 10.360 5.702 1.00 0.00 N ATOM 235 CA ASN A 16 9.678 8.974 5.546 1.00 0.00 C ATOM 236 C ASN A 16 9.362 8.801 4.101 1.00 0.00 C ATOM 237 O ASN A 16 9.380 9.772 3.346 1.00 0.00 O ATOM 238 CB ASN A 16 8.508 8.634 6.485 1.00 0.00 C ATOM 239 CG ASN A 16 8.112 7.165 6.523 1.00 0.00 C ATOM 240 OD1 ASN A 16 8.871 6.266 6.170 1.00 0.00 O ATOM 241 ND2 ASN A 16 6.837 6.901 6.916 1.00 0.00 N ATOM 0 H ASN A 16 9.367 10.968 5.177 1.00 0.00 H new ATOM 0 HA ASN A 16 10.486 8.294 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.771 8.949 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.640 9.220 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.494 5.941 6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.224 7.663 7.205 1.00 0.00 H new ATOM 248 N SER A 17 9.071 7.566 3.657 1.00 0.00 N ATOM 249 CA SER A 17 8.673 7.276 2.314 1.00 0.00 C ATOM 250 C SER A 17 7.218 7.527 2.114 1.00 0.00 C ATOM 251 O SER A 17 6.869 8.345 1.264 1.00 0.00 O ATOM 252 CB SER A 17 9.016 5.860 1.820 1.00 0.00 C ATOM 253 OG SER A 17 10.420 5.748 1.637 1.00 0.00 O ATOM 0 H SER A 17 9.114 6.740 4.253 1.00 0.00 H new ATOM 0 HA SER A 17 9.267 7.962 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.673 5.119 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.499 5.656 0.882 1.00 0.00 H new ATOM 0 HG SER A 17 10.638 4.845 1.324 1.00 0.00 H new ATOM 259 N LEU A 18 6.311 6.873 2.861 1.00 0.00 N ATOM 260 CA LEU A 18 4.925 7.216 2.797 1.00 0.00 C ATOM 261 C LEU A 18 4.487 8.036 3.962 1.00 0.00 C ATOM 262 O LEU A 18 4.522 9.265 3.922 1.00 0.00 O ATOM 263 CB LEU A 18 4.016 5.997 2.567 1.00 0.00 C ATOM 264 CG LEU A 18 4.230 5.284 1.220 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.214 4.142 1.043 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.121 6.223 0.007 1.00 0.00 C ATOM 0 H LEU A 18 6.535 6.113 3.504 1.00 0.00 H new ATOM 0 HA LEU A 18 4.814 7.845 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.180 5.281 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.976 6.318 2.632 1.00 0.00 H new ATOM 0 HG LEU A 18 5.248 4.896 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.382 3.651 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.337 3.418 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.203 4.547 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.283 5.655 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.129 6.674 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.874 7.007 0.085 1.00 0.00 H new ATOM 278 N GLY A 19 4.017 7.390 5.044 1.00 0.00 N ATOM 279 CA GLY A 19 3.291 8.013 6.105 1.00 0.00 C ATOM 280 C GLY A 19 1.857 7.617 6.027 1.00 0.00 C ATOM 281 O GLY A 19 0.953 8.451 6.037 1.00 0.00 O ATOM 0 H GLY A 19 4.149 6.388 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.709 7.718 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.384 9.097 6.036 1.00 0.00 H new ATOM 285 N ILE A 20 1.585 6.303 5.926 1.00 0.00 N ATOM 286 CA ILE A 20 0.262 5.792 5.742 1.00 0.00 C ATOM 287 C ILE A 20 0.036 4.595 6.600 1.00 0.00 C ATOM 288 O ILE A 20 0.963 4.015 7.164 1.00 0.00 O ATOM 289 CB ILE A 20 0.016 5.562 4.279 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.469 5.639 3.887 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.693 4.272 3.786 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.675 5.953 2.407 1.00 0.00 C ATOM 0 H ILE A 20 2.302 5.579 5.973 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.479 6.521 6.070 1.00 0.00 H new ATOM 0 HB ILE A 20 0.489 6.394 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.952 4.691 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.959 6.405 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.493 4.139 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.769 4.341 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.298 3.420 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.742 5.995 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.219 6.915 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.211 5.174 1.802 1.00 0.00 H new ATOM 304 N SER A 21 -1.236 4.194 6.771 1.00 0.00 N ATOM 305 CA SER A 21 -1.664 3.071 7.546 1.00 0.00 C ATOM 306 C SER A 21 -2.443 2.172 6.649 1.00 0.00 C ATOM 307 O SER A 21 -3.237 2.629 5.827 1.00 0.00 O ATOM 308 CB SER A 21 -2.526 3.525 8.736 1.00 0.00 C ATOM 309 OG SER A 21 -2.797 2.454 9.627 1.00 0.00 O ATOM 0 H SER A 21 -2.017 4.688 6.339 1.00 0.00 H new ATOM 0 HA SER A 21 -0.800 2.546 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.014 4.324 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.465 3.939 8.368 1.00 0.00 H new ATOM 0 HG SER A 21 -3.345 2.779 10.372 1.00 0.00 H new ATOM 315 N VAL A 22 -2.210 0.850 6.735 1.00 0.00 N ATOM 316 CA VAL A 22 -2.567 -0.106 5.733 1.00 0.00 C ATOM 317 C VAL A 22 -3.433 -1.166 6.324 1.00 0.00 C ATOM 318 O VAL A 22 -3.246 -1.550 7.477 1.00 0.00 O ATOM 319 CB VAL A 22 -1.308 -0.696 5.170 1.00 0.00 C ATOM 320 CG1 VAL A 22 -1.559 -1.931 4.287 1.00 0.00 C ATOM 321 CG2 VAL A 22 -0.575 0.381 4.353 1.00 0.00 C ATOM 0 H VAL A 22 -1.751 0.428 7.542 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.130 0.377 4.934 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.702 -1.032 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.608 -2.309 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.050 -2.706 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.197 -1.654 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.342 -0.038 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.217 0.722 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.330 1.224 4.999 1.00 0.00 H new ATOM 331 N THR A 23 -4.422 -1.683 5.573 1.00 0.00 N ATOM 332 CA THR A 23 -5.293 -2.715 6.046 1.00 0.00 C ATOM 333 C THR A 23 -5.577 -3.752 5.015 1.00 0.00 C ATOM 334 O THR A 23 -5.929 -3.479 3.869 1.00 0.00 O ATOM 335 CB THR A 23 -6.549 -2.166 6.654 1.00 0.00 C ATOM 336 OG1 THR A 23 -7.361 -3.154 7.270 1.00 0.00 O ATOM 337 CG2 THR A 23 -7.426 -1.399 5.649 1.00 0.00 C ATOM 0 H THR A 23 -4.621 -1.379 4.620 1.00 0.00 H new ATOM 0 HA THR A 23 -4.750 -3.221 6.844 1.00 0.00 H new ATOM 0 HB THR A 23 -6.178 -1.479 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.161 -2.732 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.318 -1.028 6.153 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.863 -0.558 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.718 -2.066 4.838 1.00 0.00 H new ATOM 345 N GLY A 24 -5.434 -5.034 5.397 1.00 0.00 N ATOM 346 CA GLY A 24 -5.802 -6.197 4.652 1.00 0.00 C ATOM 347 C GLY A 24 -4.699 -6.772 3.831 1.00 0.00 C ATOM 348 O GLY A 24 -3.520 -6.492 4.040 1.00 0.00 O ATOM 0 H GLY A 24 -5.028 -5.274 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.160 -6.959 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.635 -5.946 3.996 1.00 0.00 H new ATOM 352 N GLY A 25 -5.061 -7.621 2.853 1.00 0.00 N ATOM 353 CA GLY A 25 -4.158 -8.161 1.884 1.00 0.00 C ATOM 354 C GLY A 25 -3.729 -9.558 2.175 1.00 0.00 C ATOM 355 O GLY A 25 -2.560 -9.910 2.019 1.00 0.00 O ATOM 0 H GLY A 25 -6.021 -7.944 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.633 -8.133 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.275 -7.524 1.829 1.00 0.00 H new ATOM 359 N VAL A 26 -4.684 -10.403 2.604 1.00 0.00 N ATOM 360 CA VAL A 26 -4.394 -11.722 3.074 1.00 0.00 C ATOM 361 C VAL A 26 -4.808 -12.729 2.057 1.00 0.00 C ATOM 362 O VAL A 26 -4.183 -12.903 1.013 1.00 0.00 O ATOM 363 CB VAL A 26 -4.987 -11.946 4.433 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.377 -13.204 5.073 1.00 0.00 C ATOM 365 CG2 VAL A 26 -4.693 -10.740 5.342 1.00 0.00 C ATOM 0 H VAL A 26 -5.676 -10.166 2.625 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.318 -11.841 3.203 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.064 -12.072 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.814 -13.359 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.585 -14.070 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.299 -13.077 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.128 -10.912 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.615 -10.611 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.128 -9.841 4.906 1.00 0.00 H new ATOM 375 N ASN A 27 -5.906 -13.457 2.331 1.00 0.00 N ATOM 376 CA ASN A 27 -6.470 -14.501 1.533 1.00 0.00 C ATOM 377 C ASN A 27 -7.485 -13.938 0.598 1.00 0.00 C ATOM 378 O ASN A 27 -7.347 -14.022 -0.622 1.00 0.00 O ATOM 379 CB ASN A 27 -6.999 -15.633 2.428 1.00 0.00 C ATOM 380 CG ASN A 27 -7.632 -15.138 3.721 1.00 0.00 C ATOM 381 OD1 ASN A 27 -8.606 -14.386 3.713 1.00 0.00 O ATOM 382 ND2 ASN A 27 -7.027 -15.499 4.884 1.00 0.00 N ATOM 0 H ASN A 27 -6.443 -13.300 3.184 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.701 -14.954 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.735 -16.212 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.178 -16.308 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.379 -15.145 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.221 -16.124 4.867 1.00 0.00 H new ATOM 389 N THR A 28 -8.542 -13.298 1.127 1.00 0.00 N ATOM 390 CA THR A 28 -9.414 -12.434 0.393 1.00 0.00 C ATOM 391 C THR A 28 -9.589 -11.207 1.218 1.00 0.00 C ATOM 392 O THR A 28 -9.688 -11.275 2.443 1.00 0.00 O ATOM 393 CB THR A 28 -10.712 -13.063 -0.019 1.00 0.00 C ATOM 394 OG1 THR A 28 -11.523 -12.183 -0.784 1.00 0.00 O ATOM 395 CG2 THR A 28 -11.539 -13.542 1.185 1.00 0.00 C ATOM 0 H THR A 28 -8.801 -13.386 2.110 1.00 0.00 H new ATOM 0 HA THR A 28 -8.961 -12.192 -0.569 1.00 0.00 H new ATOM 0 HB THR A 28 -10.425 -13.919 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.952 -11.615 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.469 -13.989 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.969 -14.283 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.766 -12.694 1.831 1.00 0.00 H new ATOM 403 N SER A 29 -9.585 -10.017 0.589 1.00 0.00 N ATOM 404 CA SER A 29 -9.722 -8.777 1.289 1.00 0.00 C ATOM 405 C SER A 29 -10.492 -7.827 0.438 1.00 0.00 C ATOM 406 O SER A 29 -11.695 -7.644 0.618 1.00 0.00 O ATOM 407 CB SER A 29 -8.400 -8.117 1.716 1.00 0.00 C ATOM 408 OG SER A 29 -7.732 -8.877 2.711 1.00 0.00 O ATOM 0 H SER A 29 -9.485 -9.914 -0.421 1.00 0.00 H new ATOM 0 HA SER A 29 -10.242 -9.014 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.752 -8.005 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.599 -7.115 2.096 1.00 0.00 H new ATOM 0 HG SER A 29 -8.248 -9.687 2.905 1.00 0.00 H new ATOM 414 N VAL A 30 -9.845 -7.190 -0.554 1.00 0.00 N ATOM 415 CA VAL A 30 -10.500 -6.401 -1.552 1.00 0.00 C ATOM 416 C VAL A 30 -10.804 -7.280 -2.716 1.00 0.00 C ATOM 417 O VAL A 30 -11.947 -7.403 -3.154 1.00 0.00 O ATOM 418 CB VAL A 30 -9.736 -5.149 -1.871 1.00 0.00 C ATOM 419 CG1 VAL A 30 -8.250 -5.392 -2.186 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.390 -4.344 -3.006 1.00 0.00 C ATOM 0 H VAL A 30 -8.832 -7.225 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.451 -6.018 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.776 -4.561 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.765 -4.441 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.767 -5.855 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.164 -6.052 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.802 -3.447 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.431 -4.955 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.401 -4.059 -2.714 1.00 0.00 H new ATOM 430 N ARG A 31 -9.789 -8.004 -3.221 1.00 0.00 N ATOM 431 CA ARG A 31 -9.929 -9.041 -4.196 1.00 0.00 C ATOM 432 C ARG A 31 -9.423 -10.297 -3.574 1.00 0.00 C ATOM 433 O ARG A 31 -9.601 -10.519 -2.377 1.00 0.00 O ATOM 434 CB ARG A 31 -9.151 -8.658 -5.465 1.00 0.00 C ATOM 435 CG ARG A 31 -9.797 -7.547 -6.296 1.00 0.00 C ATOM 436 CD ARG A 31 -11.058 -7.997 -7.037 1.00 0.00 C ATOM 437 NE ARG A 31 -11.284 -7.083 -8.191 1.00 0.00 N ATOM 438 CZ ARG A 31 -10.524 -7.116 -9.324 1.00 0.00 C ATOM 439 NH1 ARG A 31 -9.591 -8.086 -9.549 1.00 0.00 N ATOM 440 NH2 ARG A 31 -10.647 -6.137 -10.268 1.00 0.00 N ATOM 0 H ARG A 31 -8.821 -7.858 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.967 -9.185 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.147 -8.343 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.041 -9.544 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.048 -6.713 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.072 -7.177 -7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.946 -9.024 -7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.917 -7.979 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.041 -6.402 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.442 -8.821 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.042 -8.076 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.310 -5.375 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.076 -6.168 -11.112 1.00 0.00 H new ATOM 454 N HIS A 32 -8.732 -11.167 -4.332 1.00 0.00 N ATOM 455 CA HIS A 32 -8.028 -12.309 -3.836 1.00 0.00 C ATOM 456 C HIS A 32 -6.762 -11.922 -3.152 1.00 0.00 C ATOM 457 O HIS A 32 -5.653 -12.199 -3.608 1.00 0.00 O ATOM 458 CB HIS A 32 -7.744 -13.331 -4.950 1.00 0.00 C ATOM 459 CG HIS A 32 -6.953 -12.846 -6.128 1.00 0.00 C ATOM 460 ND1 HIS A 32 -6.695 -13.738 -7.149 1.00 0.00 N ATOM 461 CD2 HIS A 32 -6.391 -11.639 -6.402 1.00 0.00 C ATOM 462 CE1 HIS A 32 -5.969 -13.065 -8.022 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.760 -11.783 -7.621 1.00 0.00 N ATOM 0 H HIS A 32 -8.661 -11.068 -5.345 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.679 -12.782 -3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.214 -14.175 -4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.699 -13.710 -5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.430 -10.749 -5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.588 -13.482 -8.942 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.238 -11.066 -8.124 1.00 0.00 H new ATOM 471 N GLY A 33 -6.901 -11.199 -2.027 1.00 0.00 N ATOM 472 CA GLY A 33 -5.863 -10.487 -1.349 1.00 0.00 C ATOM 473 C GLY A 33 -6.052 -9.041 -1.651 1.00 0.00 C ATOM 474 O GLY A 33 -7.175 -8.539 -1.659 1.00 0.00 O ATOM 0 H GLY A 33 -7.803 -11.106 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.912 -10.665 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.882 -10.825 -1.684 1.00 0.00 H new ATOM 478 N GLY A 34 -4.949 -8.323 -1.932 1.00 0.00 N ATOM 479 CA GLY A 34 -4.978 -6.936 -2.280 1.00 0.00 C ATOM 480 C GLY A 34 -4.985 -6.038 -1.091 1.00 0.00 C ATOM 481 O GLY A 34 -5.575 -6.330 -0.053 1.00 0.00 O ATOM 0 H GLY A 34 -4.009 -8.719 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.111 -6.704 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.863 -6.737 -2.884 1.00 0.00 H new ATOM 485 N ILE A 35 -4.363 -4.852 -1.209 1.00 0.00 N ATOM 486 CA ILE A 35 -3.908 -4.086 -0.091 1.00 0.00 C ATOM 487 C ILE A 35 -4.588 -2.764 -0.202 1.00 0.00 C ATOM 488 O ILE A 35 -4.625 -2.156 -1.270 1.00 0.00 O ATOM 489 CB ILE A 35 -2.421 -3.903 -0.166 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.654 -5.202 0.136 1.00 0.00 C ATOM 491 CG2 ILE A 35 -1.915 -2.770 0.742 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.494 -5.532 1.619 1.00 0.00 C ATOM 0 H ILE A 35 -4.171 -4.413 -2.109 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.134 -4.579 0.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.219 -3.620 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.168 -6.031 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.663 -5.133 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.833 -2.683 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.382 -1.831 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.172 -2.992 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.941 -6.465 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.950 -4.728 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.478 -5.639 2.076 1.00 0.00 H new ATOM 504 N TYR A 36 -5.200 -2.294 0.899 1.00 0.00 N ATOM 505 CA TYR A 36 -6.075 -1.163 0.902 1.00 0.00 C ATOM 506 C TYR A 36 -5.625 -0.164 1.912 1.00 0.00 C ATOM 507 O TYR A 36 -5.042 -0.501 2.942 1.00 0.00 O ATOM 508 CB TYR A 36 -7.503 -1.648 1.213 1.00 0.00 C ATOM 509 CG TYR A 36 -8.526 -1.014 0.335 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.625 -1.390 -0.983 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.417 -0.098 0.846 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.616 -0.874 -1.785 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.414 0.415 0.051 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.514 0.028 -1.265 1.00 0.00 C ATOM 515 OH TYR A 36 -11.542 0.537 -2.087 1.00 0.00 O ATOM 0 H TYR A 36 -5.082 -2.716 1.820 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.060 -0.679 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.549 -2.731 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.738 -1.430 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.919 -2.097 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.333 0.219 1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.689 -1.176 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.120 1.123 0.460 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.094 1.162 -1.572 1.00 0.00 H new ATOM 525 N VAL A 37 -5.875 1.132 1.654 1.00 0.00 N ATOM 526 CA VAL A 37 -5.488 2.195 2.528 1.00 0.00 C ATOM 527 C VAL A 37 -6.439 2.330 3.667 1.00 0.00 C ATOM 528 O VAL A 37 -7.637 2.537 3.476 1.00 0.00 O ATOM 529 CB VAL A 37 -5.400 3.508 1.809 1.00 0.00 C ATOM 530 CG1 VAL A 37 -5.023 4.653 2.765 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.355 3.417 0.686 1.00 0.00 C ATOM 0 H VAL A 37 -6.360 1.449 0.814 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.499 1.936 2.907 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.382 3.724 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.969 5.589 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.779 4.739 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.054 4.444 3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.295 4.373 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.382 3.174 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.646 2.639 -0.020 1.00 0.00 H new ATOM 541 N LYS A 38 -5.942 2.277 4.916 1.00 0.00 N ATOM 542 CA LYS A 38 -6.739 2.532 6.075 1.00 0.00 C ATOM 543 C LYS A 38 -6.881 4.001 6.282 1.00 0.00 C ATOM 544 O LYS A 38 -7.978 4.551 6.201 1.00 0.00 O ATOM 545 CB LYS A 38 -6.170 1.868 7.341 1.00 0.00 C ATOM 546 CG LYS A 38 -7.154 1.856 8.513 1.00 0.00 C ATOM 547 CD LYS A 38 -6.573 1.355 9.837 1.00 0.00 C ATOM 548 CE LYS A 38 -7.672 1.152 10.883 1.00 0.00 C ATOM 549 NZ LYS A 38 -7.162 0.903 12.250 1.00 0.00 N ATOM 0 H LYS A 38 -4.969 2.053 5.124 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.719 2.089 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.882 0.843 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.264 2.393 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.534 2.867 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.006 1.230 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.045 0.415 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.841 2.071 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.311 2.035 10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.297 0.312 10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.963 0.776 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.575 0.044 12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.589 1.714 12.560 1.00 0.00 H new ATOM 563 N ALA A 39 -5.761 4.703 6.536 1.00 0.00 N ATOM 564 CA ALA A 39 -5.772 6.108 6.800 1.00 0.00 C ATOM 565 C ALA A 39 -4.414 6.668 6.549 1.00 0.00 C ATOM 566 O ALA A 39 -3.428 5.933 6.512 1.00 0.00 O ATOM 567 CB ALA A 39 -6.172 6.377 8.260 1.00 0.00 C ATOM 0 H ALA A 39 -4.830 4.286 6.558 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.499 6.585 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.175 7.451 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.168 5.974 8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.457 5.897 8.928 1.00 0.00 H new ATOM 573 N VAL A 40 -4.302 7.996 6.369 1.00 0.00 N ATOM 574 CA VAL A 40 -3.059 8.687 6.229 1.00 0.00 C ATOM 575 C VAL A 40 -2.587 9.193 7.549 1.00 0.00 C ATOM 576 O VAL A 40 -3.354 9.656 8.392 1.00 0.00 O ATOM 577 CB VAL A 40 -3.123 9.731 5.153 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.961 10.960 5.544 1.00 0.00 C ATOM 579 CG2 VAL A 40 -1.716 10.146 4.694 1.00 0.00 C ATOM 0 H VAL A 40 -5.112 8.614 6.319 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.299 7.983 5.889 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.639 9.265 4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.965 11.675 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.983 10.650 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.529 11.428 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.796 10.903 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.163 10.554 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.190 9.276 4.302 1.00 0.00 H new ATOM 589 N ILE A 41 -1.281 9.048 7.837 1.00 0.00 N ATOM 590 CA ILE A 41 -0.648 9.600 8.995 1.00 0.00 C ATOM 591 C ILE A 41 -0.247 11.003 8.694 1.00 0.00 C ATOM 592 O ILE A 41 0.483 11.181 7.720 1.00 0.00 O ATOM 593 CB ILE A 41 0.517 8.769 9.444 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.137 7.294 9.660 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.147 9.355 10.719 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.924 7.030 10.726 1.00 0.00 C ATOM 0 H ILE A 41 -0.640 8.525 7.239 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.353 9.598 9.827 1.00 0.00 H new ATOM 0 HB ILE A 41 1.253 8.797 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.218 6.887 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.038 6.742 9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.990 8.736 11.026 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.495 10.369 10.520 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.403 9.376 11.516 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.113 5.959 10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.571 7.397 11.690 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.846 7.545 10.457 1.00 0.00 H new ATOM 608 N PRO A 42 -0.607 12.050 9.376 1.00 0.00 N ATOM 609 CA PRO A 42 -0.308 13.391 8.965 1.00 0.00 C ATOM 610 C PRO A 42 1.074 13.840 9.291 1.00 0.00 C ATOM 611 O PRO A 42 1.303 15.028 9.515 1.00 0.00 O ATOM 612 CB PRO A 42 -1.363 14.228 9.686 1.00 0.00 C ATOM 613 CG PRO A 42 -1.589 13.465 11.001 1.00 0.00 C ATOM 614 CD PRO A 42 -1.496 12.006 10.527 1.00 0.00 C ATOM 0 HA PRO A 42 -0.340 13.486 7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.014 15.245 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.281 14.305 9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.832 13.703 11.749 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.558 13.691 11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.099 11.359 11.310 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.476 11.614 10.256 1.00 0.00 H new ATOM 622 N GLN A 43 2.064 12.929 9.288 1.00 0.00 N ATOM 623 CA GLN A 43 3.415 13.190 9.674 1.00 0.00 C ATOM 624 C GLN A 43 4.304 12.391 8.784 1.00 0.00 C ATOM 625 O GLN A 43 5.029 11.487 9.194 1.00 0.00 O ATOM 626 CB GLN A 43 3.593 12.850 11.163 1.00 0.00 C ATOM 627 CG GLN A 43 4.644 13.672 11.912 1.00 0.00 C ATOM 628 CD GLN A 43 6.081 13.344 11.534 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.796 14.167 10.963 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.537 12.116 11.901 1.00 0.00 N ATOM 0 H GLN A 43 1.913 11.962 9.002 1.00 0.00 H new ATOM 0 HA GLN A 43 3.676 14.242 9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.633 12.980 11.663 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.856 11.796 11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.463 14.730 11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.517 13.513 12.983 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.914 11.461 12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.502 11.851 11.704 1.00 0.00 H new ATOM 639 N GLY A 44 4.243 12.672 7.470 1.00 0.00 N ATOM 640 CA GLY A 44 5.057 11.990 6.513 1.00 0.00 C ATOM 641 C GLY A 44 4.884 12.609 5.169 1.00 0.00 C ATOM 642 O GLY A 44 3.977 13.411 4.957 1.00 0.00 O ATOM 0 H GLY A 44 3.625 13.377 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.104 12.037 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.784 10.935 6.475 1.00 0.00 H new ATOM 646 N ALA A 45 5.734 12.201 4.208 1.00 0.00 N ATOM 647 CA ALA A 45 5.778 12.637 2.847 1.00 0.00 C ATOM 648 C ALA A 45 4.471 12.641 2.131 1.00 0.00 C ATOM 649 O ALA A 45 4.173 13.561 1.371 1.00 0.00 O ATOM 650 CB ALA A 45 6.777 11.752 2.081 1.00 0.00 C ATOM 0 H ALA A 45 6.453 11.504 4.404 1.00 0.00 H new ATOM 0 HA ALA A 45 6.086 13.682 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.822 12.072 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.765 11.844 2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.452 10.713 2.127 1.00 0.00 H new ATOM 656 N ALA A 46 3.628 11.625 2.385 1.00 0.00 N ATOM 657 CA ALA A 46 2.292 11.494 1.891 1.00 0.00 C ATOM 658 C ALA A 46 1.409 12.669 2.137 1.00 0.00 C ATOM 659 O ALA A 46 0.726 13.134 1.227 1.00 0.00 O ATOM 660 CB ALA A 46 1.658 10.235 2.507 1.00 0.00 C ATOM 0 H ALA A 46 3.900 10.840 2.977 1.00 0.00 H new ATOM 0 HA ALA A 46 2.376 11.421 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.638 10.123 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.243 9.359 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.643 10.329 3.593 1.00 0.00 H new ATOM 666 N GLU A 47 1.380 13.210 3.368 1.00 0.00 N ATOM 667 CA GLU A 47 0.554 14.322 3.726 1.00 0.00 C ATOM 668 C GLU A 47 1.226 15.622 3.447 1.00 0.00 C ATOM 669 O GLU A 47 0.603 16.592 3.020 1.00 0.00 O ATOM 670 CB GLU A 47 0.114 14.195 5.194 1.00 0.00 C ATOM 671 CG GLU A 47 -1.254 14.801 5.515 1.00 0.00 C ATOM 672 CD GLU A 47 -1.276 16.315 5.671 1.00 0.00 C ATOM 673 OE1 GLU A 47 -0.433 16.872 6.423 1.00 0.00 O ATOM 674 OE2 GLU A 47 -2.181 16.962 5.078 1.00 0.00 O ATOM 0 H GLU A 47 1.950 12.863 4.139 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.340 14.307 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.099 13.139 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.863 14.673 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.950 14.524 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.624 14.352 6.437 1.00 0.00 H new ATOM 681 N SER A 48 2.558 15.685 3.620 1.00 0.00 N ATOM 682 CA SER A 48 3.386 16.803 3.290 1.00 0.00 C ATOM 683 C SER A 48 3.246 17.261 1.879 1.00 0.00 C ATOM 684 O SER A 48 2.949 18.427 1.624 1.00 0.00 O ATOM 685 CB SER A 48 4.884 16.524 3.494 1.00 0.00 C ATOM 686 OG SER A 48 5.162 16.214 4.852 1.00 0.00 O ATOM 0 H SER A 48 3.088 14.908 4.014 1.00 0.00 H new ATOM 0 HA SER A 48 3.032 17.573 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.194 15.695 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.465 17.395 3.189 1.00 0.00 H new ATOM 0 HG SER A 48 4.832 15.314 5.056 1.00 0.00 H new ATOM 692 N ASP A 49 3.433 16.358 0.900 1.00 0.00 N ATOM 693 CA ASP A 49 3.271 16.672 -0.486 1.00 0.00 C ATOM 694 C ASP A 49 1.830 16.655 -0.868 1.00 0.00 C ATOM 695 O ASP A 49 1.305 17.640 -1.382 1.00 0.00 O ATOM 696 CB ASP A 49 4.148 15.723 -1.320 1.00 0.00 C ATOM 697 CG ASP A 49 4.447 16.316 -2.689 1.00 0.00 C ATOM 698 OD1 ASP A 49 3.592 16.187 -3.607 1.00 0.00 O ATOM 699 OD2 ASP A 49 5.523 16.950 -2.851 1.00 0.00 O ATOM 0 H ASP A 49 3.702 15.390 1.075 1.00 0.00 H new ATOM 0 HA ASP A 49 3.610 17.688 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.082 15.528 -0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.642 14.765 -1.438 1.00 0.00 H new ATOM 704 N GLY A 50 1.115 15.549 -0.591 1.00 0.00 N ATOM 705 CA GLY A 50 -0.276 15.402 -0.883 1.00 0.00 C ATOM 706 C GLY A 50 -0.482 14.532 -2.076 1.00 0.00 C ATOM 707 O GLY A 50 -0.311 14.974 -3.212 1.00 0.00 O ATOM 0 H GLY A 50 1.522 14.726 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.789 14.972 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.719 16.382 -1.062 1.00 0.00 H new ATOM 711 N ARG A 51 -0.838 13.252 -1.873 1.00 0.00 N ATOM 712 CA ARG A 51 -0.731 12.261 -2.898 1.00 0.00 C ATOM 713 C ARG A 51 -1.865 11.296 -2.960 1.00 0.00 C ATOM 714 O ARG A 51 -2.337 10.974 -4.050 1.00 0.00 O ATOM 715 CB ARG A 51 0.616 11.532 -2.766 1.00 0.00 C ATOM 716 CG ARG A 51 1.421 11.508 -4.066 1.00 0.00 C ATOM 717 CD ARG A 51 2.110 12.832 -4.401 1.00 0.00 C ATOM 718 NE ARG A 51 1.887 13.095 -5.851 1.00 0.00 N ATOM 719 CZ ARG A 51 1.624 14.336 -6.355 1.00 0.00 C ATOM 720 NH1 ARG A 51 1.909 15.485 -5.674 1.00 0.00 N ATOM 721 NH2 ARG A 51 1.019 14.430 -7.574 1.00 0.00 N ATOM 0 H ARG A 51 -1.204 12.900 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.781 12.795 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.208 12.015 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.436 10.508 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.176 10.725 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.756 11.239 -4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.701 13.642 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.176 12.777 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 51 1.933 12.309 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.336 15.437 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.695 16.391 -6.090 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.773 13.584 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.812 15.346 -7.971 1.00 0.00 H new ATOM 735 N ILE A 52 -2.354 10.772 -1.822 1.00 0.00 N ATOM 736 CA ILE A 52 -3.271 9.675 -1.776 1.00 0.00 C ATOM 737 C ILE A 52 -4.423 10.064 -0.915 1.00 0.00 C ATOM 738 O ILE A 52 -4.423 11.134 -0.308 1.00 0.00 O ATOM 739 CB ILE A 52 -2.683 8.389 -1.277 1.00 0.00 C ATOM 740 CG1 ILE A 52 -1.161 8.248 -1.454 1.00 0.00 C ATOM 741 CG2 ILE A 52 -3.342 7.208 -2.012 1.00 0.00 C ATOM 742 CD1 ILE A 52 -0.331 8.835 -0.314 1.00 0.00 C ATOM 0 H ILE A 52 -2.101 11.125 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.575 9.476 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.879 8.390 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.917 7.191 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.870 8.734 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.916 6.272 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.415 7.215 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.161 7.300 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.729 8.690 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.541 9.901 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.588 8.333 0.619 1.00 0.00 H new ATOM 754 N HIS A 53 -5.473 9.230 -0.813 1.00 0.00 N ATOM 755 CA HIS A 53 -6.532 9.396 0.133 1.00 0.00 C ATOM 756 C HIS A 53 -6.804 8.114 0.844 1.00 0.00 C ATOM 757 O HIS A 53 -6.416 7.035 0.398 1.00 0.00 O ATOM 758 CB HIS A 53 -7.834 9.845 -0.553 1.00 0.00 C ATOM 759 CG HIS A 53 -7.748 11.210 -1.170 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.529 12.224 -0.654 1.00 0.00 N ATOM 761 CD2 HIS A 53 -7.054 11.657 -2.250 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.282 13.278 -1.410 1.00 0.00 C ATOM 763 NE2 HIS A 53 -7.400 12.984 -2.403 1.00 0.00 N ATOM 0 H HIS A 53 -5.589 8.411 -1.410 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.210 10.162 0.839 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -8.096 9.122 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.642 9.836 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.371 11.089 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.725 14.251 -1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.060 13.622 -3.122 1.00 0.00 H new ATOM 771 N LYS A 54 -7.495 8.170 1.996 1.00 0.00 N ATOM 772 CA LYS A 54 -8.049 7.028 2.654 1.00 0.00 C ATOM 773 C LYS A 54 -8.990 6.227 1.821 1.00 0.00 C ATOM 774 O LYS A 54 -9.834 6.753 1.097 1.00 0.00 O ATOM 775 CB LYS A 54 -8.682 7.341 4.019 1.00 0.00 C ATOM 776 CG LYS A 54 -9.884 8.288 3.996 1.00 0.00 C ATOM 777 CD LYS A 54 -10.502 8.528 5.376 1.00 0.00 C ATOM 778 CE LYS A 54 -11.441 7.415 5.843 1.00 0.00 C ATOM 779 NZ LYS A 54 -11.982 7.679 7.195 1.00 0.00 N ATOM 0 H LYS A 54 -7.675 9.045 2.488 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.171 6.406 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.992 6.402 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.916 7.773 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.574 9.244 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.646 7.879 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.701 8.642 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.052 9.469 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.264 7.315 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.905 6.466 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.614 6.901 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.198 7.750 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.515 8.572 7.187 1.00 0.00 H new ATOM 793 N GLY A 55 -8.866 4.889 1.879 1.00 0.00 N ATOM 794 CA GLY A 55 -9.697 3.979 1.154 1.00 0.00 C ATOM 795 C GLY A 55 -9.436 3.846 -0.307 1.00 0.00 C ATOM 796 O GLY A 55 -10.308 3.384 -1.040 1.00 0.00 O ATOM 0 H GLY A 55 -8.161 4.424 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.597 2.993 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.734 4.287 1.287 1.00 0.00 H new ATOM 800 N ASP A 56 -8.229 4.221 -0.769 1.00 0.00 N ATOM 801 CA ASP A 56 -7.728 3.937 -2.077 1.00 0.00 C ATOM 802 C ASP A 56 -7.123 2.579 -2.167 1.00 0.00 C ATOM 803 O ASP A 56 -6.968 1.888 -1.161 1.00 0.00 O ATOM 804 CB ASP A 56 -6.695 5.011 -2.459 1.00 0.00 C ATOM 805 CG ASP A 56 -7.322 6.301 -2.970 1.00 0.00 C ATOM 806 OD1 ASP A 56 -8.550 6.361 -3.247 1.00 0.00 O ATOM 807 OD2 ASP A 56 -6.540 7.267 -3.180 1.00 0.00 O ATOM 0 H ASP A 56 -7.569 4.750 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.565 3.954 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.078 5.236 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.032 4.610 -3.226 1.00 0.00 H new ATOM 812 N ARG A 57 -6.755 2.130 -3.381 1.00 0.00 N ATOM 813 CA ARG A 57 -6.093 0.878 -3.576 1.00 0.00 C ATOM 814 C ARG A 57 -4.806 1.040 -4.311 1.00 0.00 C ATOM 815 O ARG A 57 -4.724 1.699 -5.346 1.00 0.00 O ATOM 816 CB ARG A 57 -6.957 -0.211 -4.234 1.00 0.00 C ATOM 817 CG ARG A 57 -7.197 -0.185 -5.745 1.00 0.00 C ATOM 818 CD ARG A 57 -7.907 -1.436 -6.268 1.00 0.00 C ATOM 819 NE ARG A 57 -8.028 -1.355 -7.750 1.00 0.00 N ATOM 820 CZ ARG A 57 -7.500 -2.240 -8.646 1.00 0.00 C ATOM 821 NH1 ARG A 57 -6.725 -3.312 -8.309 1.00 0.00 N ATOM 822 NH2 ARG A 57 -7.737 -2.060 -9.978 1.00 0.00 N ATOM 0 H ARG A 57 -6.921 2.648 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.885 0.522 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.505 -1.173 -3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.933 -0.188 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.792 0.693 -5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.240 -0.079 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.349 -2.329 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.895 -1.522 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.553 -0.567 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.505 -3.495 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.366 -3.930 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.302 -1.272 -10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.349 -2.714 -10.658 1.00 0.00 H new ATOM 836 N VAL A 58 -3.718 0.412 -3.831 1.00 0.00 N ATOM 837 CA VAL A 58 -2.506 0.284 -4.580 1.00 0.00 C ATOM 838 C VAL A 58 -2.610 -0.822 -5.572 1.00 0.00 C ATOM 839 O VAL A 58 -3.443 -1.719 -5.459 1.00 0.00 O ATOM 840 CB VAL A 58 -1.293 0.057 -3.726 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.052 1.294 -2.846 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.422 -1.222 -2.882 1.00 0.00 C ATOM 0 H VAL A 58 -3.679 -0.015 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.377 1.240 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.429 -0.089 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.171 1.132 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.893 2.166 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.920 1.462 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.524 -1.351 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.291 -1.141 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.543 -2.082 -3.541 1.00 0.00 H new ATOM 852 N LEU A 59 -1.769 -0.798 -6.622 1.00 0.00 N ATOM 853 CA LEU A 59 -1.770 -1.789 -7.652 1.00 0.00 C ATOM 854 C LEU A 59 -0.425 -2.427 -7.727 1.00 0.00 C ATOM 855 O LEU A 59 -0.228 -3.534 -7.226 1.00 0.00 O ATOM 856 CB LEU A 59 -2.249 -1.166 -8.975 1.00 0.00 C ATOM 857 CG LEU A 59 -2.713 -2.149 -10.063 1.00 0.00 C ATOM 858 CD1 LEU A 59 -3.705 -1.452 -11.009 1.00 0.00 C ATOM 859 CD2 LEU A 59 -1.563 -2.747 -10.892 1.00 0.00 C ATOM 0 H LEU A 59 -1.069 -0.069 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.476 -2.588 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.072 -0.486 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.438 -0.563 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.188 -2.977 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.030 -2.154 -11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.570 -1.110 -10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.219 -0.598 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.969 -3.430 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.019 -1.945 -11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.884 -3.290 -10.234 1.00 0.00 H new ATOM 871 N ALA A 60 0.557 -1.788 -8.385 1.00 0.00 N ATOM 872 CA ALA A 60 1.902 -2.267 -8.475 1.00 0.00 C ATOM 873 C ALA A 60 2.842 -1.583 -7.542 1.00 0.00 C ATOM 874 O ALA A 60 2.679 -0.408 -7.218 1.00 0.00 O ATOM 875 CB ALA A 60 2.410 -2.169 -9.923 1.00 0.00 C ATOM 0 H ALA A 60 0.410 -0.904 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 60 1.877 -3.312 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.435 -2.537 -9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.775 -2.771 -10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.381 -1.129 -10.249 1.00 0.00 H new ATOM 881 N VAL A 61 3.892 -2.304 -7.109 1.00 0.00 N ATOM 882 CA VAL A 61 4.989 -1.818 -6.329 1.00 0.00 C ATOM 883 C VAL A 61 6.216 -1.850 -7.172 1.00 0.00 C ATOM 884 O VAL A 61 6.779 -2.897 -7.489 1.00 0.00 O ATOM 885 CB VAL A 61 5.117 -2.534 -5.017 1.00 0.00 C ATOM 886 CG1 VAL A 61 5.197 -4.064 -5.151 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.294 -1.988 -4.190 1.00 0.00 C ATOM 0 H VAL A 61 3.980 -3.298 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 61 4.813 -0.783 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 61 4.191 -2.328 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.288 -4.512 -4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.293 -4.435 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.066 -4.332 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.357 -2.529 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.222 -2.120 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.138 -0.928 -3.991 1.00 0.00 H new ATOM 897 N ASN A 62 6.643 -0.676 -7.670 1.00 0.00 N ATOM 898 CA ASN A 62 7.760 -0.468 -8.540 1.00 0.00 C ATOM 899 C ASN A 62 7.750 -1.229 -9.820 1.00 0.00 C ATOM 900 O ASN A 62 8.768 -1.712 -10.314 1.00 0.00 O ATOM 901 CB ASN A 62 9.123 -0.299 -7.846 1.00 0.00 C ATOM 902 CG ASN A 62 9.605 -1.512 -7.064 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.112 -2.492 -7.607 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.523 -1.433 -5.708 1.00 0.00 N ATOM 0 H ASN A 62 6.168 0.198 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 62 7.578 0.542 -8.908 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.870 -0.053 -8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.064 0.552 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.884 -2.192 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.100 -0.615 -5.269 1.00 0.00 H new ATOM 911 N GLY A 63 6.555 -1.353 -10.425 1.00 0.00 N ATOM 912 CA GLY A 63 6.315 -2.020 -11.667 1.00 0.00 C ATOM 913 C GLY A 63 5.704 -3.370 -11.507 1.00 0.00 C ATOM 914 O GLY A 63 5.052 -3.870 -12.422 1.00 0.00 O ATOM 0 H GLY A 63 5.704 -0.963 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.659 -1.403 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.257 -2.118 -12.206 1.00 0.00 H new ATOM 918 N VAL A 64 5.907 -4.010 -10.342 1.00 0.00 N ATOM 919 CA VAL A 64 5.581 -5.380 -10.093 1.00 0.00 C ATOM 920 C VAL A 64 4.306 -5.492 -9.331 1.00 0.00 C ATOM 921 O VAL A 64 4.074 -4.774 -8.360 1.00 0.00 O ATOM 922 CB VAL A 64 6.684 -6.061 -9.337 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.526 -7.588 -9.428 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.054 -5.647 -9.901 1.00 0.00 C ATOM 0 H VAL A 64 6.320 -3.548 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 64 5.458 -5.872 -11.058 1.00 0.00 H new ATOM 0 HB VAL A 64 6.625 -5.757 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.332 -8.071 -8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.567 -7.881 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.567 -7.896 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.844 -6.149 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.116 -5.931 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.174 -4.568 -9.809 1.00 0.00 H new ATOM 934 N SER A 65 3.388 -6.395 -9.723 1.00 0.00 N ATOM 935 CA SER A 65 2.162 -6.633 -9.028 1.00 0.00 C ATOM 936 C SER A 65 2.338 -7.454 -7.796 1.00 0.00 C ATOM 937 O SER A 65 3.340 -8.142 -7.606 1.00 0.00 O ATOM 938 CB SER A 65 1.098 -7.290 -9.924 1.00 0.00 C ATOM 939 OG SER A 65 1.572 -8.494 -10.510 1.00 0.00 O ATOM 0 H SER A 65 3.504 -6.978 -10.552 1.00 0.00 H new ATOM 0 HA SER A 65 1.815 -5.643 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.205 -7.500 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.805 -6.594 -10.710 1.00 0.00 H new ATOM 0 HG SER A 65 0.869 -8.884 -11.071 1.00 0.00 H new ATOM 945 N LEU A 66 1.374 -7.399 -6.860 1.00 0.00 N ATOM 946 CA LEU A 66 1.456 -8.093 -5.612 1.00 0.00 C ATOM 947 C LEU A 66 0.816 -9.437 -5.573 1.00 0.00 C ATOM 948 O LEU A 66 1.066 -10.214 -4.652 1.00 0.00 O ATOM 949 CB LEU A 66 0.903 -7.247 -4.454 1.00 0.00 C ATOM 950 CG LEU A 66 -0.620 -7.128 -4.274 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.889 -6.281 -3.018 1.00 0.00 C ATOM 952 CD2 LEU A 66 -1.370 -6.506 -5.464 1.00 0.00 C ATOM 0 H LEU A 66 0.516 -6.859 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 66 2.527 -8.261 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.313 -7.650 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.300 -6.238 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.000 -8.146 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.964 -6.182 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.446 -6.768 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.448 -5.292 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.436 -6.465 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.998 -5.497 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.208 -7.114 -6.354 1.00 0.00 H new ATOM 964 N GLU A 67 -0.034 -9.790 -6.554 1.00 0.00 N ATOM 965 CA GLU A 67 -0.901 -10.926 -6.503 1.00 0.00 C ATOM 966 C GLU A 67 -0.241 -12.231 -6.220 1.00 0.00 C ATOM 967 O GLU A 67 0.756 -12.600 -6.837 1.00 0.00 O ATOM 968 CB GLU A 67 -1.696 -11.101 -7.808 1.00 0.00 C ATOM 969 CG GLU A 67 -2.528 -9.891 -8.238 1.00 0.00 C ATOM 970 CD GLU A 67 -3.380 -10.274 -9.440 1.00 0.00 C ATOM 971 OE1 GLU A 67 -2.824 -10.898 -10.383 1.00 0.00 O ATOM 972 OE2 GLU A 67 -4.607 -9.991 -9.429 1.00 0.00 O ATOM 0 H GLU A 67 -0.121 -9.260 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.549 -10.688 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.998 -11.343 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.362 -11.957 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.164 -9.561 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.875 -9.056 -8.491 1.00 0.00 H new ATOM 979 N GLY A 68 -0.777 -12.975 -5.236 1.00 0.00 N ATOM 980 CA GLY A 68 -0.217 -14.203 -4.762 1.00 0.00 C ATOM 981 C GLY A 68 0.159 -14.103 -3.323 1.00 0.00 C ATOM 982 O GLY A 68 0.215 -15.105 -2.613 1.00 0.00 O ATOM 0 H GLY A 68 -1.635 -12.711 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.937 -15.010 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.662 -14.457 -5.354 1.00 0.00 H new ATOM 986 N ALA A 69 0.469 -12.878 -2.863 1.00 0.00 N ATOM 987 CA ALA A 69 0.918 -12.564 -1.541 1.00 0.00 C ATOM 988 C ALA A 69 -0.135 -12.539 -0.488 1.00 0.00 C ATOM 989 O ALA A 69 -1.255 -12.082 -0.713 1.00 0.00 O ATOM 990 CB ALA A 69 1.560 -11.167 -1.588 1.00 0.00 C ATOM 0 H ALA A 69 0.401 -12.051 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 69 1.603 -13.364 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.914 -10.896 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.400 -11.176 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.821 -10.438 -1.921 1.00 0.00 H new ATOM 996 N THR A 70 0.205 -12.975 0.737 1.00 0.00 N ATOM 997 CA THR A 70 -0.465 -12.567 1.933 1.00 0.00 C ATOM 998 C THR A 70 0.217 -11.361 2.478 1.00 0.00 C ATOM 999 O THR A 70 1.182 -10.848 1.913 1.00 0.00 O ATOM 1000 CB THR A 70 -0.566 -13.610 3.007 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.695 -14.078 3.463 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.375 -14.824 2.516 1.00 0.00 C ATOM 0 H THR A 70 0.969 -13.631 0.901 1.00 0.00 H new ATOM 0 HA THR A 70 -1.494 -12.363 1.639 1.00 0.00 H new ATOM 0 HB THR A 70 -1.067 -13.116 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.561 -14.752 4.161 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.435 -15.567 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.380 -14.504 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.883 -15.261 1.647 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.264 -10.831 3.617 1.00 0.00 N ATOM 1011 CA HIS A 71 0.125 -9.563 4.155 1.00 0.00 C ATOM 1012 C HIS A 71 1.572 -9.426 4.487 1.00 0.00 C ATOM 1013 O HIS A 71 2.192 -8.427 4.125 1.00 0.00 O ATOM 1014 CB HIS A 71 -0.771 -9.191 5.347 1.00 0.00 C ATOM 1015 CG HIS A 71 -0.730 -7.746 5.750 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.601 -6.712 4.845 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -0.951 -7.153 6.953 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.730 -5.553 5.544 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -0.937 -5.779 6.829 1.00 0.00 N ATOM 0 H HIS A 71 -0.958 -11.310 4.191 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.025 -8.847 3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.800 -9.455 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.480 -9.799 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.115 -7.684 7.879 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.671 -4.569 5.103 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.060 -5.088 7.569 1.00 0.00 H new ATOM 1027 N LYS A 72 2.200 -10.422 5.135 1.00 0.00 N ATOM 1028 CA LYS A 72 3.595 -10.410 5.452 1.00 0.00 C ATOM 1029 C LYS A 72 4.498 -10.296 4.272 1.00 0.00 C ATOM 1030 O LYS A 72 5.526 -9.622 4.317 1.00 0.00 O ATOM 1031 CB LYS A 72 3.974 -11.627 6.312 1.00 0.00 C ATOM 1032 CG LYS A 72 5.438 -11.711 6.751 1.00 0.00 C ATOM 1033 CD LYS A 72 5.961 -10.547 7.596 1.00 0.00 C ATOM 1034 CE LYS A 72 5.426 -10.447 9.026 1.00 0.00 C ATOM 1035 NZ LYS A 72 5.918 -11.561 9.867 1.00 0.00 N ATOM 0 H LYS A 72 1.721 -11.266 5.450 1.00 0.00 H new ATOM 0 HA LYS A 72 3.750 -9.496 6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.348 -11.625 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.731 -12.531 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.573 -12.632 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.059 -11.792 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.048 -10.620 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.726 -9.617 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.731 -9.497 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.336 -10.456 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.551 -11.454 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.592 -12.465 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.958 -11.547 9.888 1.00 0.00 H new ATOM 1049 N GLN A 73 4.128 -10.891 3.124 1.00 0.00 N ATOM 1050 CA GLN A 73 4.914 -10.847 1.930 1.00 0.00 C ATOM 1051 C GLN A 73 4.891 -9.486 1.324 1.00 0.00 C ATOM 1052 O GLN A 73 5.908 -8.918 0.931 1.00 0.00 O ATOM 1053 CB GLN A 73 4.381 -11.898 0.943 1.00 0.00 C ATOM 1054 CG GLN A 73 5.389 -12.599 0.030 1.00 0.00 C ATOM 1055 CD GLN A 73 6.317 -11.669 -0.739 1.00 0.00 C ATOM 1056 OE1 GLN A 73 5.961 -11.102 -1.771 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.572 -11.524 -0.238 1.00 0.00 N ATOM 0 H GLN A 73 3.260 -11.416 3.023 1.00 0.00 H new ATOM 0 HA GLN A 73 5.952 -11.073 2.174 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.862 -12.664 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.636 -11.415 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.995 -13.274 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.842 -13.214 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.838 -12.007 0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.248 -10.932 -0.720 1.00 0.00 H new ATOM 1066 N ALA A 74 3.701 -8.861 1.278 1.00 0.00 N ATOM 1067 CA ALA A 74 3.495 -7.534 0.783 1.00 0.00 C ATOM 1068 C ALA A 74 4.190 -6.469 1.558 1.00 0.00 C ATOM 1069 O ALA A 74 4.797 -5.571 0.975 1.00 0.00 O ATOM 1070 CB ALA A 74 1.984 -7.247 0.731 1.00 0.00 C ATOM 0 H ALA A 74 2.840 -9.302 1.602 1.00 0.00 H new ATOM 0 HA ALA A 74 3.939 -7.503 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.818 -6.238 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.500 -7.965 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.562 -7.335 1.732 1.00 0.00 H new ATOM 1076 N VAL A 75 4.165 -6.514 2.901 1.00 0.00 N ATOM 1077 CA VAL A 75 4.764 -5.506 3.722 1.00 0.00 C ATOM 1078 C VAL A 75 6.251 -5.458 3.649 1.00 0.00 C ATOM 1079 O VAL A 75 6.831 -4.379 3.545 1.00 0.00 O ATOM 1080 CB VAL A 75 4.296 -5.489 5.147 1.00 0.00 C ATOM 1081 CG1 VAL A 75 2.766 -5.322 5.167 1.00 0.00 C ATOM 1082 CG2 VAL A 75 4.713 -6.739 5.940 1.00 0.00 C ATOM 0 H VAL A 75 3.720 -7.265 3.429 1.00 0.00 H new ATOM 0 HA VAL A 75 4.392 -4.588 3.267 1.00 0.00 H new ATOM 0 HB VAL A 75 4.779 -4.647 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.415 -5.308 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.496 -4.385 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.302 -6.154 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.342 -6.662 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.292 -7.627 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.800 -6.816 5.953 1.00 0.00 H new ATOM 1092 N GLU A 76 6.945 -6.611 3.633 1.00 0.00 N ATOM 1093 CA GLU A 76 8.368 -6.670 3.508 1.00 0.00 C ATOM 1094 C GLU A 76 8.851 -6.233 2.168 1.00 0.00 C ATOM 1095 O GLU A 76 9.939 -5.674 2.045 1.00 0.00 O ATOM 1096 CB GLU A 76 8.915 -8.074 3.814 1.00 0.00 C ATOM 1097 CG GLU A 76 8.711 -8.556 5.251 1.00 0.00 C ATOM 1098 CD GLU A 76 9.431 -7.740 6.315 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.673 -7.545 6.220 1.00 0.00 O ATOM 1100 OE2 GLU A 76 8.764 -7.315 7.295 1.00 0.00 O ATOM 0 H GLU A 76 6.504 -7.527 3.709 1.00 0.00 H new ATOM 0 HA GLU A 76 8.750 -5.969 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.441 -8.786 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.982 -8.087 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.644 -8.550 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.045 -9.591 5.321 1.00 0.00 H new ATOM 1107 N THR A 77 8.038 -6.407 1.111 1.00 0.00 N ATOM 1108 CA THR A 77 8.323 -5.993 -0.228 1.00 0.00 C ATOM 1109 C THR A 77 8.594 -4.532 -0.332 1.00 0.00 C ATOM 1110 O THR A 77 9.607 -4.112 -0.888 1.00 0.00 O ATOM 1111 CB THR A 77 7.243 -6.331 -1.213 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.996 -7.729 -1.260 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.654 -5.952 -2.646 1.00 0.00 C ATOM 0 H THR A 77 7.130 -6.863 1.196 1.00 0.00 H new ATOM 0 HA THR A 77 9.219 -6.559 -0.483 1.00 0.00 H new ATOM 0 HB THR A 77 6.365 -5.778 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.637 -8.027 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.850 -6.210 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.847 -4.880 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.557 -6.497 -2.922 1.00 0.00 H new ATOM 1121 N LEU A 78 7.713 -3.679 0.219 1.00 0.00 N ATOM 1122 CA LEU A 78 7.887 -2.262 0.164 1.00 0.00 C ATOM 1123 C LEU A 78 8.840 -1.757 1.192 1.00 0.00 C ATOM 1124 O LEU A 78 9.606 -0.830 0.935 1.00 0.00 O ATOM 1125 CB LEU A 78 6.530 -1.540 0.235 1.00 0.00 C ATOM 1126 CG LEU A 78 6.406 -0.263 -0.614 1.00 0.00 C ATOM 1127 CD1 LEU A 78 4.927 0.065 -0.879 1.00 0.00 C ATOM 1128 CD2 LEU A 78 7.081 0.971 0.007 1.00 0.00 C ATOM 0 H LEU A 78 6.869 -3.977 0.709 1.00 0.00 H new ATOM 0 HA LEU A 78 8.340 -2.033 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.752 -2.237 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.331 -1.283 1.275 1.00 0.00 H new ATOM 0 HG LEU A 78 6.931 -0.483 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.857 0.971 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.461 -0.763 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.413 0.219 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.949 1.829 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.628 1.185 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.145 0.776 0.139 1.00 0.00 H new ATOM 1140 N ARG A 79 8.902 -2.361 2.392 1.00 0.00 N ATOM 1141 CA ARG A 79 9.846 -1.979 3.397 1.00 0.00 C ATOM 1142 C ARG A 79 11.273 -2.139 2.997 1.00 0.00 C ATOM 1143 O ARG A 79 12.113 -1.319 3.365 1.00 0.00 O ATOM 1144 CB ARG A 79 9.561 -2.680 4.736 1.00 0.00 C ATOM 1145 CG ARG A 79 8.435 -2.016 5.530 1.00 0.00 C ATOM 1146 CD ARG A 79 8.142 -2.710 6.862 1.00 0.00 C ATOM 1147 NE ARG A 79 7.298 -1.787 7.671 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.155 -1.908 9.023 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.635 -2.966 9.740 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.543 -0.911 9.727 1.00 0.00 N ATOM 0 H ARG A 79 8.288 -3.126 2.669 1.00 0.00 H new ATOM 0 HA ARG A 79 9.701 -0.906 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.300 -3.721 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.469 -2.684 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.699 -0.976 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.528 -2.009 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.626 -3.656 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.069 -2.941 7.386 1.00 0.00 H new ATOM 0 HE ARG A 79 6.806 -1.032 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.131 -3.721 9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.498 -3.002 10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.196 -0.083 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.432 -0.994 10.738 1.00 0.00 H new ATOM 1164 N ASN A 80 11.614 -3.129 2.155 1.00 0.00 N ATOM 1165 CA ASN A 80 12.914 -3.232 1.568 1.00 0.00 C ATOM 1166 C ASN A 80 13.050 -2.430 0.319 1.00 0.00 C ATOM 1167 O ASN A 80 13.475 -2.927 -0.724 1.00 0.00 O ATOM 1168 CB ASN A 80 13.296 -4.692 1.275 1.00 0.00 C ATOM 1169 CG ASN A 80 13.523 -5.513 2.537 1.00 0.00 C ATOM 1170 OD1 ASN A 80 12.837 -6.498 2.808 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.557 -5.138 3.335 1.00 0.00 N ATOM 0 H ASN A 80 10.975 -3.873 1.876 1.00 0.00 H new ATOM 0 HA ASN A 80 13.599 -2.824 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.507 -5.156 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.202 -4.710 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 80 14.775 -5.676 4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.115 -4.319 3.095 1.00 0.00 H new ATOM 1178 N THR A 81 12.695 -1.134 0.375 1.00 0.00 N ATOM 1179 CA THR A 81 12.999 -0.147 -0.614 1.00 0.00 C ATOM 1180 C THR A 81 13.986 0.838 -0.087 1.00 0.00 C ATOM 1181 O THR A 81 15.154 0.836 -0.474 1.00 0.00 O ATOM 1182 CB THR A 81 11.818 0.560 -1.211 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.944 1.110 -0.236 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.994 -0.425 -2.057 1.00 0.00 C ATOM 0 H THR A 81 12.164 -0.753 1.158 1.00 0.00 H new ATOM 0 HA THR A 81 13.430 -0.711 -1.441 1.00 0.00 H new ATOM 0 HB THR A 81 12.227 1.373 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.540 0.386 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.138 0.094 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.616 -0.826 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.643 -1.242 -1.426 1.00 0.00 H new ATOM 1192 N GLY A 82 13.557 1.747 0.805 1.00 0.00 N ATOM 1193 CA GLY A 82 14.416 2.648 1.509 1.00 0.00 C ATOM 1194 C GLY A 82 14.340 4.047 1.004 1.00 0.00 C ATOM 1195 O GLY A 82 13.661 4.896 1.580 1.00 0.00 O ATOM 0 H GLY A 82 12.572 1.859 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.155 2.636 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.444 2.296 1.430 1.00 0.00 H new ATOM 1199 N GLN A 83 15.086 4.346 -0.075 1.00 0.00 N ATOM 1200 CA GLN A 83 15.230 5.656 -0.632 1.00 0.00 C ATOM 1201 C GLN A 83 14.124 6.079 -1.537 1.00 0.00 C ATOM 1202 O GLN A 83 13.571 7.171 -1.411 1.00 0.00 O ATOM 1203 CB GLN A 83 16.592 5.724 -1.343 1.00 0.00 C ATOM 1204 CG GLN A 83 16.992 7.106 -1.862 1.00 0.00 C ATOM 1205 CD GLN A 83 18.393 7.070 -2.456 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.135 6.095 -2.344 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.788 8.173 -3.147 1.00 0.00 N ATOM 0 H GLN A 83 15.615 3.638 -0.584 1.00 0.00 H new ATOM 0 HA GLN A 83 15.178 6.368 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.361 5.377 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.580 5.029 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.279 7.437 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.954 7.831 -1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.162 8.974 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.711 8.200 -3.581 1.00 0.00 H new ATOM 1216 N VAL A 84 13.781 5.241 -2.531 1.00 0.00 N ATOM 1217 CA VAL A 84 12.955 5.602 -3.640 1.00 0.00 C ATOM 1218 C VAL A 84 11.589 5.023 -3.500 1.00 0.00 C ATOM 1219 O VAL A 84 11.418 3.875 -3.096 1.00 0.00 O ATOM 1220 CB VAL A 84 13.586 5.160 -4.928 1.00 0.00 C ATOM 1221 CG1 VAL A 84 12.761 5.595 -6.151 1.00 0.00 C ATOM 1222 CG2 VAL A 84 14.992 5.772 -5.047 1.00 0.00 C ATOM 0 H VAL A 84 14.093 4.270 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 84 12.860 6.688 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 84 13.634 4.071 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 84 13.254 5.255 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.764 5.157 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.679 6.682 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 84 15.451 5.451 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.918 6.859 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.605 5.440 -4.210 1.00 0.00 H new ATOM 1232 N VAL A 85 10.537 5.799 -3.817 1.00 0.00 N ATOM 1233 CA VAL A 85 9.168 5.447 -3.598 1.00 0.00 C ATOM 1234 C VAL A 85 8.415 5.441 -4.882 1.00 0.00 C ATOM 1235 O VAL A 85 7.858 6.453 -5.305 1.00 0.00 O ATOM 1236 CB VAL A 85 8.482 6.386 -2.649 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.240 5.702 -2.055 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.427 6.840 -1.523 1.00 0.00 C ATOM 0 H VAL A 85 10.647 6.717 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 85 9.175 4.450 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 85 8.181 7.274 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.743 6.385 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.554 5.433 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.542 4.802 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.897 7.519 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.768 5.970 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.287 7.353 -1.954 1.00 0.00 H new ATOM 1248 N HIS A 86 8.353 4.302 -5.595 1.00 0.00 N ATOM 1249 CA HIS A 86 7.658 4.226 -6.843 1.00 0.00 C ATOM 1250 C HIS A 86 6.556 3.224 -6.793 1.00 0.00 C ATOM 1251 O HIS A 86 6.787 2.050 -6.508 1.00 0.00 O ATOM 1252 CB HIS A 86 8.653 3.863 -7.958 1.00 0.00 C ATOM 1253 CG HIS A 86 8.225 4.221 -9.351 1.00 0.00 C ATOM 1254 ND1 HIS A 86 9.135 4.003 -10.365 1.00 0.00 N ATOM 1255 CD2 HIS A 86 7.107 4.818 -9.843 1.00 0.00 C ATOM 1256 CE1 HIS A 86 8.569 4.481 -11.458 1.00 0.00 C ATOM 1257 NE2 HIS A 86 7.332 4.981 -11.194 1.00 0.00 N ATOM 0 H HIS A 86 8.788 3.427 -5.304 1.00 0.00 H new ATOM 0 HA HIS A 86 7.211 5.198 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.601 4.359 -7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.839 2.790 -7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.225 5.105 -9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.029 4.476 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.691 5.398 -11.869 1.00 0.00 H new ATOM 1265 N LEU A 87 5.303 3.647 -7.034 1.00 0.00 N ATOM 1266 CA LEU A 87 4.180 2.763 -7.037 1.00 0.00 C ATOM 1267 C LEU A 87 3.104 3.221 -7.961 1.00 0.00 C ATOM 1268 O LEU A 87 3.088 4.359 -8.429 1.00 0.00 O ATOM 1269 CB LEU A 87 3.632 2.458 -5.632 1.00 0.00 C ATOM 1270 CG LEU A 87 3.074 3.636 -4.815 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.116 3.102 -3.736 1.00 0.00 C ATOM 1272 CD2 LEU A 87 4.162 4.488 -4.141 1.00 0.00 C ATOM 0 H LEU A 87 5.065 4.619 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 87 4.560 1.816 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.841 1.715 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.431 1.996 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 87 2.555 4.284 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.720 3.936 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.294 2.568 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.655 2.424 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.695 5.299 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.742 3.865 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.822 4.904 -4.902 1.00 0.00 H new ATOM 1284 N LEU A 88 2.142 2.330 -8.263 1.00 0.00 N ATOM 1285 CA LEU A 88 1.006 2.597 -9.090 1.00 0.00 C ATOM 1286 C LEU A 88 -0.217 2.329 -8.281 1.00 0.00 C ATOM 1287 O LEU A 88 -0.272 1.355 -7.532 1.00 0.00 O ATOM 1288 CB LEU A 88 0.983 1.685 -10.328 1.00 0.00 C ATOM 1289 CG LEU A 88 1.801 2.226 -11.512 1.00 0.00 C ATOM 1290 CD1 LEU A 88 2.241 1.094 -12.456 1.00 0.00 C ATOM 1291 CD2 LEU A 88 0.980 3.261 -12.301 1.00 0.00 C ATOM 0 H LEU A 88 2.158 1.373 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 88 1.050 3.631 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.367 0.703 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.050 1.545 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 88 2.693 2.701 -11.104 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.817 1.512 -13.282 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.857 0.382 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.361 0.585 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.572 3.635 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.072 2.792 -12.681 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.713 4.090 -11.645 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.233 3.204 -8.387 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.389 3.179 -7.547 1.00 0.00 C ATOM 1305 C LEU A 89 -3.623 3.369 -8.359 1.00 0.00 C ATOM 1306 O LEU A 89 -3.589 3.923 -9.457 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.391 4.307 -6.500 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.130 4.445 -5.631 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.058 5.322 -6.299 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.511 5.096 -4.291 1.00 0.00 C ATOM 0 H LEU A 89 -1.250 3.953 -9.080 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.366 2.210 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.552 5.252 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.245 4.156 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.720 3.445 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.814 5.390 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.234 4.878 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.461 6.320 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.621 5.197 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.939 6.081 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.243 4.472 -3.778 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.785 2.937 -7.836 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.058 3.256 -8.402 1.00 0.00 C ATOM 1324 C GLU A 90 -6.839 4.000 -7.373 1.00 0.00 C ATOM 1325 O GLU A 90 -6.693 3.806 -6.167 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.786 1.986 -8.871 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.103 2.229 -9.609 1.00 0.00 C ATOM 1328 CD GLU A 90 -8.776 0.919 -9.994 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.422 0.321 -11.045 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -9.653 0.444 -9.223 1.00 0.00 O ATOM 0 H GLU A 90 -4.840 2.353 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.937 3.880 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.119 1.424 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.985 1.358 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.773 2.812 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.915 2.820 -10.505 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.709 4.925 -7.818 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.595 5.633 -6.948 1.00 0.00 C ATOM 1339 C LYS A 91 -9.675 4.757 -6.413 1.00 0.00 C ATOM 1340 O LYS A 91 -10.346 4.037 -7.152 1.00 0.00 O ATOM 1341 CB LYS A 91 -9.164 6.844 -7.707 1.00 0.00 C ATOM 1342 CG LYS A 91 -9.883 7.865 -6.824 1.00 0.00 C ATOM 1343 CD LYS A 91 -10.469 9.074 -7.557 1.00 0.00 C ATOM 1344 CE LYS A 91 -9.476 9.915 -8.362 1.00 0.00 C ATOM 1345 NZ LYS A 91 -9.304 9.376 -9.731 1.00 0.00 N ATOM 0 H LYS A 91 -7.798 5.186 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.038 5.980 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.349 7.345 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.859 6.487 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.689 7.357 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.183 8.224 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.248 8.722 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.951 9.720 -6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.828 10.945 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.513 9.933 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.290 9.292 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.750 8.439 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.751 10.018 -10.416 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.854 4.726 -5.081 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.849 3.940 -4.422 1.00 0.00 C ATOM 1361 C GLY A 92 -12.180 4.604 -4.340 1.00 0.00 C ATOM 1362 O GLY A 92 -12.471 5.574 -5.038 1.00 0.00 O ATOM 0 H GLY A 92 -9.282 5.271 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.958 2.992 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.506 3.707 -3.414 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.167 -9.387 10.831 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.325 -8.179 11.581 1.00 0.00 C ATOM 1562 C GLN B 11 -2.471 -6.979 10.712 1.00 0.00 C ATOM 1563 O GLN B 11 -3.074 -7.048 9.643 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.178 -8.054 12.600 1.00 0.00 C ATOM 1565 CG GLN B 11 -1.541 -7.311 13.887 1.00 0.00 C ATOM 1566 CD GLN B 11 -0.397 -7.318 14.890 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -0.511 -7.866 15.985 1.00 0.00 O ATOM 1568 NE2 GLN B 11 0.748 -6.683 14.524 1.00 0.00 N ATOM 0 HA GLN B 11 -3.263 -8.232 12.133 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -0.831 -9.054 12.860 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.342 -7.541 12.124 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -1.808 -6.281 13.648 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -2.420 -7.772 14.336 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.814 -6.237 13.609 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.541 -6.652 15.164 1.00 0.00 H new ATOM 1577 N VAL B 12 -1.973 -5.808 11.151 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.151 -4.518 10.559 1.00 0.00 C ATOM 1579 C VAL B 12 -0.804 -3.888 10.457 1.00 0.00 C ATOM 1580 O VAL B 12 0.076 -4.165 11.270 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.088 -3.654 11.351 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.502 -2.405 10.554 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.365 -4.438 11.697 1.00 0.00 C ATOM 0 H VAL B 12 -1.397 -5.762 11.992 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.606 -4.627 9.575 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.563 -3.352 12.257 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.181 -1.799 11.154 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.616 -1.821 10.307 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.003 -2.709 9.635 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.038 -3.802 12.272 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.859 -4.752 10.778 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.104 -5.316 12.287 1.00 0.00 H new ATOM 1593 N SER B 13 -0.558 -3.043 9.440 1.00 0.00 N ATOM 1594 CA SER B 13 0.747 -2.563 9.104 1.00 0.00 C ATOM 1595 C SER B 13 0.785 -1.096 8.848 1.00 0.00 C ATOM 1596 O SER B 13 -0.242 -0.422 8.793 1.00 0.00 O ATOM 1597 CB SER B 13 1.291 -3.296 7.866 1.00 0.00 C ATOM 1598 OG SER B 13 0.365 -3.257 6.790 1.00 0.00 O ATOM 0 H SER B 13 -1.292 -2.682 8.831 1.00 0.00 H new ATOM 0 HA SER B 13 1.372 -2.765 9.974 1.00 0.00 H new ATOM 0 HB2 SER B 13 2.231 -2.840 7.555 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.509 -4.333 8.122 1.00 0.00 H new ATOM 0 HG SER B 13 0.851 -3.272 5.939 1.00 0.00 H new ATOM 1604 N ALA B 14 1.995 -0.527 8.703 1.00 0.00 N ATOM 1605 CA ALA B 14 2.190 0.849 8.361 1.00 0.00 C ATOM 1606 C ALA B 14 3.423 1.036 7.547 1.00 0.00 C ATOM 1607 O ALA B 14 4.342 0.218 7.586 1.00 0.00 O ATOM 1608 CB ALA B 14 2.243 1.716 9.631 1.00 0.00 C ATOM 0 H ALA B 14 2.867 -1.041 8.828 1.00 0.00 H new ATOM 0 HA ALA B 14 1.341 1.167 7.756 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.392 2.759 9.353 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.306 1.616 10.179 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.069 1.387 10.262 1.00 0.00 H new ATOM 1614 N VAL B 15 3.462 2.115 6.746 1.00 0.00 N ATOM 1615 CA VAL B 15 4.523 2.444 5.846 1.00 0.00 C ATOM 1616 C VAL B 15 4.846 3.925 5.983 1.00 0.00 C ATOM 1617 O VAL B 15 3.901 4.757 5.946 1.00 0.00 O ATOM 1618 CB VAL B 15 4.179 2.199 4.406 1.00 0.00 C ATOM 1619 CG1 VAL B 15 5.421 2.393 3.520 1.00 0.00 C ATOM 1620 CG2 VAL B 15 3.628 0.778 4.199 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.042 4.298 6.119 1.00 0.00 O ATOM 0 H VAL B 15 2.706 2.799 6.726 1.00 0.00 H new ATOM 0 HA VAL B 15 5.363 1.802 6.112 1.00 0.00 H new ATOM 0 HB VAL B 15 3.410 2.918 4.124 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.157 2.212 2.478 1.00 0.00 H new ATOM 0 HG12 VAL B 15 5.790 3.413 3.629 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.198 1.692 3.824 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.388 0.631 3.146 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.378 0.049 4.506 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.727 0.646 4.798 1.00 0.00 H new