USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 60 MET CE :methyl 146:sc= -0.616 (180deg=0) USER MOD Set 1.2: A 84 CYS SG : rot 64:sc= 0.264 USER MOD Set 2.1: A 35 CYS SG : rot -130:sc= 0.0707 USER MOD Set 2.2: A 71 THR OG1 : rot 126:sc= 1.41 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.757 K(o=-0.76,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 16 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0908 X(o=0.091,f=-0.035) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.0552 X(o=0.055,f=0.12) USER MOD Single : A 37 SER OG : rot 170:sc= -0.222 USER MOD Single : A 38 THR OG1 : rot -86:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -178:sc= -2.85! (180deg=-3.06!) USER MOD Single : A 47 MET CE :methyl -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.613 USER MOD Single : A 58 GLN : amide:sc= -1.03 K(o=-1,f=-0.36) USER MOD Single : A 69 SER OG : rot -84:sc= 0.75 USER MOD Single : A 80 MET CE :methyl -173:sc= -1.55 (180deg=-1.82) USER MOD Single : A 81 MET CE :methyl -158:sc= -0.0636 (180deg=-0.7) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.478 -3.679 -17.702 1.00 0.00 N ATOM 47 CA ILE A 4 8.584 -4.613 -17.011 1.00 0.00 C ATOM 48 C ILE A 4 7.184 -4.010 -16.870 1.00 0.00 C ATOM 49 O ILE A 4 6.198 -4.735 -16.783 1.00 0.00 O ATOM 50 CB ILE A 4 9.120 -5.000 -15.615 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.909 -3.847 -14.612 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.608 -5.360 -15.703 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.924 -2.721 -14.842 1.00 0.00 C ATOM 0 HA ILE A 4 8.535 -5.517 -17.618 1.00 0.00 H new ATOM 0 HB ILE A 4 8.566 -5.869 -15.261 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.897 -3.454 -14.712 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.005 -4.225 -13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.976 -5.631 -14.713 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.739 -6.202 -16.382 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.168 -4.503 -16.076 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.751 -1.922 -14.121 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.934 -3.111 -14.717 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.809 -2.328 -15.852 1.00 0.00 H new ATOM 65 N TYR A 5 7.111 -2.673 -16.857 1.00 0.00 N ATOM 66 CA TYR A 5 5.827 -1.980 -16.737 1.00 0.00 C ATOM 67 C TYR A 5 5.016 -2.137 -18.022 1.00 0.00 C ATOM 68 O TYR A 5 3.786 -2.203 -17.989 1.00 0.00 O ATOM 69 CB TYR A 5 6.042 -0.487 -16.462 1.00 0.00 C ATOM 70 CG TYR A 5 6.941 -0.318 -15.258 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.500 -0.725 -13.995 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.216 0.237 -15.410 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.333 -0.575 -12.881 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.050 0.388 -14.298 1.00 0.00 C ATOM 75 CZ TYR A 5 8.609 -0.019 -13.031 1.00 0.00 C ATOM 76 OH TYR A 5 9.431 0.129 -11.932 1.00 0.00 O ATOM 0 H TYR A 5 7.920 -2.056 -16.928 1.00 0.00 H new ATOM 0 HA TYR A 5 5.282 -2.425 -15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.489 -0.007 -17.333 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.084 0.002 -16.285 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.516 -1.155 -13.879 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.556 0.549 -16.386 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.992 -0.888 -11.905 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.034 0.818 -14.415 1.00 0.00 H new ATOM 0 HH TYR A 5 10.281 0.530 -12.211 1.00 0.00 H new ATOM 86 N LYS A 6 5.726 -2.202 -19.153 1.00 0.00 N ATOM 87 CA LYS A 6 5.074 -2.360 -20.459 1.00 0.00 C ATOM 88 C LYS A 6 4.665 -3.812 -20.669 1.00 0.00 C ATOM 89 O LYS A 6 3.589 -4.099 -21.196 1.00 0.00 O ATOM 90 CB LYS A 6 6.016 -1.938 -21.596 1.00 0.00 C ATOM 91 CG LYS A 6 6.714 -0.617 -21.245 1.00 0.00 C ATOM 92 CD LYS A 6 5.691 0.376 -20.687 1.00 0.00 C ATOM 93 CE LYS A 6 6.415 1.598 -20.117 1.00 0.00 C ATOM 94 NZ LYS A 6 5.544 2.802 -20.243 1.00 0.00 N ATOM 0 H LYS A 6 6.744 -2.148 -19.192 1.00 0.00 H new ATOM 0 HA LYS A 6 4.191 -1.721 -20.472 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.760 -2.716 -21.769 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.452 -1.825 -22.522 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.501 -0.794 -20.511 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.193 -0.201 -22.131 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.002 0.684 -21.474 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.094 -0.101 -19.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.667 1.428 -19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.353 1.758 -20.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.039 3.630 -19.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.324 2.968 -21.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.661 2.648 -19.716 1.00 0.00 H new ATOM 108 N ALA A 7 5.534 -4.722 -20.235 1.00 0.00 N ATOM 109 CA ALA A 7 5.261 -6.154 -20.358 1.00 0.00 C ATOM 110 C ALA A 7 4.222 -6.593 -19.320 1.00 0.00 C ATOM 111 O ALA A 7 3.492 -7.564 -19.530 1.00 0.00 O ATOM 112 CB ALA A 7 6.544 -6.962 -20.157 1.00 0.00 C ATOM 0 H ALA A 7 6.428 -4.497 -19.798 1.00 0.00 H new ATOM 0 HA ALA A 7 4.871 -6.338 -21.359 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.323 -8.025 -20.252 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.277 -6.675 -20.911 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.948 -6.762 -19.164 1.00 0.00 H new ATOM 118 N ALA A 8 4.165 -5.867 -18.195 1.00 0.00 N ATOM 119 CA ALA A 8 3.216 -6.186 -17.129 1.00 0.00 C ATOM 120 C ALA A 8 1.845 -5.566 -17.403 1.00 0.00 C ATOM 121 O ALA A 8 0.821 -6.132 -17.015 1.00 0.00 O ATOM 122 CB ALA A 8 3.729 -5.680 -15.779 1.00 0.00 C ATOM 0 H ALA A 8 4.761 -5.062 -18.004 1.00 0.00 H new ATOM 0 HA ALA A 8 3.116 -7.271 -17.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.008 -5.928 -15.000 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.685 -6.153 -15.553 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.860 -4.599 -15.822 1.00 0.00 H new ATOM 128 N VAL A 9 1.826 -4.403 -18.072 1.00 0.00 N ATOM 129 CA VAL A 9 0.557 -3.733 -18.383 1.00 0.00 C ATOM 130 C VAL A 9 -0.346 -4.645 -19.228 1.00 0.00 C ATOM 131 O VAL A 9 -1.571 -4.598 -19.110 1.00 0.00 O ATOM 132 CB VAL A 9 0.800 -2.400 -19.118 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.029 -2.640 -20.614 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.419 -1.493 -18.931 1.00 0.00 C ATOM 0 H VAL A 9 2.659 -3.915 -18.402 1.00 0.00 H new ATOM 0 HA VAL A 9 0.054 -3.519 -17.440 1.00 0.00 H new ATOM 0 HB VAL A 9 1.689 -1.926 -18.701 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.198 -1.686 -21.114 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.900 -3.281 -20.751 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.152 -3.124 -21.043 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.253 -0.548 -19.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.302 -1.982 -19.342 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.571 -1.302 -17.869 1.00 0.00 H new ATOM 144 N GLU A 10 0.279 -5.487 -20.064 1.00 0.00 N ATOM 145 CA GLU A 10 -0.472 -6.420 -20.908 1.00 0.00 C ATOM 146 C GLU A 10 -1.169 -7.477 -20.045 1.00 0.00 C ATOM 147 O GLU A 10 -2.218 -8.004 -20.422 1.00 0.00 O ATOM 148 CB GLU A 10 0.460 -7.120 -21.901 1.00 0.00 C ATOM 149 CG GLU A 10 1.000 -6.099 -22.908 1.00 0.00 C ATOM 150 CD GLU A 10 1.333 -6.801 -24.221 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.431 -6.967 -25.027 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.484 -7.159 -24.403 1.00 0.00 O ATOM 0 H GLU A 10 1.292 -5.539 -20.172 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.219 -5.848 -21.458 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.286 -7.593 -21.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.077 -7.912 -22.423 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.261 -5.317 -23.080 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.890 -5.614 -22.507 1.00 0.00 H new ATOM 159 N GLN A 11 -0.581 -7.770 -18.877 1.00 0.00 N ATOM 160 CA GLN A 11 -1.157 -8.755 -17.958 1.00 0.00 C ATOM 161 C GLN A 11 -2.308 -8.130 -17.167 1.00 0.00 C ATOM 162 O GLN A 11 -3.284 -8.806 -16.833 1.00 0.00 O ATOM 163 CB GLN A 11 -0.099 -9.267 -16.970 1.00 0.00 C ATOM 164 CG GLN A 11 1.133 -9.762 -17.734 1.00 0.00 C ATOM 165 CD GLN A 11 2.121 -10.400 -16.760 1.00 0.00 C ATOM 166 OE1 GLN A 11 2.290 -11.620 -16.751 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.789 -9.644 -15.929 1.00 0.00 N ATOM 0 H GLN A 11 0.285 -7.342 -18.550 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.526 -9.590 -18.554 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.185 -8.470 -16.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.513 -10.075 -16.367 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.836 -10.487 -18.492 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.607 -8.931 -18.256 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.651 -8.633 -15.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.449 -10.065 -15.275 1.00 0.00 H new ATOM 176 N LEU A 12 -2.183 -6.831 -16.876 1.00 0.00 N ATOM 177 CA LEU A 12 -3.215 -6.113 -16.130 1.00 0.00 C ATOM 178 C LEU A 12 -4.434 -5.865 -17.018 1.00 0.00 C ATOM 179 O LEU A 12 -4.316 -5.732 -18.238 1.00 0.00 O ATOM 180 CB LEU A 12 -2.690 -4.762 -15.623 1.00 0.00 C ATOM 181 CG LEU A 12 -1.260 -4.761 -15.060 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.047 -3.504 -14.214 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.037 -6.003 -14.188 1.00 0.00 C ATOM 0 H LEU A 12 -1.381 -6.260 -17.145 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.496 -6.731 -15.277 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.736 -4.046 -16.444 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.365 -4.401 -14.847 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.552 -4.773 -15.888 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.033 -3.502 -13.814 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.194 -2.619 -14.833 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.762 -3.494 -13.391 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.021 -5.993 -13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.747 -5.999 -13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.184 -6.901 -14.789 1.00 0.00 H new ATOM 195 N THR A 13 -5.607 -5.808 -16.387 1.00 0.00 N ATOM 196 CA THR A 13 -6.855 -5.580 -17.121 1.00 0.00 C ATOM 197 C THR A 13 -7.456 -4.223 -16.763 1.00 0.00 C ATOM 198 O THR A 13 -7.074 -3.598 -15.770 1.00 0.00 O ATOM 199 CB THR A 13 -7.891 -6.669 -16.799 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.680 -7.165 -15.483 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.765 -7.812 -17.806 1.00 0.00 C ATOM 0 H THR A 13 -5.721 -5.915 -15.379 1.00 0.00 H new ATOM 0 HA THR A 13 -6.612 -5.608 -18.183 1.00 0.00 H new ATOM 0 HB THR A 13 -8.891 -6.240 -16.862 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.345 -7.857 -15.284 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.501 -8.583 -17.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.941 -7.432 -18.812 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.763 -8.238 -17.749 1.00 0.00 H new ATOM 209 N ASP A 14 -8.419 -3.789 -17.579 1.00 0.00 N ATOM 210 CA ASP A 14 -9.099 -2.515 -17.343 1.00 0.00 C ATOM 211 C ASP A 14 -9.896 -2.582 -16.039 1.00 0.00 C ATOM 212 O ASP A 14 -10.024 -1.585 -15.327 1.00 0.00 O ATOM 213 CB ASP A 14 -10.055 -2.190 -18.496 1.00 0.00 C ATOM 214 CG ASP A 14 -9.252 -1.736 -19.712 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.992 -0.548 -19.816 1.00 0.00 O ATOM 216 OD2 ASP A 14 -8.911 -2.582 -20.521 1.00 0.00 O ATOM 0 H ASP A 14 -8.743 -4.297 -18.402 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.342 -1.733 -17.275 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.650 -3.068 -18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.752 -1.408 -18.195 1.00 0.00 H new ATOM 221 N GLU A 15 -10.420 -3.777 -15.734 1.00 0.00 N ATOM 222 CA GLU A 15 -11.195 -3.984 -14.508 1.00 0.00 C ATOM 223 C GLU A 15 -10.326 -3.731 -13.276 1.00 0.00 C ATOM 224 O GLU A 15 -10.779 -3.132 -12.301 1.00 0.00 O ATOM 225 CB GLU A 15 -11.737 -5.416 -14.452 1.00 0.00 C ATOM 226 CG GLU A 15 -12.908 -5.561 -15.428 1.00 0.00 C ATOM 227 CD GLU A 15 -13.875 -6.624 -14.916 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.742 -6.279 -14.128 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.737 -7.767 -15.318 1.00 0.00 O ATOM 0 H GLU A 15 -10.321 -4.608 -16.316 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.028 -3.281 -14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.948 -6.124 -14.707 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.063 -5.653 -13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.425 -4.607 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.539 -5.837 -16.416 1.00 0.00 H new ATOM 236 N GLN A 16 -9.067 -4.187 -13.338 1.00 0.00 N ATOM 237 CA GLN A 16 -8.131 -3.995 -12.225 1.00 0.00 C ATOM 238 C GLN A 16 -7.952 -2.505 -11.937 1.00 0.00 C ATOM 239 O GLN A 16 -8.008 -2.075 -10.784 1.00 0.00 O ATOM 240 CB GLN A 16 -6.766 -4.610 -12.550 1.00 0.00 C ATOM 241 CG GLN A 16 -6.834 -6.133 -12.396 1.00 0.00 C ATOM 242 CD GLN A 16 -6.714 -6.507 -10.921 1.00 0.00 C ATOM 243 OE1 GLN A 16 -7.720 -6.617 -10.219 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.533 -6.711 -10.403 1.00 0.00 N ATOM 0 H GLN A 16 -8.678 -4.686 -14.138 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.546 -4.491 -11.348 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.473 -4.351 -13.567 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.005 -4.201 -11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.774 -6.507 -12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.032 -6.602 -12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.699 -6.620 -10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.444 -6.961 -9.418 1.00 0.00 H new ATOM 253 N LYS A 17 -7.753 -1.722 -13.003 1.00 0.00 N ATOM 254 CA LYS A 17 -7.585 -0.274 -12.859 1.00 0.00 C ATOM 255 C LYS A 17 -8.895 0.370 -12.398 1.00 0.00 C ATOM 256 O LYS A 17 -8.886 1.339 -11.638 1.00 0.00 O ATOM 257 CB LYS A 17 -7.153 0.357 -14.186 1.00 0.00 C ATOM 258 CG LYS A 17 -5.624 0.395 -14.260 1.00 0.00 C ATOM 259 CD LYS A 17 -5.105 -0.886 -14.921 1.00 0.00 C ATOM 260 CE LYS A 17 -5.262 -0.782 -16.441 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.331 -1.737 -17.108 1.00 0.00 N ATOM 0 H LYS A 17 -7.705 -2.062 -13.963 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.810 -0.099 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.554 -0.217 -15.021 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.557 1.366 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.300 1.266 -14.829 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.205 0.494 -13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.057 -1.041 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.656 -1.749 -14.547 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.291 -1.003 -16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.051 0.236 -16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.440 -1.664 -18.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.351 -1.507 -16.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.552 -2.707 -16.804 1.00 0.00 H new ATOM 275 N ASN A 18 -10.022 -0.193 -12.857 1.00 0.00 N ATOM 276 CA ASN A 18 -11.341 0.316 -12.476 1.00 0.00 C ATOM 277 C ASN A 18 -11.528 0.209 -10.961 1.00 0.00 C ATOM 278 O ASN A 18 -11.967 1.159 -10.310 1.00 0.00 O ATOM 279 CB ASN A 18 -12.450 -0.480 -13.178 1.00 0.00 C ATOM 280 CG ASN A 18 -12.916 0.275 -14.421 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.515 1.344 -14.316 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.676 -0.224 -15.604 1.00 0.00 N ATOM 0 H ASN A 18 -10.044 -0.995 -13.487 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.404 1.361 -12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.082 -1.467 -13.457 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.288 -0.633 -12.498 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.985 0.273 -16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.179 -1.110 -15.692 1.00 0.00 H new ATOM 289 N GLU A 19 -11.166 -0.956 -10.408 1.00 0.00 N ATOM 290 CA GLU A 19 -11.273 -1.184 -8.963 1.00 0.00 C ATOM 291 C GLU A 19 -10.268 -0.305 -8.223 1.00 0.00 C ATOM 292 O GLU A 19 -10.584 0.282 -7.188 1.00 0.00 O ATOM 293 CB GLU A 19 -10.986 -2.648 -8.615 1.00 0.00 C ATOM 294 CG GLU A 19 -11.970 -3.559 -9.350 1.00 0.00 C ATOM 295 CD GLU A 19 -12.176 -4.841 -8.550 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.409 -5.769 -8.746 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.097 -4.876 -7.750 1.00 0.00 O ATOM 0 H GLU A 19 -10.800 -1.749 -10.935 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.290 -0.936 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.963 -2.903 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.071 -2.799 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.922 -3.047 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.589 -3.796 -10.344 1.00 0.00 H new ATOM 304 N PHE A 20 -9.053 -0.229 -8.775 1.00 0.00 N ATOM 305 CA PHE A 20 -7.982 0.578 -8.181 1.00 0.00 C ATOM 306 C PHE A 20 -8.405 2.042 -8.050 1.00 0.00 C ATOM 307 O PHE A 20 -8.100 2.694 -7.052 1.00 0.00 O ATOM 308 CB PHE A 20 -6.716 0.505 -9.046 1.00 0.00 C ATOM 309 CG PHE A 20 -5.888 -0.709 -8.677 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.492 -1.852 -8.135 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.506 -0.686 -8.889 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.712 -2.966 -7.807 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.727 -1.797 -8.560 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.329 -2.939 -8.018 1.00 0.00 C ATOM 0 H PHE A 20 -8.787 -0.716 -9.631 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.778 0.174 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.991 0.458 -10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.124 1.410 -8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.559 -1.873 -7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.040 0.193 -9.308 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.177 -3.847 -7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.660 -1.775 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.726 -3.798 -7.763 1.00 0.00 H new ATOM 324 N LYS A 21 -9.111 2.548 -9.069 1.00 0.00 N ATOM 325 CA LYS A 21 -9.575 3.939 -9.058 1.00 0.00 C ATOM 326 C LYS A 21 -10.561 4.166 -7.910 1.00 0.00 C ATOM 327 O LYS A 21 -10.461 5.154 -7.181 1.00 0.00 O ATOM 328 CB LYS A 21 -10.251 4.294 -10.390 1.00 0.00 C ATOM 329 CG LYS A 21 -10.639 5.780 -10.403 1.00 0.00 C ATOM 330 CD LYS A 21 -9.399 6.643 -10.150 1.00 0.00 C ATOM 331 CE LYS A 21 -9.736 8.116 -10.393 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.404 8.685 -9.186 1.00 0.00 N ATOM 0 H LYS A 21 -9.371 2.021 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.706 4.582 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.576 4.079 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.138 3.677 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.085 6.040 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.391 5.975 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.050 6.504 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.588 6.332 -10.808 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.827 8.675 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.389 8.211 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.632 9.686 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.280 8.158 -8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.767 8.608 -8.368 1.00 0.00 H new ATOM 346 N ALA A 22 -11.507 3.234 -7.753 1.00 0.00 N ATOM 347 CA ALA A 22 -12.502 3.336 -6.683 1.00 0.00 C ATOM 348 C ALA A 22 -11.835 3.156 -5.318 1.00 0.00 C ATOM 349 O ALA A 22 -12.099 3.912 -4.384 1.00 0.00 O ATOM 350 CB ALA A 22 -13.588 2.271 -6.852 1.00 0.00 C ATOM 0 H ALA A 22 -11.604 2.410 -8.346 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.956 4.325 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.317 2.364 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.087 2.409 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.135 1.280 -6.818 1.00 0.00 H new ATOM 356 N ALA A 23 -10.957 2.149 -5.226 1.00 0.00 N ATOM 357 CA ALA A 23 -10.236 1.871 -3.980 1.00 0.00 C ATOM 358 C ALA A 23 -9.338 3.052 -3.593 1.00 0.00 C ATOM 359 O ALA A 23 -9.018 3.241 -2.418 1.00 0.00 O ATOM 360 CB ALA A 23 -9.373 0.614 -4.130 1.00 0.00 C ATOM 0 H ALA A 23 -10.731 1.518 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.977 1.714 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.845 0.422 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.010 -0.238 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.650 0.763 -4.932 1.00 0.00 H new ATOM 366 N PHE A 24 -8.939 3.846 -4.593 1.00 0.00 N ATOM 367 CA PHE A 24 -8.089 5.008 -4.351 1.00 0.00 C ATOM 368 C PHE A 24 -8.942 6.211 -3.943 1.00 0.00 C ATOM 369 O PHE A 24 -8.704 6.829 -2.908 1.00 0.00 O ATOM 370 CB PHE A 24 -7.295 5.359 -5.618 1.00 0.00 C ATOM 371 CG PHE A 24 -6.054 6.147 -5.263 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.875 5.478 -4.913 1.00 0.00 C ATOM 373 CD2 PHE A 24 -6.079 7.548 -5.296 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.723 6.208 -4.596 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.927 8.277 -4.976 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.750 7.607 -4.626 1.00 0.00 C ATOM 0 H PHE A 24 -9.191 3.703 -5.571 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.396 4.765 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.015 4.446 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.920 5.939 -6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.854 4.399 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.987 8.065 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.813 5.691 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.947 9.357 -4.999 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.862 8.169 -4.379 1.00 0.00 H new ATOM 386 N ASP A 25 -9.934 6.535 -4.782 1.00 0.00 N ATOM 387 CA ASP A 25 -10.823 7.677 -4.532 1.00 0.00 C ATOM 388 C ASP A 25 -11.489 7.617 -3.150 1.00 0.00 C ATOM 389 O ASP A 25 -11.643 8.649 -2.496 1.00 0.00 O ATOM 390 CB ASP A 25 -11.916 7.752 -5.604 1.00 0.00 C ATOM 391 CG ASP A 25 -12.365 9.201 -5.777 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.760 9.897 -6.575 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.308 9.592 -5.108 1.00 0.00 O ATOM 0 H ASP A 25 -10.141 6.023 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.195 8.567 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.539 7.362 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.764 7.130 -5.318 1.00 0.00 H new ATOM 398 N ILE A 26 -11.887 6.415 -2.712 1.00 0.00 N ATOM 399 CA ILE A 26 -12.536 6.274 -1.397 1.00 0.00 C ATOM 400 C ILE A 26 -11.638 6.829 -0.289 1.00 0.00 C ATOM 401 O ILE A 26 -12.120 7.440 0.668 1.00 0.00 O ATOM 402 CB ILE A 26 -12.874 4.807 -1.095 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.614 3.942 -1.238 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.949 4.319 -2.070 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.941 2.489 -0.895 1.00 0.00 C ATOM 0 H ILE A 26 -11.776 5.545 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.464 6.845 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.247 4.726 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.231 4.007 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.830 4.313 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.189 3.278 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.846 4.928 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.579 4.403 -3.092 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.043 1.880 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.303 2.430 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.710 2.119 -1.573 1.00 0.00 H new ATOM 417 N PHE A 27 -10.326 6.627 -0.440 1.00 0.00 N ATOM 418 CA PHE A 27 -9.360 7.126 0.539 1.00 0.00 C ATOM 419 C PHE A 27 -9.018 8.591 0.249 1.00 0.00 C ATOM 420 O PHE A 27 -8.713 9.359 1.164 1.00 0.00 O ATOM 421 CB PHE A 27 -8.072 6.297 0.497 1.00 0.00 C ATOM 422 CG PHE A 27 -8.201 5.109 1.420 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.751 3.911 0.949 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.769 5.203 2.749 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.872 2.810 1.804 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.889 4.101 3.605 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.439 2.904 3.132 1.00 0.00 C ATOM 0 H PHE A 27 -9.912 6.125 -1.225 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.811 7.043 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.879 5.959 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.223 6.911 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.083 3.836 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.343 6.126 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.299 1.888 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.557 4.175 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.529 2.053 3.791 1.00 0.00 H new ATOM 437 N ILE A 28 -9.076 8.969 -1.037 1.00 0.00 N ATOM 438 CA ILE A 28 -8.771 10.345 -1.446 1.00 0.00 C ATOM 439 C ILE A 28 -10.051 11.196 -1.491 1.00 0.00 C ATOM 440 O ILE A 28 -10.179 12.111 -2.309 1.00 0.00 O ATOM 441 CB ILE A 28 -8.098 10.364 -2.833 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.980 9.314 -2.913 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.488 11.740 -3.104 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.238 9.202 -1.575 1.00 0.00 C ATOM 0 H ILE A 28 -9.329 8.346 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.087 10.766 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.863 10.138 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.403 8.346 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.278 9.584 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.016 11.741 -4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.272 12.497 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.741 11.963 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.451 8.452 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.796 10.166 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.939 8.908 -0.794 1.00 0.00 H new ATOM 456 N GLN A 29 -10.993 10.893 -0.592 1.00 0.00 N ATOM 457 CA GLN A 29 -12.250 11.645 -0.527 1.00 0.00 C ATOM 458 C GLN A 29 -11.976 13.101 -0.138 1.00 0.00 C ATOM 459 O GLN A 29 -12.642 14.018 -0.620 1.00 0.00 O ATOM 460 CB GLN A 29 -13.231 11.020 0.482 1.00 0.00 C ATOM 461 CG GLN A 29 -12.504 10.628 1.777 1.00 0.00 C ATOM 462 CD GLN A 29 -13.498 10.004 2.750 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.051 8.936 2.482 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.764 10.609 3.877 1.00 0.00 N ATOM 0 H GLN A 29 -10.911 10.142 0.093 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.706 11.609 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.029 11.728 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.701 10.140 0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.703 9.923 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.041 11.506 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.308 11.493 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.428 10.197 4.533 1.00 0.00 H new ATOM 473 N ASP A 30 -10.976 13.299 0.729 1.00 0.00 N ATOM 474 CA ASP A 30 -10.600 14.646 1.170 1.00 0.00 C ATOM 475 C ASP A 30 -9.124 14.675 1.585 1.00 0.00 C ATOM 476 O ASP A 30 -8.764 15.205 2.639 1.00 0.00 O ATOM 477 CB ASP A 30 -11.480 15.112 2.343 1.00 0.00 C ATOM 478 CG ASP A 30 -11.890 13.923 3.213 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.044 13.417 3.932 1.00 0.00 O ATOM 480 OD2 ASP A 30 -13.047 13.539 3.146 1.00 0.00 O ATOM 0 H ASP A 30 -10.417 12.549 1.136 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.753 15.328 0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.937 15.840 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.369 15.614 1.961 1.00 0.00 H new ATOM 485 N ALA A 31 -8.272 14.094 0.731 1.00 0.00 N ATOM 486 CA ALA A 31 -6.832 14.048 0.995 1.00 0.00 C ATOM 487 C ALA A 31 -6.196 15.425 0.785 1.00 0.00 C ATOM 488 O ALA A 31 -6.787 16.313 0.165 1.00 0.00 O ATOM 489 CB ALA A 31 -6.153 13.039 0.064 1.00 0.00 C ATOM 0 H ALA A 31 -8.555 13.652 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.692 13.743 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.083 13.015 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.577 12.049 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.315 13.334 -0.973 1.00 0.00 H new ATOM 495 N GLU A 32 -4.981 15.587 1.313 1.00 0.00 N ATOM 496 CA GLU A 32 -4.259 16.857 1.187 1.00 0.00 C ATOM 497 C GLU A 32 -3.497 16.925 -0.136 1.00 0.00 C ATOM 498 O GLU A 32 -3.534 17.941 -0.832 1.00 0.00 O ATOM 499 CB GLU A 32 -3.261 17.031 2.339 1.00 0.00 C ATOM 500 CG GLU A 32 -4.004 17.458 3.610 1.00 0.00 C ATOM 501 CD GLU A 32 -4.318 18.952 3.546 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.482 19.732 3.969 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.392 19.292 3.075 1.00 0.00 O ATOM 0 H GLU A 32 -4.479 14.863 1.827 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.000 17.656 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.728 16.097 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.514 17.779 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.927 16.887 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.396 17.242 4.488 1.00 0.00 H new ATOM 510 N ASP A 33 -2.801 15.835 -0.469 1.00 0.00 N ATOM 511 CA ASP A 33 -2.018 15.782 -1.709 1.00 0.00 C ATOM 512 C ASP A 33 -2.629 14.810 -2.732 1.00 0.00 C ATOM 513 O ASP A 33 -2.015 14.522 -3.762 1.00 0.00 O ATOM 514 CB ASP A 33 -0.579 15.350 -1.402 1.00 0.00 C ATOM 515 CG ASP A 33 0.161 16.486 -0.698 1.00 0.00 C ATOM 516 OD1 ASP A 33 -0.068 16.675 0.486 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.950 17.148 -1.354 1.00 0.00 O ATOM 0 H ASP A 33 -2.762 14.986 0.094 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.027 16.782 -2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.583 14.460 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.064 15.085 -2.325 1.00 0.00 H new ATOM 522 N GLY A 34 -3.840 14.312 -2.449 1.00 0.00 N ATOM 523 CA GLY A 34 -4.512 13.383 -3.361 1.00 0.00 C ATOM 524 C GLY A 34 -3.818 12.020 -3.376 1.00 0.00 C ATOM 525 O GLY A 34 -3.546 11.462 -4.440 1.00 0.00 O ATOM 0 H GLY A 34 -4.368 14.535 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.552 13.261 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.520 13.800 -4.368 1.00 0.00 H new ATOM 529 N CYS A 35 -3.535 11.492 -2.182 1.00 0.00 N ATOM 530 CA CYS A 35 -2.870 10.190 -2.064 1.00 0.00 C ATOM 531 C CYS A 35 -3.180 9.542 -0.715 1.00 0.00 C ATOM 532 O CYS A 35 -3.708 10.185 0.195 1.00 0.00 O ATOM 533 CB CYS A 35 -1.348 10.328 -2.210 1.00 0.00 C ATOM 534 SG CYS A 35 -0.828 12.014 -1.803 1.00 0.00 S ATOM 0 H CYS A 35 -3.753 11.940 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.251 9.561 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.847 9.617 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.050 10.084 -3.230 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.054 12.469 -2.744 1.00 0.00 H new ATOM 540 N ILE A 36 -2.834 8.259 -0.600 1.00 0.00 N ATOM 541 CA ILE A 36 -3.068 7.514 0.640 1.00 0.00 C ATOM 542 C ILE A 36 -1.785 7.463 1.471 1.00 0.00 C ATOM 543 O ILE A 36 -0.766 8.039 1.093 1.00 0.00 O ATOM 544 CB ILE A 36 -3.550 6.083 0.339 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.527 5.358 -0.546 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.895 6.142 -0.389 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.875 4.218 0.243 1.00 0.00 C ATOM 0 H ILE A 36 -2.394 7.717 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.845 8.029 1.205 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.660 5.540 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.017 4.963 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.765 6.059 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.238 5.130 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.627 6.648 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.779 6.691 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.150 3.706 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.370 4.624 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.641 3.511 0.561 1.00 0.00 H new ATOM 559 N SER A 37 -1.844 6.769 2.609 1.00 0.00 N ATOM 560 CA SER A 37 -0.677 6.653 3.480 1.00 0.00 C ATOM 561 C SER A 37 0.137 5.417 3.113 1.00 0.00 C ATOM 562 O SER A 37 -0.413 4.334 2.903 1.00 0.00 O ATOM 563 CB SER A 37 -1.105 6.555 4.946 1.00 0.00 C ATOM 564 OG SER A 37 -0.012 6.922 5.780 1.00 0.00 O ATOM 0 H SER A 37 -2.677 6.285 2.945 1.00 0.00 H new ATOM 0 HA SER A 37 -0.066 7.545 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.956 7.210 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.428 5.540 5.176 1.00 0.00 H new ATOM 0 HG SER A 37 -0.323 7.017 6.704 1.00 0.00 H new ATOM 570 N THR A 38 1.458 5.594 3.046 1.00 0.00 N ATOM 571 CA THR A 38 2.362 4.487 2.713 1.00 0.00 C ATOM 572 C THR A 38 2.206 3.348 3.721 1.00 0.00 C ATOM 573 O THR A 38 2.174 2.175 3.347 1.00 0.00 O ATOM 574 CB THR A 38 3.822 4.959 2.704 1.00 0.00 C ATOM 575 OG1 THR A 38 4.086 5.717 3.876 1.00 0.00 O ATOM 576 CG2 THR A 38 4.074 5.822 1.466 1.00 0.00 C ATOM 0 H THR A 38 1.924 6.485 3.216 1.00 0.00 H new ATOM 0 HA THR A 38 2.098 4.129 1.718 1.00 0.00 H new ATOM 0 HB THR A 38 4.482 4.092 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.838 6.653 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.111 6.157 1.461 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.877 5.236 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.413 6.689 1.486 1.00 0.00 H new ATOM 584 N LYS A 39 2.095 3.709 5.002 1.00 0.00 N ATOM 585 CA LYS A 39 1.927 2.715 6.064 1.00 0.00 C ATOM 586 C LYS A 39 0.557 2.026 5.967 1.00 0.00 C ATOM 587 O LYS A 39 0.375 0.921 6.479 1.00 0.00 O ATOM 588 CB LYS A 39 2.070 3.375 7.442 1.00 0.00 C ATOM 589 CG LYS A 39 0.945 4.395 7.666 1.00 0.00 C ATOM 590 CD LYS A 39 0.778 4.659 9.165 1.00 0.00 C ATOM 591 CE LYS A 39 1.711 5.795 9.597 1.00 0.00 C ATOM 592 NZ LYS A 39 0.999 7.100 9.479 1.00 0.00 N ATOM 0 H LYS A 39 2.118 4.676 5.327 1.00 0.00 H new ATOM 0 HA LYS A 39 2.706 1.963 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.040 2.614 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.038 3.870 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.176 5.325 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.012 4.019 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.257 4.922 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.004 3.755 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.038 5.639 10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.606 5.800 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.634 7.870 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.708 7.249 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.158 7.093 10.090 1.00 0.00 H new ATOM 606 N GLU A 40 -0.404 2.691 5.306 1.00 0.00 N ATOM 607 CA GLU A 40 -1.749 2.131 5.154 1.00 0.00 C ATOM 608 C GLU A 40 -1.963 1.545 3.748 1.00 0.00 C ATOM 609 O GLU A 40 -3.102 1.317 3.333 1.00 0.00 O ATOM 610 CB GLU A 40 -2.803 3.213 5.412 1.00 0.00 C ATOM 611 CG GLU A 40 -4.025 2.590 6.091 1.00 0.00 C ATOM 612 CD GLU A 40 -4.823 3.676 6.809 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.615 4.332 6.153 1.00 0.00 O ATOM 614 OE2 GLU A 40 -4.629 3.835 8.003 1.00 0.00 O ATOM 0 H GLU A 40 -0.274 3.606 4.874 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.853 1.327 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.386 3.998 6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.096 3.681 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.652 2.094 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.709 1.827 6.802 1.00 0.00 H new ATOM 621 N LEU A 41 -0.864 1.287 3.023 1.00 0.00 N ATOM 622 CA LEU A 41 -0.966 0.714 1.677 1.00 0.00 C ATOM 623 C LEU A 41 -1.494 -0.717 1.747 1.00 0.00 C ATOM 624 O LEU A 41 -2.317 -1.132 0.930 1.00 0.00 O ATOM 625 CB LEU A 41 0.396 0.704 0.981 1.00 0.00 C ATOM 626 CG LEU A 41 0.382 1.227 -0.453 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.753 1.002 -1.097 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.691 0.490 -1.261 1.00 0.00 C ATOM 0 H LEU A 41 0.089 1.463 3.341 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.656 1.335 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.092 1.305 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.780 -0.316 0.978 1.00 0.00 H new ATOM 0 HG LEU A 41 0.158 2.294 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.740 1.376 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.515 1.533 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.982 -0.064 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.698 0.866 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.472 -0.578 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.667 0.657 -0.806 1.00 0.00 H new ATOM 640 N GLY A 42 -1.020 -1.462 2.743 1.00 0.00 N ATOM 641 CA GLY A 42 -1.460 -2.845 2.932 1.00 0.00 C ATOM 642 C GLY A 42 -2.957 -2.911 3.270 1.00 0.00 C ATOM 643 O GLY A 42 -3.582 -3.963 3.137 1.00 0.00 O ATOM 0 H GLY A 42 -0.337 -1.136 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.263 -3.419 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.883 -3.307 3.733 1.00 0.00 H new ATOM 647 N LYS A 43 -3.520 -1.776 3.711 1.00 0.00 N ATOM 648 CA LYS A 43 -4.934 -1.708 4.074 1.00 0.00 C ATOM 649 C LYS A 43 -5.817 -1.418 2.854 1.00 0.00 C ATOM 650 O LYS A 43 -6.922 -1.952 2.742 1.00 0.00 O ATOM 651 CB LYS A 43 -5.150 -0.605 5.113 1.00 0.00 C ATOM 652 CG LYS A 43 -6.466 -0.843 5.854 1.00 0.00 C ATOM 653 CD LYS A 43 -6.190 -1.568 7.174 1.00 0.00 C ATOM 654 CE LYS A 43 -6.016 -0.542 8.299 1.00 0.00 C ATOM 655 NZ LYS A 43 -5.887 -1.249 9.605 1.00 0.00 N ATOM 0 H LYS A 43 -3.015 -0.897 3.823 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.216 -2.678 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.321 -0.592 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.168 0.369 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.963 0.108 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.141 -1.436 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.013 -2.243 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.292 -2.179 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.131 0.068 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.870 0.135 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.769 -0.551 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.743 -1.812 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.059 -1.877 9.579 1.00 0.00 H new ATOM 669 N VAL A 44 -5.331 -0.557 1.949 1.00 0.00 N ATOM 670 CA VAL A 44 -6.107 -0.199 0.754 1.00 0.00 C ATOM 671 C VAL A 44 -6.241 -1.387 -0.209 1.00 0.00 C ATOM 672 O VAL A 44 -7.255 -1.520 -0.898 1.00 0.00 O ATOM 673 CB VAL A 44 -5.476 0.996 0.021 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.544 2.240 0.913 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.012 0.704 -0.312 1.00 0.00 C ATOM 0 H VAL A 44 -4.420 -0.103 2.019 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.104 0.082 1.094 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.028 1.168 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.096 3.086 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.585 2.466 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.999 2.054 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.579 1.559 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.459 0.520 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.953 -0.176 -0.952 1.00 0.00 H new ATOM 685 N MET A 45 -5.219 -2.254 -0.249 1.00 0.00 N ATOM 686 CA MET A 45 -5.255 -3.429 -1.132 1.00 0.00 C ATOM 687 C MET A 45 -6.253 -4.471 -0.620 1.00 0.00 C ATOM 688 O MET A 45 -6.815 -5.241 -1.401 1.00 0.00 O ATOM 689 CB MET A 45 -3.873 -4.079 -1.231 1.00 0.00 C ATOM 690 CG MET A 45 -2.871 -3.067 -1.785 1.00 0.00 C ATOM 691 SD MET A 45 -1.269 -3.874 -2.032 1.00 0.00 S ATOM 692 CE MET A 45 -0.816 -4.005 -0.286 1.00 0.00 C ATOM 0 H MET A 45 -4.370 -2.167 0.310 1.00 0.00 H new ATOM 0 HA MET A 45 -5.567 -3.082 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.551 -4.425 -0.249 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.917 -4.955 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.234 -2.660 -2.729 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.765 -2.229 -1.096 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.175 -4.451 -0.200 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.807 -3.012 0.163 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.542 -4.631 0.232 1.00 0.00 H new ATOM 702 N ARG A 46 -6.466 -4.482 0.700 1.00 0.00 N ATOM 703 CA ARG A 46 -7.404 -5.430 1.315 1.00 0.00 C ATOM 704 C ARG A 46 -8.815 -5.217 0.769 1.00 0.00 C ATOM 705 O ARG A 46 -9.525 -6.178 0.469 1.00 0.00 O ATOM 706 CB ARG A 46 -7.429 -5.262 2.837 1.00 0.00 C ATOM 707 CG ARG A 46 -6.204 -5.946 3.449 1.00 0.00 C ATOM 708 CD ARG A 46 -6.476 -6.269 4.919 1.00 0.00 C ATOM 709 NE ARG A 46 -5.561 -7.309 5.397 1.00 0.00 N ATOM 710 CZ ARG A 46 -4.303 -7.029 5.774 1.00 0.00 C ATOM 711 NH1 ARG A 46 -3.844 -5.799 5.736 1.00 0.00 N ATOM 712 NH2 ARG A 46 -3.524 -7.997 6.184 1.00 0.00 N ATOM 0 H ARG A 46 -6.007 -3.852 1.358 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.065 -6.437 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.434 -4.203 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.342 -5.695 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.975 -6.860 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.333 -5.297 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.359 -5.369 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.507 -6.601 5.039 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.889 -8.274 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.446 -5.040 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.886 -5.603 6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.874 -8.955 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.567 -7.794 6.472 1.00 0.00 H new ATOM 726 N MET A 47 -9.206 -3.943 0.632 1.00 0.00 N ATOM 727 CA MET A 47 -10.531 -3.606 0.106 1.00 0.00 C ATOM 728 C MET A 47 -10.685 -4.130 -1.323 1.00 0.00 C ATOM 729 O MET A 47 -11.765 -4.572 -1.719 1.00 0.00 O ATOM 730 CB MET A 47 -10.743 -2.087 0.108 1.00 0.00 C ATOM 731 CG MET A 47 -12.163 -1.767 0.584 1.00 0.00 C ATOM 732 SD MET A 47 -13.232 -1.478 -0.850 1.00 0.00 S ATOM 733 CE MET A 47 -14.402 -2.824 -0.543 1.00 0.00 C ATOM 0 H MET A 47 -8.629 -3.138 0.876 1.00 0.00 H new ATOM 0 HA MET A 47 -11.277 -4.074 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.013 -1.609 0.761 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.585 -1.686 -0.893 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.552 -2.592 1.180 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.153 -0.886 1.226 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.120 -2.875 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.861 -3.768 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.930 -2.641 0.393 1.00 0.00 H new ATOM 743 N LEU A 48 -9.586 -4.083 -2.087 1.00 0.00 N ATOM 744 CA LEU A 48 -9.598 -4.565 -3.470 1.00 0.00 C ATOM 745 C LEU A 48 -9.856 -6.073 -3.508 1.00 0.00 C ATOM 746 O LEU A 48 -10.649 -6.559 -4.318 1.00 0.00 O ATOM 747 CB LEU A 48 -8.255 -4.274 -4.151 1.00 0.00 C ATOM 748 CG LEU A 48 -8.341 -3.730 -5.583 1.00 0.00 C ATOM 749 CD1 LEU A 48 -9.297 -4.592 -6.412 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.852 -2.288 -5.553 1.00 0.00 C ATOM 0 H LEU A 48 -8.686 -3.719 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.396 -4.045 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.707 -3.556 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.669 -5.193 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.350 -3.757 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.353 -4.200 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.931 -5.618 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.289 -4.573 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.913 -1.902 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.841 -2.262 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.167 -1.671 -4.972 1.00 0.00 H new ATOM 762 N GLY A 49 -9.176 -6.804 -2.619 1.00 0.00 N ATOM 763 CA GLY A 49 -9.328 -8.256 -2.547 1.00 0.00 C ATOM 764 C GLY A 49 -7.964 -8.939 -2.515 1.00 0.00 C ATOM 765 O GLY A 49 -7.629 -9.725 -3.404 1.00 0.00 O ATOM 0 H GLY A 49 -8.519 -6.414 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.895 -8.524 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.898 -8.610 -3.406 1.00 0.00 H new ATOM 769 N GLN A 50 -7.180 -8.624 -1.481 1.00 0.00 N ATOM 770 CA GLN A 50 -5.844 -9.205 -1.332 1.00 0.00 C ATOM 771 C GLN A 50 -5.552 -9.516 0.134 1.00 0.00 C ATOM 772 O GLN A 50 -6.073 -8.860 1.039 1.00 0.00 O ATOM 773 CB GLN A 50 -4.779 -8.236 -1.856 1.00 0.00 C ATOM 774 CG GLN A 50 -4.420 -8.598 -3.299 1.00 0.00 C ATOM 775 CD GLN A 50 -4.045 -7.332 -4.063 1.00 0.00 C ATOM 776 OE1 GLN A 50 -4.875 -6.756 -4.766 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.831 -6.858 -3.966 1.00 0.00 N ATOM 0 H GLN A 50 -7.445 -7.975 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.815 -10.129 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.150 -7.212 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.890 -8.282 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.589 -9.303 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.264 -9.091 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.142 -7.335 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.572 -6.011 -4.473 1.00 0.00 H new ATOM 786 N ASN A 51 -4.705 -10.524 0.356 1.00 0.00 N ATOM 787 CA ASN A 51 -4.339 -10.921 1.715 1.00 0.00 C ATOM 788 C ASN A 51 -2.844 -11.258 1.794 1.00 0.00 C ATOM 789 O ASN A 51 -2.460 -12.425 1.913 1.00 0.00 O ATOM 790 CB ASN A 51 -5.167 -12.135 2.157 1.00 0.00 C ATOM 791 CG ASN A 51 -5.206 -12.202 3.682 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.486 -12.992 4.292 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.012 -11.414 4.341 1.00 0.00 N ATOM 0 H ASN A 51 -4.264 -11.075 -0.381 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.548 -10.085 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.180 -12.061 1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.733 -13.050 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.044 -11.454 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.609 -10.759 3.837 1.00 0.00 H new ATOM 800 N PRO A 52 -1.985 -10.230 1.731 1.00 0.00 N ATOM 801 CA PRO A 52 -0.520 -10.411 1.800 1.00 0.00 C ATOM 802 C PRO A 52 -0.006 -10.520 3.238 1.00 0.00 C ATOM 803 O PRO A 52 -0.783 -10.699 4.180 1.00 0.00 O ATOM 804 CB PRO A 52 -0.011 -9.133 1.142 1.00 0.00 C ATOM 805 CG PRO A 52 -1.107 -8.085 1.290 1.00 0.00 C ATOM 806 CD PRO A 52 -2.417 -8.824 1.585 1.00 0.00 C ATOM 0 HA PRO A 52 -0.187 -11.332 1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.911 -8.796 1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.217 -9.306 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.868 -7.392 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.197 -7.494 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.893 -8.453 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.137 -8.706 0.775 1.00 0.00 H new ATOM 814 N THR A 53 1.315 -10.400 3.392 1.00 0.00 N ATOM 815 CA THR A 53 1.941 -10.473 4.714 1.00 0.00 C ATOM 816 C THR A 53 2.423 -9.076 5.128 1.00 0.00 C ATOM 817 O THR A 53 2.370 -8.136 4.330 1.00 0.00 O ATOM 818 CB THR A 53 3.134 -11.453 4.702 1.00 0.00 C ATOM 819 OG1 THR A 53 4.306 -10.787 4.249 1.00 0.00 O ATOM 820 CG2 THR A 53 2.837 -12.634 3.775 1.00 0.00 C ATOM 0 H THR A 53 1.968 -10.253 2.623 1.00 0.00 H new ATOM 0 HA THR A 53 1.204 -10.837 5.430 1.00 0.00 H new ATOM 0 HB THR A 53 3.292 -11.820 5.716 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.058 -11.415 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.685 -13.318 3.775 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.948 -13.158 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.666 -12.268 2.763 1.00 0.00 H new ATOM 828 N PRO A 54 2.908 -8.921 6.367 1.00 0.00 N ATOM 829 CA PRO A 54 3.407 -7.617 6.850 1.00 0.00 C ATOM 830 C PRO A 54 4.753 -7.241 6.230 1.00 0.00 C ATOM 831 O PRO A 54 5.071 -6.062 6.077 1.00 0.00 O ATOM 832 CB PRO A 54 3.523 -7.843 8.353 1.00 0.00 C ATOM 833 CG PRO A 54 3.646 -9.343 8.566 1.00 0.00 C ATOM 834 CD PRO A 54 3.001 -10.020 7.354 1.00 0.00 C ATOM 0 HA PRO A 54 2.753 -6.787 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.392 -7.323 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.648 -7.450 8.871 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.692 -9.635 8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.147 -9.644 9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.608 -10.845 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.020 -10.429 7.595 1.00 0.00 H new ATOM 842 N GLU A 55 5.527 -8.259 5.857 1.00 0.00 N ATOM 843 CA GLU A 55 6.828 -8.032 5.227 1.00 0.00 C ATOM 844 C GLU A 55 6.644 -7.801 3.725 1.00 0.00 C ATOM 845 O GLU A 55 7.347 -6.992 3.118 1.00 0.00 O ATOM 846 CB GLU A 55 7.752 -9.238 5.433 1.00 0.00 C ATOM 847 CG GLU A 55 7.682 -9.704 6.891 1.00 0.00 C ATOM 848 CD GLU A 55 8.719 -10.796 7.135 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.867 -10.454 7.371 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.352 -11.958 7.083 1.00 0.00 O ATOM 0 H GLU A 55 5.279 -9.241 5.978 1.00 0.00 H new ATOM 0 HA GLU A 55 7.279 -7.154 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.459 -10.050 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.777 -8.970 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.862 -8.863 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.684 -10.081 7.114 1.00 0.00 H new ATOM 857 N GLU A 56 5.686 -8.532 3.138 1.00 0.00 N ATOM 858 CA GLU A 56 5.406 -8.421 1.706 1.00 0.00 C ATOM 859 C GLU A 56 4.836 -7.046 1.350 1.00 0.00 C ATOM 860 O GLU A 56 5.371 -6.359 0.477 1.00 0.00 O ATOM 861 CB GLU A 56 4.414 -9.505 1.267 1.00 0.00 C ATOM 862 CG GLU A 56 4.617 -9.817 -0.219 1.00 0.00 C ATOM 863 CD GLU A 56 5.801 -10.766 -0.387 1.00 0.00 C ATOM 864 OE1 GLU A 56 6.919 -10.280 -0.475 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.573 -11.965 -0.428 1.00 0.00 O ATOM 0 H GLU A 56 5.097 -9.202 3.632 1.00 0.00 H new ATOM 0 HA GLU A 56 6.352 -8.553 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.559 -10.407 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.392 -9.169 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.715 -10.268 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.795 -8.895 -0.773 1.00 0.00 H new ATOM 872 N LEU A 57 3.744 -6.651 2.020 1.00 0.00 N ATOM 873 CA LEU A 57 3.122 -5.352 1.736 1.00 0.00 C ATOM 874 C LEU A 57 4.065 -4.193 2.098 1.00 0.00 C ATOM 875 O LEU A 57 3.961 -3.105 1.528 1.00 0.00 O ATOM 876 CB LEU A 57 1.756 -5.218 2.455 1.00 0.00 C ATOM 877 CG LEU A 57 1.707 -4.460 3.799 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.772 -4.993 4.758 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.921 -2.958 3.570 1.00 0.00 C ATOM 0 H LEU A 57 3.282 -7.199 2.746 1.00 0.00 H new ATOM 0 HA LEU A 57 2.935 -5.299 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.067 -4.724 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.370 -6.223 2.626 1.00 0.00 H new ATOM 0 HG LEU A 57 0.724 -4.618 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.721 -4.446 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.596 -6.052 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.759 -4.861 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.884 -2.435 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.893 -2.796 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.138 -2.574 2.916 1.00 0.00 H new ATOM 891 N GLN A 58 4.998 -4.440 3.031 1.00 0.00 N ATOM 892 CA GLN A 58 5.956 -3.408 3.433 1.00 0.00 C ATOM 893 C GLN A 58 6.927 -3.113 2.289 1.00 0.00 C ATOM 894 O GLN A 58 7.181 -1.953 1.957 1.00 0.00 O ATOM 895 CB GLN A 58 6.751 -3.851 4.668 1.00 0.00 C ATOM 896 CG GLN A 58 7.631 -2.698 5.165 1.00 0.00 C ATOM 897 CD GLN A 58 6.750 -1.563 5.685 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.441 -1.505 6.875 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.325 -0.647 4.855 1.00 0.00 N ATOM 0 H GLN A 58 5.106 -5.333 3.513 1.00 0.00 H new ATOM 0 HA GLN A 58 5.394 -2.507 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.068 -4.165 5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.371 -4.713 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.293 -3.049 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.265 -2.337 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.581 -0.694 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.738 0.115 5.194 1.00 0.00 H new ATOM 908 N GLU A 59 7.460 -4.182 1.685 1.00 0.00 N ATOM 909 CA GLU A 59 8.396 -4.040 0.567 1.00 0.00 C ATOM 910 C GLU A 59 7.718 -3.358 -0.622 1.00 0.00 C ATOM 911 O GLU A 59 8.348 -2.586 -1.345 1.00 0.00 O ATOM 912 CB GLU A 59 8.910 -5.410 0.118 1.00 0.00 C ATOM 913 CG GLU A 59 10.035 -5.872 1.046 1.00 0.00 C ATOM 914 CD GLU A 59 10.182 -7.388 0.953 1.00 0.00 C ATOM 915 OE1 GLU A 59 10.825 -7.845 0.021 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.649 -8.070 1.812 1.00 0.00 O ATOM 0 H GLU A 59 7.260 -5.147 1.950 1.00 0.00 H new ATOM 0 HA GLU A 59 9.231 -3.429 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.096 -6.135 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.273 -5.354 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.971 -5.388 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.817 -5.580 2.073 1.00 0.00 H new ATOM 923 N MET A 60 6.426 -3.651 -0.812 1.00 0.00 N ATOM 924 CA MET A 60 5.665 -3.060 -1.916 1.00 0.00 C ATOM 925 C MET A 60 5.624 -1.540 -1.790 1.00 0.00 C ATOM 926 O MET A 60 5.804 -0.826 -2.774 1.00 0.00 O ATOM 927 CB MET A 60 4.232 -3.603 -1.935 1.00 0.00 C ATOM 928 CG MET A 60 4.242 -5.048 -2.436 1.00 0.00 C ATOM 929 SD MET A 60 2.568 -5.529 -2.928 1.00 0.00 S ATOM 930 CE MET A 60 3.019 -6.382 -4.458 1.00 0.00 C ATOM 0 H MET A 60 5.891 -4.288 -0.221 1.00 0.00 H new ATOM 0 HA MET A 60 6.165 -3.330 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.801 -3.556 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.607 -2.987 -2.581 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.923 -5.146 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.607 -5.713 -1.653 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.345 -7.224 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.941 -5.690 -5.297 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.043 -6.747 -4.383 1.00 0.00 H new ATOM 940 N ILE A 61 5.387 -1.057 -0.565 1.00 0.00 N ATOM 941 CA ILE A 61 5.323 0.383 -0.307 1.00 0.00 C ATOM 942 C ILE A 61 6.602 1.084 -0.771 1.00 0.00 C ATOM 943 O ILE A 61 6.583 1.850 -1.734 1.00 0.00 O ATOM 944 CB ILE A 61 5.121 0.629 1.191 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.723 0.158 1.588 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.277 2.117 1.505 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.759 -0.401 3.006 1.00 0.00 C ATOM 0 H ILE A 61 5.237 -1.640 0.258 1.00 0.00 H new ATOM 0 HA ILE A 61 4.483 0.793 -0.868 1.00 0.00 H new ATOM 0 HB ILE A 61 5.870 0.074 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.018 0.987 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.374 -0.606 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.131 2.281 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.276 2.446 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.535 2.687 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.762 -0.737 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.451 -1.242 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.090 0.376 3.695 1.00 0.00 H new ATOM 959 N ASP A 62 7.708 0.818 -0.070 1.00 0.00 N ATOM 960 CA ASP A 62 8.998 1.434 -0.409 1.00 0.00 C ATOM 961 C ASP A 62 9.320 1.276 -1.902 1.00 0.00 C ATOM 962 O ASP A 62 9.903 2.173 -2.515 1.00 0.00 O ATOM 963 CB ASP A 62 10.127 0.805 0.417 1.00 0.00 C ATOM 964 CG ASP A 62 11.170 1.868 0.756 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.002 2.533 1.767 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.120 2.001 0.003 1.00 0.00 O ATOM 0 H ASP A 62 7.739 0.186 0.730 1.00 0.00 H new ATOM 0 HA ASP A 62 8.921 2.496 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.723 0.373 1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.590 -0.008 -0.142 1.00 0.00 H new ATOM 971 N GLU A 63 8.937 0.128 -2.477 1.00 0.00 N ATOM 972 CA GLU A 63 9.193 -0.141 -3.897 1.00 0.00 C ATOM 973 C GLU A 63 8.403 0.814 -4.798 1.00 0.00 C ATOM 974 O GLU A 63 8.983 1.517 -5.628 1.00 0.00 O ATOM 975 CB GLU A 63 8.807 -1.581 -4.252 1.00 0.00 C ATOM 976 CG GLU A 63 9.974 -2.521 -3.941 1.00 0.00 C ATOM 977 CD GLU A 63 9.565 -3.961 -4.244 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.638 -4.347 -5.400 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.182 -4.657 -3.317 1.00 0.00 O ATOM 0 H GLU A 63 8.453 -0.623 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 63 10.259 0.010 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.925 -1.881 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.546 -1.648 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.844 -2.246 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.262 -2.426 -2.894 1.00 0.00 H new ATOM 986 N VAL A 64 7.075 0.822 -4.635 1.00 0.00 N ATOM 987 CA VAL A 64 6.210 1.685 -5.456 1.00 0.00 C ATOM 988 C VAL A 64 6.481 3.170 -5.198 1.00 0.00 C ATOM 989 O VAL A 64 6.283 3.999 -6.086 1.00 0.00 O ATOM 990 CB VAL A 64 4.723 1.396 -5.198 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.445 -0.097 -5.386 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.345 1.814 -3.773 1.00 0.00 C ATOM 0 H VAL A 64 6.578 0.250 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 64 6.446 1.458 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 64 4.124 1.967 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.389 -0.297 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.697 -0.388 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.050 -0.671 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.289 1.605 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.947 1.254 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.529 2.881 -3.646 1.00 0.00 H new ATOM 1002 N ASP A 65 6.930 3.500 -3.978 1.00 0.00 N ATOM 1003 CA ASP A 65 7.217 4.893 -3.635 1.00 0.00 C ATOM 1004 C ASP A 65 8.443 5.376 -4.412 1.00 0.00 C ATOM 1005 O ASP A 65 9.576 5.313 -3.925 1.00 0.00 O ATOM 1006 CB ASP A 65 7.469 5.045 -2.126 1.00 0.00 C ATOM 1007 CG ASP A 65 6.808 6.325 -1.598 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.719 7.290 -2.344 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.406 6.322 -0.449 1.00 0.00 O ATOM 0 H ASP A 65 7.099 2.831 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 65 6.351 5.498 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.073 4.179 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.541 5.075 -1.931 1.00 0.00 H new ATOM 1014 N GLU A 66 8.196 5.842 -5.637 1.00 0.00 N ATOM 1015 CA GLU A 66 9.274 6.325 -6.508 1.00 0.00 C ATOM 1016 C GLU A 66 9.976 7.546 -5.907 1.00 0.00 C ATOM 1017 O GLU A 66 11.189 7.706 -6.049 1.00 0.00 O ATOM 1018 CB GLU A 66 8.722 6.695 -7.888 1.00 0.00 C ATOM 1019 CG GLU A 66 8.342 5.420 -8.651 1.00 0.00 C ATOM 1020 CD GLU A 66 6.943 5.570 -9.242 1.00 0.00 C ATOM 1021 OE1 GLU A 66 5.986 5.376 -8.509 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.847 5.875 -10.419 1.00 0.00 O ATOM 0 H GLU A 66 7.265 5.896 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 66 9.999 5.517 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.850 7.340 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.467 7.258 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.064 5.231 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.374 4.561 -7.981 1.00 0.00 H new ATOM 1029 N ASP A 67 9.202 8.404 -5.235 1.00 0.00 N ATOM 1030 CA ASP A 67 9.770 9.610 -4.618 1.00 0.00 C ATOM 1031 C ASP A 67 10.146 9.361 -3.153 1.00 0.00 C ATOM 1032 O ASP A 67 11.130 9.912 -2.658 1.00 0.00 O ATOM 1033 CB ASP A 67 8.786 10.795 -4.693 1.00 0.00 C ATOM 1034 CG ASP A 67 7.352 10.328 -4.431 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.005 10.159 -3.274 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.623 10.150 -5.393 1.00 0.00 O ATOM 0 H ASP A 67 8.197 8.291 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 67 10.670 9.858 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.066 11.553 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.847 11.263 -5.676 1.00 0.00 H new ATOM 1041 N GLY A 68 9.348 8.539 -2.462 1.00 0.00 N ATOM 1042 CA GLY A 68 9.603 8.240 -1.052 1.00 0.00 C ATOM 1043 C GLY A 68 9.301 9.466 -0.198 1.00 0.00 C ATOM 1044 O GLY A 68 10.149 9.935 0.563 1.00 0.00 O ATOM 0 H GLY A 68 8.529 8.074 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.984 7.402 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.642 7.939 -0.917 1.00 0.00 H new ATOM 1048 N SER A 69 8.081 9.987 -0.352 1.00 0.00 N ATOM 1049 CA SER A 69 7.657 11.175 0.387 1.00 0.00 C ATOM 1050 C SER A 69 6.949 10.800 1.691 1.00 0.00 C ATOM 1051 O SER A 69 7.225 11.374 2.746 1.00 0.00 O ATOM 1052 CB SER A 69 6.708 12.019 -0.466 1.00 0.00 C ATOM 1053 OG SER A 69 5.655 11.199 -0.962 1.00 0.00 O ATOM 0 H SER A 69 7.373 9.605 -0.980 1.00 0.00 H new ATOM 0 HA SER A 69 8.554 11.747 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.298 12.836 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.252 12.471 -1.295 1.00 0.00 H new ATOM 0 HG SER A 69 5.949 10.750 -1.782 1.00 0.00 H new ATOM 1059 N GLY A 70 6.027 9.840 1.601 1.00 0.00 N ATOM 1060 CA GLY A 70 5.267 9.399 2.773 1.00 0.00 C ATOM 1061 C GLY A 70 3.847 8.970 2.385 1.00 0.00 C ATOM 1062 O GLY A 70 3.188 8.241 3.129 1.00 0.00 O ATOM 0 H GLY A 70 5.789 9.356 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.783 8.567 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.219 10.207 3.503 1.00 0.00 H new ATOM 1066 N THR A 71 3.384 9.430 1.215 1.00 0.00 N ATOM 1067 CA THR A 71 2.047 9.086 0.734 1.00 0.00 C ATOM 1068 C THR A 71 2.144 8.321 -0.584 1.00 0.00 C ATOM 1069 O THR A 71 3.082 8.515 -1.361 1.00 0.00 O ATOM 1070 CB THR A 71 1.205 10.350 0.510 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.792 11.144 -0.518 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.132 11.160 1.808 1.00 0.00 C ATOM 0 H THR A 71 3.915 10.037 0.590 1.00 0.00 H new ATOM 0 HA THR A 71 1.569 8.465 1.491 1.00 0.00 H new ATOM 0 HB THR A 71 0.198 10.060 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.121 11.336 -1.207 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.534 12.056 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.673 10.555 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.138 11.447 2.115 1.00 0.00 H new ATOM 1080 N VAL A 72 1.161 7.454 -0.830 1.00 0.00 N ATOM 1081 CA VAL A 72 1.143 6.670 -2.063 1.00 0.00 C ATOM 1082 C VAL A 72 0.163 7.280 -3.057 1.00 0.00 C ATOM 1083 O VAL A 72 -1.046 7.321 -2.819 1.00 0.00 O ATOM 1084 CB VAL A 72 0.749 5.214 -1.789 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.921 4.388 -3.067 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.648 4.642 -0.689 1.00 0.00 C ATOM 0 H VAL A 72 0.377 7.279 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 72 2.149 6.684 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.292 5.174 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.641 3.353 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.283 4.795 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.962 4.428 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.369 3.607 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.688 4.683 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.527 5.229 0.221 1.00 0.00 H new ATOM 1096 N ASP A 73 0.703 7.748 -4.181 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.121 8.355 -5.223 1.00 0.00 C ATOM 1098 C ASP A 73 -0.679 7.271 -6.137 1.00 0.00 C ATOM 1099 O ASP A 73 -0.317 6.100 -6.018 1.00 0.00 O ATOM 1100 CB ASP A 73 0.705 9.342 -6.059 1.00 0.00 C ATOM 1101 CG ASP A 73 1.358 10.374 -5.142 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.722 11.377 -4.864 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.485 10.143 -4.728 1.00 0.00 O ATOM 0 H ASP A 73 1.700 7.719 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.939 8.893 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.469 8.806 -6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.065 9.841 -6.787 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.568 7.667 -7.049 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.173 6.709 -7.976 1.00 0.00 C ATOM 1110 C PHE A 74 -1.111 6.072 -8.876 1.00 0.00 C ATOM 1111 O PHE A 74 -1.220 4.899 -9.238 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.234 7.384 -8.847 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.200 6.340 -9.353 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.812 5.455 -8.456 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.483 6.256 -10.719 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.709 4.489 -8.926 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.379 5.291 -11.189 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.993 4.408 -10.293 1.00 0.00 C ATOM 0 H PHE A 74 -1.882 8.630 -7.166 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.646 5.931 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.767 8.141 -8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.761 7.896 -9.685 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.591 5.518 -7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.010 6.936 -11.411 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.181 3.807 -8.234 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.598 5.227 -12.245 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.686 3.664 -10.657 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.074 6.845 -9.218 1.00 0.00 N ATOM 1129 CA ASP A 75 1.010 6.328 -10.057 1.00 0.00 C ATOM 1130 C ASP A 75 1.753 5.212 -9.320 1.00 0.00 C ATOM 1131 O ASP A 75 2.177 4.227 -9.925 1.00 0.00 O ATOM 1132 CB ASP A 75 2.002 7.442 -10.408 1.00 0.00 C ATOM 1133 CG ASP A 75 1.641 8.036 -11.766 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.760 8.879 -11.806 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.251 7.640 -12.746 1.00 0.00 O ATOM 0 H ASP A 75 0.036 7.818 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 75 0.572 5.938 -10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.980 8.218 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.017 7.046 -10.431 1.00 0.00 H new ATOM 1140 N GLU A 76 1.880 5.377 -7.999 1.00 0.00 N ATOM 1141 CA GLU A 76 2.548 4.381 -7.155 1.00 0.00 C ATOM 1142 C GLU A 76 1.558 3.272 -6.764 1.00 0.00 C ATOM 1143 O GLU A 76 1.956 2.155 -6.430 1.00 0.00 O ATOM 1144 CB GLU A 76 3.110 5.040 -5.884 1.00 0.00 C ATOM 1145 CG GLU A 76 3.718 6.407 -6.237 1.00 0.00 C ATOM 1146 CD GLU A 76 4.375 7.037 -5.006 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.700 7.183 -4.001 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.544 7.376 -5.091 1.00 0.00 O ATOM 0 H GLU A 76 1.529 6.190 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 76 3.372 3.948 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.318 5.163 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.868 4.399 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.456 6.289 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.941 7.069 -6.620 1.00 0.00 H new ATOM 1155 N PHE A 77 0.262 3.600 -6.823 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.798 2.644 -6.490 1.00 0.00 C ATOM 1157 C PHE A 77 -1.008 1.646 -7.638 1.00 0.00 C ATOM 1158 O PHE A 77 -1.296 0.470 -7.407 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.108 3.401 -6.228 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.164 2.466 -5.684 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.093 2.016 -4.359 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.220 2.057 -6.507 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.078 1.155 -3.860 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.204 1.196 -6.008 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.134 0.745 -4.684 1.00 0.00 C ATOM 0 H PHE A 77 -0.077 4.522 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.502 2.094 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.931 4.210 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.461 3.858 -7.152 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.279 2.333 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.275 2.406 -7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.024 0.807 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.017 0.879 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.894 0.081 -4.298 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.873 2.134 -8.879 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.062 1.290 -10.065 1.00 0.00 C ATOM 1177 C LEU A 78 0.157 0.399 -10.333 1.00 0.00 C ATOM 1178 O LEU A 78 0.008 -0.762 -10.720 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.315 2.159 -11.305 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.679 2.864 -11.364 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -3.095 3.044 -12.825 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.730 2.023 -10.637 1.00 0.00 C ATOM 0 H LEU A 78 -0.635 3.104 -9.086 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.924 0.654 -9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.533 2.917 -11.359 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.213 1.532 -12.191 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.601 3.838 -10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.063 3.544 -12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.350 3.648 -13.344 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.169 2.068 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.695 2.528 -10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.809 1.046 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.436 1.895 -9.595 1.00 0.00 H new ATOM 1194 N VAL A 79 1.361 0.952 -10.136 1.00 0.00 N ATOM 1195 CA VAL A 79 2.597 0.188 -10.375 1.00 0.00 C ATOM 1196 C VAL A 79 2.655 -1.066 -9.503 1.00 0.00 C ATOM 1197 O VAL A 79 3.272 -2.057 -9.881 1.00 0.00 O ATOM 1198 CB VAL A 79 3.852 1.030 -10.108 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.011 2.083 -11.207 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.752 1.721 -8.744 1.00 0.00 C ATOM 0 H VAL A 79 1.507 1.910 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 79 2.578 -0.098 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 79 4.721 0.372 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.903 2.679 -11.014 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.107 1.588 -12.174 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.136 2.733 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.650 2.314 -8.570 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.878 2.372 -8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.657 0.969 -7.961 1.00 0.00 H new ATOM 1210 N MET A 80 2.008 -1.009 -8.335 1.00 0.00 N ATOM 1211 CA MET A 80 1.985 -2.146 -7.406 1.00 0.00 C ATOM 1212 C MET A 80 1.741 -3.472 -8.138 1.00 0.00 C ATOM 1213 O MET A 80 2.330 -4.498 -7.795 1.00 0.00 O ATOM 1214 CB MET A 80 0.875 -1.954 -6.370 1.00 0.00 C ATOM 1215 CG MET A 80 1.452 -1.310 -5.108 1.00 0.00 C ATOM 1216 SD MET A 80 0.350 -1.628 -3.710 1.00 0.00 S ATOM 1217 CE MET A 80 -1.081 -0.708 -4.329 1.00 0.00 C ATOM 0 H MET A 80 1.494 -0.190 -8.010 1.00 0.00 H new ATOM 0 HA MET A 80 2.960 -2.186 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.085 -1.326 -6.782 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.423 -2.915 -6.125 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.444 -1.713 -4.902 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.569 -0.236 -5.256 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.849 -0.667 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.776 0.305 -4.592 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.480 -1.207 -5.212 1.00 0.00 H new ATOM 1227 N MET A 81 0.860 -3.440 -9.146 1.00 0.00 N ATOM 1228 CA MET A 81 0.534 -4.645 -9.915 1.00 0.00 C ATOM 1229 C MET A 81 1.688 -5.055 -10.838 1.00 0.00 C ATOM 1230 O MET A 81 2.159 -6.192 -10.785 1.00 0.00 O ATOM 1231 CB MET A 81 -0.726 -4.417 -10.760 1.00 0.00 C ATOM 1232 CG MET A 81 -1.968 -4.490 -9.868 1.00 0.00 C ATOM 1233 SD MET A 81 -2.274 -6.213 -9.395 1.00 0.00 S ATOM 1234 CE MET A 81 -2.002 -6.018 -7.616 1.00 0.00 C ATOM 0 H MET A 81 0.365 -2.600 -9.445 1.00 0.00 H new ATOM 0 HA MET A 81 0.359 -5.447 -9.198 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.675 -3.445 -11.250 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.788 -5.168 -11.548 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.826 -3.877 -8.978 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.832 -4.088 -10.397 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.755 -6.985 -7.178 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.180 -5.322 -7.448 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.907 -5.629 -7.150 1.00 0.00 H new ATOM 1244 N VAL A 82 2.129 -4.123 -11.690 1.00 0.00 N ATOM 1245 CA VAL A 82 3.225 -4.403 -12.636 1.00 0.00 C ATOM 1246 C VAL A 82 4.548 -4.687 -11.910 1.00 0.00 C ATOM 1247 O VAL A 82 5.380 -5.451 -12.403 1.00 0.00 O ATOM 1248 CB VAL A 82 3.431 -3.230 -13.608 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.230 -3.121 -14.552 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.581 -1.920 -12.827 1.00 0.00 C ATOM 0 H VAL A 82 1.752 -3.177 -11.748 1.00 0.00 H new ATOM 0 HA VAL A 82 2.933 -5.292 -13.194 1.00 0.00 H new ATOM 0 HB VAL A 82 4.336 -3.410 -14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.381 -2.288 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.129 -4.046 -15.120 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.324 -2.951 -13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.726 -1.095 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.681 -1.743 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.442 -1.989 -12.162 1.00 0.00 H new ATOM 1260 N ARG A 83 4.731 -4.072 -10.737 1.00 0.00 N ATOM 1261 CA ARG A 83 5.955 -4.270 -9.949 1.00 0.00 C ATOM 1262 C ARG A 83 6.083 -5.725 -9.486 1.00 0.00 C ATOM 1263 O ARG A 83 7.185 -6.199 -9.202 1.00 0.00 O ATOM 1264 CB ARG A 83 5.957 -3.356 -8.717 1.00 0.00 C ATOM 1265 CG ARG A 83 6.090 -1.894 -9.158 1.00 0.00 C ATOM 1266 CD ARG A 83 7.497 -1.381 -8.841 1.00 0.00 C ATOM 1267 NE ARG A 83 7.551 0.080 -8.939 1.00 0.00 N ATOM 1268 CZ ARG A 83 8.647 0.770 -8.595 1.00 0.00 C ATOM 1269 NH1 ARG A 83 9.721 0.151 -8.159 1.00 0.00 N ATOM 1270 NH2 ARG A 83 8.647 2.074 -8.696 1.00 0.00 N ATOM 0 H ARG A 83 4.054 -3.437 -10.314 1.00 0.00 H new ATOM 0 HA ARG A 83 6.800 -4.023 -10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.036 -3.492 -8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.781 -3.623 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.894 -1.808 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.347 -1.282 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.786 -1.694 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.215 -1.823 -9.532 1.00 0.00 H new ATOM 0 HE ARG A 83 6.732 0.585 -9.278 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.727 -0.866 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.549 0.687 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.816 2.559 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.478 2.606 -8.436 1.00 0.00 H new ATOM 1284 N CYS A 84 4.942 -6.427 -9.415 1.00 0.00 N ATOM 1285 CA CYS A 84 4.934 -7.830 -8.989 1.00 0.00 C ATOM 1286 C CYS A 84 5.737 -8.713 -9.951 1.00 0.00 C ATOM 1287 O CYS A 84 6.250 -9.761 -9.552 1.00 0.00 O ATOM 1288 CB CYS A 84 3.500 -8.363 -8.915 1.00 0.00 C ATOM 1289 SG CYS A 84 2.665 -7.661 -7.472 1.00 0.00 S ATOM 0 H CYS A 84 4.023 -6.049 -9.645 1.00 0.00 H new ATOM 0 HA CYS A 84 5.396 -7.867 -8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.957 -8.103 -9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.509 -9.451 -8.849 1.00 0.00 H new ATOM 0 HG CYS A 84 2.561 -6.373 -7.615 1.00 0.00 H new