USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 80 SER OG : rot 180:sc= -0.587 USER MOD Set 1.2: A 89 SER OG : rot -83:sc= -0.065 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -159:sc= 0.0335 (180deg=0) USER MOD Set 2.2: A 55 TYR OH : rot 180:sc= -0.3 USER MOD Set 2.3: A 79 TYR OH : rot -19:sc= 1.13 USER MOD Single : A 9 MET CE :methyl -112:sc= -0.695 (180deg=-3.75!) USER MOD Single : A 11 THR OG1 : rot 140:sc= -0.827 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 47:sc= 0.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 4:sc= 1.08 USER MOD Single : A 29 CYS SG : rot -109:sc= -1.17 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.56 X(o=-0.56,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.46! C(o=-2.5!,f=-10!) USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.992) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0.102 (180deg=0.00813) USER MOD Single : A 64 HIS : no HD1:sc= -3.22 X(o=-3.2,f=-3.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 166:sc=-0.00738 (180deg=-0.136) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 84 THR OG1 : rot 122:sc= -0.493 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 110:sc= 0.105 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.687 -3.510 -1.959 1.00 0.00 N ATOM 60 CA GLY A 7 -19.247 -3.400 -2.100 1.00 0.00 C ATOM 61 C GLY A 7 -18.613 -2.607 -0.974 1.00 0.00 C ATOM 62 O GLY A 7 -19.300 -2.171 -0.050 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.810 -4.398 -2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.014 -2.923 -3.052 1.00 0.00 H new ATOM 66 N ILE A 8 -17.299 -2.422 -1.050 1.00 0.00 N ATOM 67 CA ILE A 8 -16.573 -1.677 -0.029 1.00 0.00 C ATOM 68 C ILE A 8 -16.101 -0.329 -0.563 1.00 0.00 C ATOM 69 O ILE A 8 -15.691 -0.217 -1.718 1.00 0.00 O ATOM 70 CB ILE A 8 -15.355 -2.468 0.485 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.808 -3.773 1.144 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.551 -1.625 1.463 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.664 -4.691 1.514 1.00 0.00 C ATOM 0 H ILE A 8 -16.716 -2.778 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.266 -1.515 0.797 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.716 -2.714 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.380 -3.538 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.481 -4.299 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.694 -2.197 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.202 -0.721 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.180 -1.351 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.059 -5.596 1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.105 -4.956 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.003 -4.184 2.216 1.00 0.00 H new ATOM 85 N MET A 9 -16.162 0.691 0.286 1.00 0.00 N ATOM 86 CA MET A 9 -15.738 2.032 -0.100 1.00 0.00 C ATOM 87 C MET A 9 -14.598 2.519 0.789 1.00 0.00 C ATOM 88 O MET A 9 -14.664 2.415 2.013 1.00 0.00 O ATOM 89 CB MET A 9 -16.915 3.006 -0.018 1.00 0.00 C ATOM 90 CG MET A 9 -18.206 2.449 -0.595 1.00 0.00 C ATOM 91 SD MET A 9 -18.078 2.080 -2.355 1.00 0.00 S ATOM 92 CE MET A 9 -18.759 0.424 -2.404 1.00 0.00 C ATOM 0 H MET A 9 -16.501 0.615 1.245 1.00 0.00 H new ATOM 0 HA MET A 9 -15.381 1.990 -1.129 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.080 3.277 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.655 3.922 -0.548 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.478 1.541 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.010 3.167 -0.436 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.971 -0.286 -2.655 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.176 0.173 -1.429 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.545 0.376 -3.158 1.00 0.00 H new ATOM 102 N VAL A 10 -13.552 3.050 0.164 1.00 0.00 N ATOM 103 CA VAL A 10 -12.397 3.553 0.898 1.00 0.00 C ATOM 104 C VAL A 10 -12.708 4.889 1.563 1.00 0.00 C ATOM 105 O VAL A 10 -12.672 5.939 0.920 1.00 0.00 O ATOM 106 CB VAL A 10 -11.175 3.723 -0.025 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.979 4.236 0.762 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.845 2.410 -0.718 1.00 0.00 C ATOM 0 H VAL A 10 -13.481 3.143 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.163 2.814 1.665 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.419 4.460 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.125 4.350 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.223 5.201 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.730 3.525 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.979 2.548 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.620 1.650 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.698 2.090 -1.316 1.00 0.00 H new ATOM 118 N THR A 11 -13.013 4.844 2.856 1.00 0.00 N ATOM 119 CA THR A 11 -13.332 6.050 3.609 1.00 0.00 C ATOM 120 C THR A 11 -12.133 6.990 3.674 1.00 0.00 C ATOM 121 O THR A 11 -12.263 8.195 3.458 1.00 0.00 O ATOM 122 CB THR A 11 -13.785 5.715 5.042 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.703 5.128 5.774 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.969 4.760 5.026 1.00 0.00 C ATOM 0 H THR A 11 -13.046 3.984 3.404 1.00 0.00 H new ATOM 0 HA THR A 11 -14.150 6.543 3.084 1.00 0.00 H new ATOM 0 HB THR A 11 -14.092 6.641 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.701 5.476 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.271 4.538 6.049 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.801 5.221 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.684 3.836 4.523 1.00 0.00 H new ATOM 132 N LYS A 12 -10.965 6.432 3.973 1.00 0.00 N ATOM 133 CA LYS A 12 -9.741 7.219 4.065 1.00 0.00 C ATOM 134 C LYS A 12 -8.804 6.906 2.903 1.00 0.00 C ATOM 135 O LYS A 12 -8.287 5.794 2.794 1.00 0.00 O ATOM 136 CB LYS A 12 -9.033 6.945 5.394 1.00 0.00 C ATOM 137 CG LYS A 12 -7.773 7.771 5.593 1.00 0.00 C ATOM 138 CD LYS A 12 -6.992 7.310 6.811 1.00 0.00 C ATOM 139 CE LYS A 12 -5.943 8.333 7.221 1.00 0.00 C ATOM 140 NZ LYS A 12 -4.775 8.330 6.297 1.00 0.00 N ATOM 0 H LYS A 12 -10.840 5.436 4.156 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.012 8.274 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.724 7.148 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.776 5.887 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.144 7.696 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.040 8.822 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.678 7.138 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.508 6.358 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.391 9.326 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.605 8.120 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.083 9.040 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.332 7.389 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.094 8.558 5.334 1.00 0.00 H new ATOM 154 N GLN A 13 -8.590 7.893 2.039 1.00 0.00 N ATOM 155 CA GLN A 13 -7.714 7.721 0.886 1.00 0.00 C ATOM 156 C GLN A 13 -6.253 7.907 1.280 1.00 0.00 C ATOM 157 O GLN A 13 -5.931 8.719 2.148 1.00 0.00 O ATOM 158 CB GLN A 13 -8.087 8.714 -0.217 1.00 0.00 C ATOM 159 CG GLN A 13 -9.567 8.709 -0.564 1.00 0.00 C ATOM 160 CD GLN A 13 -9.827 9.062 -2.015 1.00 0.00 C ATOM 161 OE1 GLN A 13 -9.376 10.098 -2.504 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.557 8.200 -2.713 1.00 0.00 N ATOM 0 H GLN A 13 -9.011 8.819 2.115 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.844 6.706 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.799 9.718 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.511 8.482 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.982 7.723 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.089 9.419 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.911 7.353 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.764 8.384 -3.695 1.00 0.00 H new ATOM 171 N LEU A 14 -5.371 7.149 0.637 1.00 0.00 N ATOM 172 CA LEU A 14 -3.942 7.229 0.921 1.00 0.00 C ATOM 173 C LEU A 14 -3.441 8.664 0.791 1.00 0.00 C ATOM 174 O LEU A 14 -3.995 9.458 0.032 1.00 0.00 O ATOM 175 CB LEU A 14 -3.162 6.316 -0.027 1.00 0.00 C ATOM 176 CG LEU A 14 -3.483 4.824 0.063 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.002 4.099 -1.185 1.00 0.00 C ATOM 178 CD2 LEU A 14 -2.855 4.218 1.309 1.00 0.00 C ATOM 0 H LEU A 14 -5.620 6.472 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.781 6.899 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.345 6.646 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.098 6.450 0.165 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.565 4.708 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.239 3.038 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.498 4.515 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.924 4.223 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.094 3.156 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.773 4.345 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.247 4.718 2.194 1.00 0.00 H new ATOM 190 N GLU A 15 -2.388 8.987 1.535 1.00 0.00 N ATOM 191 CA GLU A 15 -1.812 10.327 1.502 1.00 0.00 C ATOM 192 C GLU A 15 -0.335 10.274 1.122 1.00 0.00 C ATOM 193 O GLU A 15 0.401 9.395 1.569 1.00 0.00 O ATOM 194 CB GLU A 15 -1.977 11.011 2.860 1.00 0.00 C ATOM 195 CG GLU A 15 -1.208 10.331 3.981 1.00 0.00 C ATOM 196 CD GLU A 15 -1.419 11.003 5.324 1.00 0.00 C ATOM 197 OE1 GLU A 15 -1.230 12.234 5.409 1.00 0.00 O ATOM 198 OE2 GLU A 15 -1.775 10.296 6.291 1.00 0.00 O ATOM 0 H GLU A 15 -1.917 8.340 2.167 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.344 10.905 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.645 12.046 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.035 11.035 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.517 9.288 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.145 10.333 3.741 1.00 0.00 H new ATOM 205 N ASP A 16 0.090 11.221 0.293 1.00 0.00 N ATOM 206 CA ASP A 16 1.479 11.284 -0.148 1.00 0.00 C ATOM 207 C ASP A 16 2.431 11.035 1.018 1.00 0.00 C ATOM 208 O ASP A 16 2.306 11.648 2.078 1.00 0.00 O ATOM 209 CB ASP A 16 1.774 12.644 -0.781 1.00 0.00 C ATOM 210 CG ASP A 16 3.229 13.046 -0.640 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.574 13.678 0.381 1.00 0.00 O ATOM 212 OD2 ASP A 16 4.023 12.727 -1.549 1.00 0.00 O ATOM 0 H ASP A 16 -0.507 11.955 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 16 1.634 10.504 -0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.509 12.614 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.144 13.402 -0.316 1.00 0.00 H new ATOM 217 N THR A 17 3.382 10.129 0.815 1.00 0.00 N ATOM 218 CA THR A 17 4.354 9.796 1.849 1.00 0.00 C ATOM 219 C THR A 17 5.780 9.995 1.348 1.00 0.00 C ATOM 220 O THR A 17 6.136 9.540 0.260 1.00 0.00 O ATOM 221 CB THR A 17 4.189 8.342 2.329 1.00 0.00 C ATOM 222 OG1 THR A 17 2.881 8.154 2.880 1.00 0.00 O ATOM 223 CG2 THR A 17 5.239 7.993 3.372 1.00 0.00 C ATOM 0 H THR A 17 3.500 9.612 -0.057 1.00 0.00 H new ATOM 0 HA THR A 17 4.168 10.470 2.685 1.00 0.00 H new ATOM 0 HB THR A 17 4.320 7.683 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.213 8.542 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.102 6.961 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.233 8.109 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.136 8.659 4.229 1.00 0.00 H new ATOM 231 N THR A 18 6.594 10.677 2.148 1.00 0.00 N ATOM 232 CA THR A 18 7.982 10.936 1.785 1.00 0.00 C ATOM 233 C THR A 18 8.940 10.284 2.776 1.00 0.00 C ATOM 234 O THR A 18 9.114 10.766 3.894 1.00 0.00 O ATOM 235 CB THR A 18 8.274 12.447 1.725 1.00 0.00 C ATOM 236 OG1 THR A 18 7.516 13.050 0.670 1.00 0.00 O ATOM 237 CG2 THR A 18 9.756 12.703 1.501 1.00 0.00 C ATOM 0 H THR A 18 6.316 11.060 3.052 1.00 0.00 H new ATOM 0 HA THR A 18 8.136 10.504 0.796 1.00 0.00 H new ATOM 0 HB THR A 18 7.985 12.889 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.705 14.011 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.938 13.777 1.462 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.328 12.267 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.066 12.248 0.560 1.00 0.00 H new ATOM 245 N ALA A 19 9.560 9.186 2.357 1.00 0.00 N ATOM 246 CA ALA A 19 10.503 8.469 3.207 1.00 0.00 C ATOM 247 C ALA A 19 11.913 8.523 2.629 1.00 0.00 C ATOM 248 O ALA A 19 12.110 8.935 1.486 1.00 0.00 O ATOM 249 CB ALA A 19 10.059 7.025 3.388 1.00 0.00 C ATOM 0 H ALA A 19 9.426 8.773 1.434 1.00 0.00 H new ATOM 0 HA ALA A 19 10.519 8.957 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.773 6.502 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.073 7.003 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.012 6.534 2.416 1.00 0.00 H new ATOM 255 N TYR A 20 12.890 8.105 3.426 1.00 0.00 N ATOM 256 CA TYR A 20 14.283 8.109 2.994 1.00 0.00 C ATOM 257 C TYR A 20 14.680 6.750 2.426 1.00 0.00 C ATOM 258 O TYR A 20 13.892 5.804 2.439 1.00 0.00 O ATOM 259 CB TYR A 20 15.200 8.474 4.163 1.00 0.00 C ATOM 260 CG TYR A 20 15.101 9.924 4.580 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.460 10.944 3.709 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.648 10.273 5.847 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.372 12.270 4.086 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.556 11.596 6.232 1.00 0.00 C ATOM 265 CZ TYR A 20 14.919 12.591 5.349 1.00 0.00 C ATOM 266 OH TYR A 20 14.829 13.911 5.728 1.00 0.00 O ATOM 0 H TYR A 20 12.743 7.759 4.374 1.00 0.00 H new ATOM 0 HA TYR A 20 14.392 8.857 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.956 7.842 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.231 8.253 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.814 10.696 2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.363 9.497 6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.656 13.051 3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 20 14.201 11.850 7.220 1.00 0.00 H new ATOM 0 HH TYR A 20 14.492 13.965 6.646 1.00 0.00 H new ATOM 276 N CYS A 21 15.909 6.661 1.928 1.00 0.00 N ATOM 277 CA CYS A 21 16.413 5.419 1.354 1.00 0.00 C ATOM 278 C CYS A 21 16.655 4.377 2.441 1.00 0.00 C ATOM 279 O CYS A 21 17.320 4.650 3.440 1.00 0.00 O ATOM 280 CB CYS A 21 17.707 5.678 0.582 1.00 0.00 C ATOM 281 SG CYS A 21 19.201 5.607 1.599 1.00 0.00 S ATOM 0 H CYS A 21 16.574 7.434 1.910 1.00 0.00 H new ATOM 0 HA CYS A 21 15.660 5.033 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.792 4.945 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.647 6.660 0.112 1.00 0.00 H new ATOM 0 HG CYS A 21 18.885 5.260 2.811 1.00 0.00 H new ATOM 287 N GLY A 22 16.110 3.181 2.240 1.00 0.00 N ATOM 288 CA GLY A 22 16.277 2.116 3.212 1.00 0.00 C ATOM 289 C GLY A 22 15.305 2.231 4.370 1.00 0.00 C ATOM 290 O GLY A 22 15.133 1.287 5.140 1.00 0.00 O ATOM 0 H GLY A 22 15.556 2.931 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.138 1.154 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.297 2.134 3.595 1.00 0.00 H new ATOM 294 N GLU A 23 14.669 3.392 4.494 1.00 0.00 N ATOM 295 CA GLU A 23 13.711 3.627 5.569 1.00 0.00 C ATOM 296 C GLU A 23 12.491 2.724 5.416 1.00 0.00 C ATOM 297 O GLU A 23 12.302 2.087 4.380 1.00 0.00 O ATOM 298 CB GLU A 23 13.276 5.094 5.582 1.00 0.00 C ATOM 299 CG GLU A 23 14.148 5.980 6.456 1.00 0.00 C ATOM 300 CD GLU A 23 14.283 5.452 7.871 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.267 4.989 8.430 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.404 5.501 8.418 1.00 0.00 O ATOM 0 H GLU A 23 14.799 4.184 3.864 1.00 0.00 H new ATOM 0 HA GLU A 23 14.199 3.392 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.290 5.477 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.245 5.155 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.138 6.065 6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.725 6.984 6.486 1.00 0.00 H new ATOM 309 N ARG A 24 11.666 2.673 6.457 1.00 0.00 N ATOM 310 CA ARG A 24 10.465 1.847 6.441 1.00 0.00 C ATOM 311 C ARG A 24 9.230 2.689 6.136 1.00 0.00 C ATOM 312 O ARG A 24 8.903 3.620 6.873 1.00 0.00 O ATOM 313 CB ARG A 24 10.292 1.135 7.784 1.00 0.00 C ATOM 314 CG ARG A 24 9.000 0.340 7.890 1.00 0.00 C ATOM 315 CD ARG A 24 8.793 -0.201 9.296 1.00 0.00 C ATOM 316 NE ARG A 24 7.378 -0.359 9.618 1.00 0.00 N ATOM 317 CZ ARG A 24 6.934 -1.052 10.661 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.792 -1.648 11.478 1.00 0.00 N ATOM 319 NH2 ARG A 24 5.631 -1.150 10.889 1.00 0.00 N ATOM 0 H ARG A 24 11.808 3.194 7.322 1.00 0.00 H new ATOM 0 HA ARG A 24 10.578 1.101 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.136 0.463 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.320 1.875 8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.157 0.975 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.021 -0.487 7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.296 -1.163 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.256 0.474 10.016 1.00 0.00 H new ATOM 0 HE ARG A 24 6.692 0.087 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.795 -1.575 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.449 -2.180 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.968 -0.693 10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.292 -1.682 11.690 1.00 0.00 H new ATOM 333 N VAL A 25 8.548 2.357 5.045 1.00 0.00 N ATOM 334 CA VAL A 25 7.348 3.082 4.643 1.00 0.00 C ATOM 335 C VAL A 25 6.090 2.387 5.150 1.00 0.00 C ATOM 336 O VAL A 25 5.988 1.161 5.110 1.00 0.00 O ATOM 337 CB VAL A 25 7.264 3.221 3.111 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.981 3.934 2.710 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.483 3.956 2.575 1.00 0.00 C ATOM 0 H VAL A 25 8.806 1.591 4.423 1.00 0.00 H new ATOM 0 HA VAL A 25 7.414 4.075 5.087 1.00 0.00 H new ATOM 0 HB VAL A 25 7.249 2.223 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.938 4.023 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.122 3.362 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.962 4.928 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.407 4.045 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.532 4.951 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.385 3.400 2.831 1.00 0.00 H new ATOM 349 N GLU A 26 5.134 3.178 5.625 1.00 0.00 N ATOM 350 CA GLU A 26 3.881 2.638 6.141 1.00 0.00 C ATOM 351 C GLU A 26 2.686 3.395 5.570 1.00 0.00 C ATOM 352 O GLU A 26 2.528 4.595 5.801 1.00 0.00 O ATOM 353 CB GLU A 26 3.860 2.707 7.669 1.00 0.00 C ATOM 354 CG GLU A 26 4.561 1.539 8.341 1.00 0.00 C ATOM 355 CD GLU A 26 4.189 1.399 9.804 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.835 2.058 10.646 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.252 0.631 10.108 1.00 0.00 O ATOM 0 H GLU A 26 5.203 4.195 5.663 1.00 0.00 H new ATOM 0 HA GLU A 26 3.810 1.595 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.332 3.636 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.825 2.742 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.308 0.618 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.640 1.669 8.255 1.00 0.00 H new ATOM 364 N LEU A 27 1.847 2.687 4.822 1.00 0.00 N ATOM 365 CA LEU A 27 0.665 3.291 4.216 1.00 0.00 C ATOM 366 C LEU A 27 -0.605 2.832 4.925 1.00 0.00 C ATOM 367 O LEU A 27 -1.006 1.675 4.811 1.00 0.00 O ATOM 368 CB LEU A 27 0.591 2.935 2.731 1.00 0.00 C ATOM 369 CG LEU A 27 1.850 3.214 1.910 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.766 2.531 0.554 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.057 4.713 1.742 1.00 0.00 C ATOM 0 H LEU A 27 1.963 1.694 4.620 1.00 0.00 H new ATOM 0 HA LEU A 27 0.746 4.373 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.352 1.875 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.238 3.486 2.287 1.00 0.00 H new ATOM 0 HG LEU A 27 2.707 2.807 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.671 2.741 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.667 1.455 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.899 2.907 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.958 4.892 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.197 5.144 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.164 5.178 2.722 1.00 0.00 H new ATOM 383 N GLU A 28 -1.233 3.748 5.655 1.00 0.00 N ATOM 384 CA GLU A 28 -2.459 3.437 6.381 1.00 0.00 C ATOM 385 C GLU A 28 -3.686 3.904 5.603 1.00 0.00 C ATOM 386 O GLU A 28 -3.621 4.872 4.844 1.00 0.00 O ATOM 387 CB GLU A 28 -2.439 4.091 7.764 1.00 0.00 C ATOM 388 CG GLU A 28 -3.468 3.516 8.724 1.00 0.00 C ATOM 389 CD GLU A 28 -3.911 4.518 9.773 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.677 5.440 9.427 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.490 4.378 10.940 1.00 0.00 O ATOM 0 H GLU A 28 -0.913 4.711 5.759 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.516 2.355 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.446 3.975 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.616 5.161 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.337 3.178 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.049 2.640 9.218 1.00 0.00 H new ATOM 398 N CYS A 29 -4.802 3.210 5.797 1.00 0.00 N ATOM 399 CA CYS A 29 -6.044 3.553 5.113 1.00 0.00 C ATOM 400 C CYS A 29 -7.242 2.922 5.814 1.00 0.00 C ATOM 401 O CYS A 29 -7.087 2.028 6.646 1.00 0.00 O ATOM 402 CB CYS A 29 -5.991 3.093 3.655 1.00 0.00 C ATOM 403 SG CYS A 29 -6.152 1.306 3.438 1.00 0.00 S ATOM 0 H CYS A 29 -4.872 2.407 6.422 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.158 4.637 5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.787 3.589 3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.047 3.418 3.217 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.009 0.809 3.070 1.00 0.00 H new ATOM 409 N GLU A 30 -8.437 3.395 5.474 1.00 0.00 N ATOM 410 CA GLU A 30 -9.662 2.878 6.073 1.00 0.00 C ATOM 411 C GLU A 30 -10.691 2.537 5.000 1.00 0.00 C ATOM 412 O GLU A 30 -10.715 3.147 3.930 1.00 0.00 O ATOM 413 CB GLU A 30 -10.248 3.899 7.051 1.00 0.00 C ATOM 414 CG GLU A 30 -9.737 3.742 8.473 1.00 0.00 C ATOM 415 CD GLU A 30 -10.480 4.622 9.460 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.728 4.580 9.469 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.814 5.353 10.223 1.00 0.00 O ATOM 0 H GLU A 30 -8.583 4.135 4.787 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.413 1.966 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.014 4.903 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.334 3.807 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.834 2.700 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.675 3.986 8.503 1.00 0.00 H new ATOM 424 N VAL A 31 -11.541 1.558 5.293 1.00 0.00 N ATOM 425 CA VAL A 31 -12.573 1.135 4.354 1.00 0.00 C ATOM 426 C VAL A 31 -13.956 1.192 4.994 1.00 0.00 C ATOM 427 O VAL A 31 -14.101 1.607 6.144 1.00 0.00 O ATOM 428 CB VAL A 31 -12.315 -0.295 3.843 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.188 -0.303 2.821 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.000 -1.226 5.004 1.00 0.00 C ATOM 0 H VAL A 31 -11.535 1.043 6.173 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.537 1.826 3.512 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.219 -0.655 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.021 -1.322 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.459 0.330 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.276 0.077 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.820 -2.232 4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.111 -0.870 5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.843 -1.244 5.695 1.00 0.00 H new ATOM 440 N SER A 32 -14.968 0.772 4.243 1.00 0.00 N ATOM 441 CA SER A 32 -16.340 0.779 4.736 1.00 0.00 C ATOM 442 C SER A 32 -16.637 -0.487 5.533 1.00 0.00 C ATOM 443 O SER A 32 -17.370 -0.453 6.521 1.00 0.00 O ATOM 444 CB SER A 32 -17.323 0.903 3.570 1.00 0.00 C ATOM 445 OG SER A 32 -18.663 0.911 4.031 1.00 0.00 O ATOM 0 H SER A 32 -14.864 0.422 3.290 1.00 0.00 H new ATOM 0 HA SER A 32 -16.459 1.639 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.120 1.819 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.178 0.073 2.878 1.00 0.00 H new ATOM 0 HG SER A 32 -19.271 0.993 3.267 1.00 0.00 H new ATOM 451 N GLU A 33 -16.062 -1.603 5.096 1.00 0.00 N ATOM 452 CA GLU A 33 -16.265 -2.881 5.768 1.00 0.00 C ATOM 453 C GLU A 33 -15.132 -3.166 6.750 1.00 0.00 C ATOM 454 O GLU A 33 -14.079 -2.531 6.700 1.00 0.00 O ATOM 455 CB GLU A 33 -16.363 -4.012 4.743 1.00 0.00 C ATOM 456 CG GLU A 33 -17.740 -4.147 4.114 1.00 0.00 C ATOM 457 CD GLU A 33 -17.937 -5.481 3.421 1.00 0.00 C ATOM 458 OE1 GLU A 33 -17.227 -6.445 3.778 1.00 0.00 O ATOM 459 OE2 GLU A 33 -18.800 -5.562 2.522 1.00 0.00 O ATOM 0 H GLU A 33 -15.452 -1.648 4.280 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.200 -2.824 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.628 -3.842 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.100 -4.953 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.501 -4.027 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.887 -3.342 3.393 1.00 0.00 H new ATOM 466 N ASP A 34 -15.357 -4.124 7.642 1.00 0.00 N ATOM 467 CA ASP A 34 -14.356 -4.494 8.636 1.00 0.00 C ATOM 468 C ASP A 34 -13.597 -5.744 8.202 1.00 0.00 C ATOM 469 O ASP A 34 -14.041 -6.477 7.318 1.00 0.00 O ATOM 470 CB ASP A 34 -15.018 -4.730 9.994 1.00 0.00 C ATOM 471 CG ASP A 34 -14.252 -5.723 10.846 1.00 0.00 C ATOM 472 OD1 ASP A 34 -14.297 -6.932 10.535 1.00 0.00 O ATOM 473 OD2 ASP A 34 -13.607 -5.291 11.825 1.00 0.00 O ATOM 0 H ASP A 34 -16.224 -4.659 7.697 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.646 -3.672 8.725 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.096 -3.782 10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.034 -5.094 9.841 1.00 0.00 H new ATOM 478 N ASP A 35 -12.449 -5.980 8.829 1.00 0.00 N ATOM 479 CA ASP A 35 -11.628 -7.141 8.508 1.00 0.00 C ATOM 480 C ASP A 35 -11.713 -7.473 7.021 1.00 0.00 C ATOM 481 O ASP A 35 -11.771 -8.641 6.638 1.00 0.00 O ATOM 482 CB ASP A 35 -12.066 -8.348 9.338 1.00 0.00 C ATOM 483 CG ASP A 35 -11.300 -9.607 8.980 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.053 -9.580 9.043 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.947 -10.618 8.636 1.00 0.00 O ATOM 0 H ASP A 35 -12.067 -5.383 9.562 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.593 -6.900 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.924 -8.128 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.132 -8.520 9.189 1.00 0.00 H new ATOM 490 N ALA A 36 -11.721 -6.438 6.188 1.00 0.00 N ATOM 491 CA ALA A 36 -11.798 -6.619 4.744 1.00 0.00 C ATOM 492 C ALA A 36 -10.453 -7.058 4.174 1.00 0.00 C ATOM 493 O ALA A 36 -9.466 -7.168 4.900 1.00 0.00 O ATOM 494 CB ALA A 36 -12.264 -5.335 4.075 1.00 0.00 C ATOM 0 H ALA A 36 -11.675 -5.464 6.489 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.524 -7.406 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.317 -5.485 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.250 -5.065 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.559 -4.533 4.296 1.00 0.00 H new ATOM 500 N ASN A 37 -10.423 -7.307 2.868 1.00 0.00 N ATOM 501 CA ASN A 37 -9.199 -7.735 2.201 1.00 0.00 C ATOM 502 C ASN A 37 -8.928 -6.884 0.964 1.00 0.00 C ATOM 503 O ASN A 37 -9.328 -7.237 -0.146 1.00 0.00 O ATOM 504 CB ASN A 37 -9.297 -9.210 1.807 1.00 0.00 C ATOM 505 CG ASN A 37 -8.153 -9.648 0.913 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.034 -9.865 1.380 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.428 -9.779 -0.379 1.00 0.00 N ATOM 0 H ASN A 37 -11.231 -7.220 2.252 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.371 -7.606 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.306 -9.824 2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.243 -9.384 1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.698 -10.070 -1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.370 -9.589 -0.722 1.00 0.00 H new ATOM 514 N VAL A 38 -8.245 -5.761 1.163 1.00 0.00 N ATOM 515 CA VAL A 38 -7.919 -4.860 0.064 1.00 0.00 C ATOM 516 C VAL A 38 -6.750 -5.394 -0.756 1.00 0.00 C ATOM 517 O VAL A 38 -5.984 -6.238 -0.290 1.00 0.00 O ATOM 518 CB VAL A 38 -7.569 -3.451 0.579 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.627 -2.961 1.555 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.192 -3.448 1.226 1.00 0.00 C ATOM 0 H VAL A 38 -7.907 -5.454 2.075 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.805 -4.798 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.548 -2.767 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.363 -1.964 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.595 -2.924 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.683 -3.643 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.961 -2.445 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.183 -4.144 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.445 -3.753 0.493 1.00 0.00 H new ATOM 530 N LYS A 39 -6.618 -4.897 -1.981 1.00 0.00 N ATOM 531 CA LYS A 39 -5.541 -5.322 -2.868 1.00 0.00 C ATOM 532 C LYS A 39 -4.586 -4.168 -3.156 1.00 0.00 C ATOM 533 O LYS A 39 -4.953 -3.198 -3.818 1.00 0.00 O ATOM 534 CB LYS A 39 -6.116 -5.862 -4.180 1.00 0.00 C ATOM 535 CG LYS A 39 -6.699 -7.259 -4.059 1.00 0.00 C ATOM 536 CD LYS A 39 -7.454 -7.659 -5.316 1.00 0.00 C ATOM 537 CE LYS A 39 -7.400 -9.162 -5.544 1.00 0.00 C ATOM 538 NZ LYS A 39 -8.484 -9.624 -6.454 1.00 0.00 N ATOM 0 H LYS A 39 -7.244 -4.199 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.984 -6.115 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.892 -5.183 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.330 -5.869 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.898 -7.974 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.370 -7.301 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.493 -7.339 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.028 -7.144 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.432 -9.431 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.484 -9.678 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.413 -10.653 -6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.409 -9.391 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.389 -9.151 -7.375 1.00 0.00 H new ATOM 552 N TRP A 40 -3.361 -4.282 -2.656 1.00 0.00 N ATOM 553 CA TRP A 40 -2.353 -3.248 -2.861 1.00 0.00 C ATOM 554 C TRP A 40 -1.589 -3.483 -4.160 1.00 0.00 C ATOM 555 O TRP A 40 -1.067 -4.572 -4.396 1.00 0.00 O ATOM 556 CB TRP A 40 -1.380 -3.215 -1.682 1.00 0.00 C ATOM 557 CG TRP A 40 -2.043 -2.912 -0.373 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.740 -3.784 0.414 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.073 -1.649 0.301 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.202 -3.139 1.536 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.805 -1.829 1.491 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.551 -0.385 0.016 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.028 -0.791 2.392 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.773 0.645 0.911 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.506 0.437 2.087 1.00 0.00 C ATOM 0 H TRP A 40 -3.042 -5.079 -2.106 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.863 -2.287 -2.929 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.874 -4.178 -1.611 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.613 -2.465 -1.874 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.904 -4.827 0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.751 -3.567 2.281 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.984 -0.215 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.593 -0.949 3.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.375 1.627 0.700 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.662 1.262 2.766 1.00 0.00 H new ATOM 576 N PHE A 41 -1.528 -2.454 -4.999 1.00 0.00 N ATOM 577 CA PHE A 41 -0.828 -2.549 -6.275 1.00 0.00 C ATOM 578 C PHE A 41 0.245 -1.471 -6.388 1.00 0.00 C ATOM 579 O PHE A 41 0.010 -0.307 -6.062 1.00 0.00 O ATOM 580 CB PHE A 41 -1.819 -2.423 -7.435 1.00 0.00 C ATOM 581 CG PHE A 41 -2.902 -3.463 -7.414 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.018 -3.304 -6.609 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.803 -4.600 -8.199 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.016 -4.260 -6.588 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.798 -5.560 -8.182 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.906 -5.389 -7.376 1.00 0.00 C ATOM 0 H PHE A 41 -1.955 -1.545 -4.818 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.344 -3.524 -6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.276 -1.434 -7.406 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.275 -2.496 -8.377 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.109 -2.423 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.939 -4.738 -8.832 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.881 -4.124 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.709 -6.442 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.685 -6.137 -7.362 1.00 0.00 H new ATOM 596 N LYS A 42 1.426 -1.866 -6.853 1.00 0.00 N ATOM 597 CA LYS A 42 2.537 -0.935 -7.011 1.00 0.00 C ATOM 598 C LYS A 42 2.681 -0.502 -8.466 1.00 0.00 C ATOM 599 O LYS A 42 3.205 -1.245 -9.295 1.00 0.00 O ATOM 600 CB LYS A 42 3.839 -1.577 -6.527 1.00 0.00 C ATOM 601 CG LYS A 42 5.051 -0.671 -6.663 1.00 0.00 C ATOM 602 CD LYS A 42 6.348 -1.447 -6.507 1.00 0.00 C ATOM 603 CE LYS A 42 7.561 -0.556 -6.729 1.00 0.00 C ATOM 604 NZ LYS A 42 8.828 -1.241 -6.352 1.00 0.00 N ATOM 0 H LYS A 42 1.638 -2.825 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 42 2.328 -0.052 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.726 -1.864 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.015 -2.492 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.033 -0.182 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.004 0.116 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.394 -1.884 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.367 -2.273 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.607 -0.259 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.453 0.357 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.567 -0.531 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.675 -1.805 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.129 -1.866 -7.127 1.00 0.00 H new ATOM 618 N ASN A 43 2.215 0.705 -8.769 1.00 0.00 N ATOM 619 CA ASN A 43 2.293 1.237 -10.124 1.00 0.00 C ATOM 620 C ASN A 43 1.459 0.397 -11.087 1.00 0.00 C ATOM 621 O ASN A 43 1.786 0.279 -12.267 1.00 0.00 O ATOM 622 CB ASN A 43 3.749 1.278 -10.595 1.00 0.00 C ATOM 623 CG ASN A 43 4.429 2.591 -10.256 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.780 3.549 -9.837 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.743 2.640 -10.437 1.00 0.00 N ATOM 0 H ASN A 43 1.779 1.333 -8.094 1.00 0.00 H new ATOM 0 HA ASN A 43 1.893 2.251 -10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.300 0.457 -10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.784 1.121 -11.673 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.255 3.497 -10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.241 1.821 -10.787 1.00 0.00 H new ATOM 632 N GLY A 44 0.379 -0.184 -10.574 1.00 0.00 N ATOM 633 CA GLY A 44 -0.486 -1.004 -11.402 1.00 0.00 C ATOM 634 C GLY A 44 -0.245 -2.487 -11.200 1.00 0.00 C ATOM 635 O GLY A 44 -1.134 -3.304 -11.434 1.00 0.00 O ATOM 0 H GLY A 44 0.088 -0.102 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.527 -0.774 -11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.326 -0.752 -12.450 1.00 0.00 H new ATOM 639 N GLU A 45 0.962 -2.835 -10.764 1.00 0.00 N ATOM 640 CA GLU A 45 1.317 -4.231 -10.534 1.00 0.00 C ATOM 641 C GLU A 45 0.714 -4.737 -9.226 1.00 0.00 C ATOM 642 O GLU A 45 0.556 -3.979 -8.270 1.00 0.00 O ATOM 643 CB GLU A 45 2.839 -4.395 -10.503 1.00 0.00 C ATOM 644 CG GLU A 45 3.448 -4.164 -9.131 1.00 0.00 C ATOM 645 CD GLU A 45 4.915 -3.783 -9.201 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.221 -2.692 -9.724 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.756 -4.578 -8.731 1.00 0.00 O ATOM 0 H GLU A 45 1.709 -2.171 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 45 0.911 -4.823 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.095 -5.399 -10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.286 -3.698 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.895 -3.375 -8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.339 -5.068 -8.532 1.00 0.00 H new ATOM 654 N GLU A 46 0.379 -6.023 -9.195 1.00 0.00 N ATOM 655 CA GLU A 46 -0.208 -6.629 -8.006 1.00 0.00 C ATOM 656 C GLU A 46 0.878 -7.126 -7.056 1.00 0.00 C ATOM 657 O GLU A 46 1.783 -7.858 -7.459 1.00 0.00 O ATOM 658 CB GLU A 46 -1.127 -7.788 -8.399 1.00 0.00 C ATOM 659 CG GLU A 46 -1.714 -8.529 -7.209 1.00 0.00 C ATOM 660 CD GLU A 46 -2.981 -9.285 -7.560 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.759 -8.781 -8.397 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.195 -10.379 -6.998 1.00 0.00 O ATOM 0 H GLU A 46 0.504 -6.664 -9.978 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.795 -5.867 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.940 -7.403 -9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.567 -8.492 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.974 -9.228 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.929 -7.817 -6.412 1.00 0.00 H new ATOM 669 N ILE A 47 0.781 -6.723 -5.794 1.00 0.00 N ATOM 670 CA ILE A 47 1.754 -7.127 -4.786 1.00 0.00 C ATOM 671 C ILE A 47 1.409 -8.495 -4.206 1.00 0.00 C ATOM 672 O ILE A 47 0.238 -8.816 -4.002 1.00 0.00 O ATOM 673 CB ILE A 47 1.836 -6.102 -3.640 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.245 -4.731 -4.181 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.819 -6.573 -2.578 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.250 -3.643 -3.130 1.00 0.00 C ATOM 0 H ILE A 47 0.039 -6.117 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 47 2.722 -7.180 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 47 0.851 -6.012 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.240 -4.805 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.563 -4.447 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.866 -5.838 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.488 -7.530 -2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.807 -6.688 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.549 -2.699 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.251 -3.541 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.954 -3.904 -2.339 1.00 0.00 H new ATOM 688 N ILE A 48 2.436 -9.295 -3.941 1.00 0.00 N ATOM 689 CA ILE A 48 2.242 -10.627 -3.382 1.00 0.00 C ATOM 690 C ILE A 48 3.190 -10.876 -2.213 1.00 0.00 C ATOM 691 O ILE A 48 4.304 -11.372 -2.380 1.00 0.00 O ATOM 692 CB ILE A 48 2.457 -11.721 -4.445 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.547 -11.477 -5.650 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.198 -13.096 -3.848 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.134 -10.524 -6.668 1.00 0.00 C ATOM 0 H ILE A 48 3.411 -9.044 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 48 1.212 -10.674 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 48 3.493 -11.682 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.337 -12.430 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.594 -11.081 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.354 -13.859 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.883 -13.267 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.171 -13.148 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.434 -10.398 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.318 -9.558 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.073 -10.928 -7.046 1.00 0.00 H new ATOM 707 N PRO A 49 2.738 -10.526 -1.000 1.00 0.00 N ATOM 708 CA PRO A 49 3.528 -10.704 0.221 1.00 0.00 C ATOM 709 C PRO A 49 3.690 -12.173 0.598 1.00 0.00 C ATOM 710 O PRO A 49 3.432 -13.063 -0.211 1.00 0.00 O ATOM 711 CB PRO A 49 2.711 -9.967 1.284 1.00 0.00 C ATOM 712 CG PRO A 49 1.312 -9.992 0.772 1.00 0.00 C ATOM 713 CD PRO A 49 1.419 -9.929 -0.727 1.00 0.00 C ATOM 0 HA PRO A 49 4.544 -10.326 0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.787 -10.460 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.065 -8.945 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.797 -10.899 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.740 -9.149 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.617 -10.487 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.359 -8.904 -1.092 1.00 0.00 H new ATOM 721 N GLY A 50 4.120 -12.419 1.832 1.00 0.00 N ATOM 722 CA GLY A 50 4.309 -13.782 2.293 1.00 0.00 C ATOM 723 C GLY A 50 5.424 -13.899 3.313 1.00 0.00 C ATOM 724 O GLY A 50 5.925 -12.903 3.835 1.00 0.00 O ATOM 0 H GLY A 50 4.341 -11.699 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.380 -14.146 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.532 -14.423 1.440 1.00 0.00 H new ATOM 775 N ARG A 54 8.894 -8.659 0.771 1.00 0.00 N ATOM 776 CA ARG A 54 9.294 -7.369 1.320 1.00 0.00 C ATOM 777 C ARG A 54 8.087 -6.615 1.871 1.00 0.00 C ATOM 778 O ARG A 54 8.163 -5.989 2.928 1.00 0.00 O ATOM 779 CB ARG A 54 9.988 -6.528 0.248 1.00 0.00 C ATOM 780 CG ARG A 54 11.041 -5.582 0.802 1.00 0.00 C ATOM 781 CD ARG A 54 11.367 -4.471 -0.184 1.00 0.00 C ATOM 782 NE ARG A 54 11.916 -4.992 -1.433 1.00 0.00 N ATOM 783 CZ ARG A 54 13.201 -5.280 -1.607 1.00 0.00 C ATOM 784 NH1 ARG A 54 14.064 -5.100 -0.617 1.00 0.00 N ATOM 785 NH2 ARG A 54 13.625 -5.750 -2.773 1.00 0.00 N ATOM 0 HA ARG A 54 9.992 -7.551 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.456 -7.194 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.237 -5.948 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.686 -5.148 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.947 -6.141 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.464 -3.898 -0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.082 -3.784 0.268 1.00 0.00 H new ATOM 0 HE ARG A 54 11.278 -5.143 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.742 -4.740 0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.050 -5.322 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.964 -5.891 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.612 -5.971 -2.905 1.00 0.00 H new ATOM 799 N TYR A 55 6.975 -6.679 1.146 1.00 0.00 N ATOM 800 CA TYR A 55 5.753 -6.001 1.560 1.00 0.00 C ATOM 801 C TYR A 55 4.962 -6.855 2.546 1.00 0.00 C ATOM 802 O TYR A 55 4.853 -8.071 2.382 1.00 0.00 O ATOM 803 CB TYR A 55 4.888 -5.675 0.342 1.00 0.00 C ATOM 804 CG TYR A 55 5.620 -4.901 -0.731 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.347 -5.558 -1.716 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.584 -3.512 -0.761 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.018 -4.854 -2.697 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.250 -2.800 -1.739 1.00 0.00 C ATOM 809 CZ TYR A 55 6.967 -3.476 -2.705 1.00 0.00 C ATOM 810 OH TYR A 55 7.633 -2.772 -3.682 1.00 0.00 O ATOM 0 H TYR A 55 6.895 -7.194 0.269 1.00 0.00 H new ATOM 0 HA TYR A 55 6.034 -5.072 2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.512 -6.605 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.021 -5.099 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.388 -6.637 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.025 -2.980 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.580 -5.380 -3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.210 -1.721 -1.748 1.00 0.00 H new ATOM 0 HH TYR A 55 7.495 -1.812 -3.545 1.00 0.00 H new ATOM 820 N ARG A 56 4.411 -6.210 3.569 1.00 0.00 N ATOM 821 CA ARG A 56 3.630 -6.910 4.581 1.00 0.00 C ATOM 822 C ARG A 56 2.296 -6.208 4.821 1.00 0.00 C ATOM 823 O ARG A 56 2.246 -5.142 5.435 1.00 0.00 O ATOM 824 CB ARG A 56 4.415 -6.997 5.891 1.00 0.00 C ATOM 825 CG ARG A 56 5.859 -7.434 5.708 1.00 0.00 C ATOM 826 CD ARG A 56 6.757 -6.858 6.792 1.00 0.00 C ATOM 827 NE ARG A 56 6.830 -7.727 7.963 1.00 0.00 N ATOM 828 CZ ARG A 56 7.489 -7.413 9.072 1.00 0.00 C ATOM 829 NH1 ARG A 56 8.130 -6.256 9.161 1.00 0.00 N ATOM 830 NH2 ARG A 56 7.509 -8.258 10.095 1.00 0.00 N ATOM 0 H ARG A 56 4.491 -5.204 3.719 1.00 0.00 H new ATOM 0 HA ARG A 56 3.430 -7.918 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.398 -6.023 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.914 -7.698 6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.916 -8.522 5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.216 -7.113 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.759 -6.707 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.382 -5.879 7.090 1.00 0.00 H new ATOM 0 HE ARG A 56 6.348 -8.625 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.118 -5.604 8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.635 -6.017 10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.018 -9.150 10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.016 -8.016 10.947 1.00 0.00 H new ATOM 844 N ILE A 57 1.219 -6.813 4.332 1.00 0.00 N ATOM 845 CA ILE A 57 -0.114 -6.246 4.493 1.00 0.00 C ATOM 846 C ILE A 57 -0.714 -6.627 5.842 1.00 0.00 C ATOM 847 O ILE A 57 -0.863 -7.809 6.155 1.00 0.00 O ATOM 848 CB ILE A 57 -1.063 -6.710 3.372 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.504 -6.313 2.004 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.451 -6.121 3.575 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.011 -7.176 0.870 1.00 0.00 C ATOM 0 H ILE A 57 1.243 -7.696 3.821 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.005 -5.163 4.439 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.142 -7.796 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.763 -5.274 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.584 -6.370 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.110 -6.458 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.849 -6.449 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.390 -5.033 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.573 -6.837 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.729 -8.214 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.097 -7.100 0.812 1.00 0.00 H new ATOM 863 N ARG A 58 -1.058 -5.619 6.637 1.00 0.00 N ATOM 864 CA ARG A 58 -1.643 -5.849 7.952 1.00 0.00 C ATOM 865 C ARG A 58 -3.068 -5.307 8.016 1.00 0.00 C ATOM 866 O ARG A 58 -3.358 -4.230 7.494 1.00 0.00 O ATOM 867 CB ARG A 58 -0.787 -5.191 9.036 1.00 0.00 C ATOM 868 CG ARG A 58 -1.445 -5.177 10.406 1.00 0.00 C ATOM 869 CD ARG A 58 -0.908 -4.046 11.270 1.00 0.00 C ATOM 870 NE ARG A 58 0.465 -4.291 11.702 1.00 0.00 N ATOM 871 CZ ARG A 58 1.257 -3.350 12.204 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.814 -2.108 12.337 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.495 -3.651 12.574 1.00 0.00 N ATOM 0 H ARG A 58 -0.942 -4.635 6.393 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.674 -6.925 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.165 -5.717 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.564 -4.166 8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.524 -5.069 10.292 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.271 -6.131 10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.951 -3.111 10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.547 -3.924 12.145 1.00 0.00 H new ATOM 0 HE ARG A 58 0.837 -5.237 11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.137 -1.873 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.424 -1.387 12.723 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.840 -4.606 12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.102 -2.928 12.959 1.00 0.00 H new ATOM 887 N VAL A 59 -3.954 -6.061 8.658 1.00 0.00 N ATOM 888 CA VAL A 59 -5.349 -5.657 8.790 1.00 0.00 C ATOM 889 C VAL A 59 -5.698 -5.356 10.243 1.00 0.00 C ATOM 890 O VAL A 59 -5.550 -6.210 11.117 1.00 0.00 O ATOM 891 CB VAL A 59 -6.302 -6.745 8.260 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.750 -6.303 8.403 1.00 0.00 C ATOM 893 CG2 VAL A 59 -5.978 -7.075 6.810 1.00 0.00 C ATOM 0 H VAL A 59 -3.731 -6.955 9.095 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.474 -4.753 8.194 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.162 -7.647 8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.408 -7.085 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.973 -6.120 9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.909 -5.387 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.660 -7.845 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.089 -6.179 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.952 -7.437 6.740 1.00 0.00 H new ATOM 903 N GLU A 60 -6.164 -4.136 10.494 1.00 0.00 N ATOM 904 CA GLU A 60 -6.534 -3.723 11.843 1.00 0.00 C ATOM 905 C GLU A 60 -7.941 -3.131 11.863 1.00 0.00 C ATOM 906 O GLU A 60 -8.145 -1.975 11.493 1.00 0.00 O ATOM 907 CB GLU A 60 -5.531 -2.701 12.380 1.00 0.00 C ATOM 908 CG GLU A 60 -4.362 -3.327 13.122 1.00 0.00 C ATOM 909 CD GLU A 60 -4.807 -4.324 14.176 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.737 -3.999 14.943 1.00 0.00 O ATOM 911 OE2 GLU A 60 -4.224 -5.427 14.233 1.00 0.00 O ATOM 0 H GLU A 60 -6.294 -3.417 9.782 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.520 -4.605 12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.148 -2.109 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.049 -2.013 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.708 -3.827 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.774 -2.541 13.596 1.00 0.00 H new ATOM 918 N GLY A 61 -8.908 -3.932 12.298 1.00 0.00 N ATOM 919 CA GLY A 61 -10.283 -3.471 12.358 1.00 0.00 C ATOM 920 C GLY A 61 -10.826 -3.088 10.996 1.00 0.00 C ATOM 921 O GLY A 61 -11.122 -3.953 10.172 1.00 0.00 O ATOM 0 H GLY A 61 -8.764 -4.892 12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.907 -4.255 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.346 -2.612 13.026 1.00 0.00 H new ATOM 925 N LYS A 62 -10.959 -1.788 10.759 1.00 0.00 N ATOM 926 CA LYS A 62 -11.471 -1.290 9.487 1.00 0.00 C ATOM 927 C LYS A 62 -10.424 -0.440 8.774 1.00 0.00 C ATOM 928 O LYS A 62 -10.757 0.413 7.951 1.00 0.00 O ATOM 929 CB LYS A 62 -12.743 -0.469 9.712 1.00 0.00 C ATOM 930 CG LYS A 62 -13.741 -1.137 10.642 1.00 0.00 C ATOM 931 CD LYS A 62 -14.989 -0.289 10.822 1.00 0.00 C ATOM 932 CE LYS A 62 -16.016 -0.572 9.737 1.00 0.00 C ATOM 933 NZ LYS A 62 -16.941 -1.674 10.122 1.00 0.00 N ATOM 0 H LYS A 62 -10.719 -1.059 11.431 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.706 -2.148 8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.470 0.503 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.222 -0.285 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.017 -2.112 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.275 -1.312 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.427 -0.488 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.719 0.767 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.591 0.332 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.503 -0.835 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.084 -2.307 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.530 -2.212 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.855 -1.274 10.415 1.00 0.00 H new ATOM 947 N LYS A 63 -9.157 -0.679 9.094 1.00 0.00 N ATOM 948 CA LYS A 63 -8.060 0.062 8.483 1.00 0.00 C ATOM 949 C LYS A 63 -6.907 -0.870 8.123 1.00 0.00 C ATOM 950 O LYS A 63 -6.572 -1.781 8.881 1.00 0.00 O ATOM 951 CB LYS A 63 -7.567 1.158 9.430 1.00 0.00 C ATOM 952 CG LYS A 63 -6.461 0.701 10.366 1.00 0.00 C ATOM 953 CD LYS A 63 -6.490 1.465 11.679 1.00 0.00 C ATOM 954 CE LYS A 63 -5.756 2.793 11.567 1.00 0.00 C ATOM 955 NZ LYS A 63 -5.433 3.361 12.905 1.00 0.00 N ATOM 0 H LYS A 63 -8.864 -1.381 9.774 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.432 0.522 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.207 2.001 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.407 1.519 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.567 -0.366 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.494 0.842 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.524 1.643 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.034 0.861 12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.836 2.653 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.369 3.501 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.590 3.966 12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.237 3.927 13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.246 2.587 13.575 1.00 0.00 H new ATOM 969 N HIS A 64 -6.302 -0.636 6.963 1.00 0.00 N ATOM 970 CA HIS A 64 -5.185 -1.454 6.504 1.00 0.00 C ATOM 971 C HIS A 64 -3.874 -0.679 6.588 1.00 0.00 C ATOM 972 O HIS A 64 -3.868 0.553 6.579 1.00 0.00 O ATOM 973 CB HIS A 64 -5.424 -1.921 5.068 1.00 0.00 C ATOM 974 CG HIS A 64 -6.549 -2.901 4.936 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.391 -4.160 4.397 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.855 -2.800 5.278 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.552 -4.791 4.412 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.457 -3.988 4.942 1.00 0.00 N ATOM 0 H HIS A 64 -6.566 0.113 6.324 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.114 -2.326 7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.634 -1.053 4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.510 -2.376 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.334 -1.945 5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.731 -5.793 4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.442 -4.213 5.079 1.00 0.00 H new ATOM 987 N ILE A 65 -2.766 -1.407 6.671 1.00 0.00 N ATOM 988 CA ILE A 65 -1.449 -0.788 6.757 1.00 0.00 C ATOM 989 C ILE A 65 -0.427 -1.550 5.920 1.00 0.00 C ATOM 990 O ILE A 65 -0.015 -2.654 6.277 1.00 0.00 O ATOM 991 CB ILE A 65 -0.953 -0.718 8.213 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.875 0.176 9.046 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.478 -0.203 8.261 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.085 -0.548 9.594 1.00 0.00 C ATOM 0 H ILE A 65 -2.754 -2.427 6.681 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.551 0.225 6.368 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.971 -1.722 8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.307 0.597 9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.209 1.012 8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.814 -0.159 9.297 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.126 -0.875 7.697 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.521 0.794 7.823 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.693 0.147 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.676 -0.946 8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.759 -1.367 10.235 1.00 0.00 H new ATOM 1006 N LEU A 66 -0.021 -0.952 4.805 1.00 0.00 N ATOM 1007 CA LEU A 66 0.955 -1.574 3.916 1.00 0.00 C ATOM 1008 C LEU A 66 2.366 -1.089 4.234 1.00 0.00 C ATOM 1009 O LEU A 66 2.760 0.009 3.838 1.00 0.00 O ATOM 1010 CB LEU A 66 0.614 -1.267 2.457 1.00 0.00 C ATOM 1011 CG LEU A 66 1.551 -1.867 1.408 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.293 -3.358 1.253 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.385 -1.154 0.074 1.00 0.00 C ATOM 0 H LEU A 66 -0.352 -0.038 4.495 1.00 0.00 H new ATOM 0 HA LEU A 66 0.917 -2.652 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.397 -1.623 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.602 -0.185 2.328 1.00 0.00 H new ATOM 0 HG LEU A 66 2.578 -1.730 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.969 -3.768 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.463 -3.858 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.262 -3.518 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.060 -1.594 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.356 -1.260 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.620 -0.097 0.195 1.00 0.00 H new ATOM 1025 N ILE A 67 3.123 -1.915 4.947 1.00 0.00 N ATOM 1026 CA ILE A 67 4.492 -1.572 5.314 1.00 0.00 C ATOM 1027 C ILE A 67 5.483 -2.072 4.269 1.00 0.00 C ATOM 1028 O ILE A 67 5.272 -3.114 3.648 1.00 0.00 O ATOM 1029 CB ILE A 67 4.870 -2.158 6.687 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.258 -1.671 7.109 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.827 -3.678 6.644 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.390 -2.450 6.475 1.00 0.00 C ATOM 0 H ILE A 67 2.812 -2.827 5.282 1.00 0.00 H new ATOM 0 HA ILE A 67 4.542 -0.484 5.366 1.00 0.00 H new ATOM 0 HB ILE A 67 4.145 -1.814 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.360 -0.618 6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.344 -1.739 8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.097 -4.077 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.821 -4.006 6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.533 -4.041 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.344 -2.050 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.313 -3.500 6.758 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.330 -2.362 5.390 1.00 0.00 H new ATOM 1044 N ILE A 68 6.565 -1.324 4.083 1.00 0.00 N ATOM 1045 CA ILE A 68 7.591 -1.693 3.115 1.00 0.00 C ATOM 1046 C ILE A 68 8.969 -1.745 3.767 1.00 0.00 C ATOM 1047 O ILE A 68 9.501 -0.723 4.197 1.00 0.00 O ATOM 1048 CB ILE A 68 7.632 -0.706 1.934 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.230 -0.516 1.351 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.594 -1.201 0.864 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.128 0.646 0.388 1.00 0.00 C ATOM 0 H ILE A 68 6.754 -0.459 4.589 1.00 0.00 H new ATOM 0 HA ILE A 68 7.330 -2.683 2.742 1.00 0.00 H new ATOM 0 HB ILE A 68 7.988 0.258 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.932 -1.430 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.524 -0.364 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.612 -0.493 0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.594 -1.290 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.265 -2.175 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.107 0.720 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.395 1.569 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.809 0.487 -0.448 1.00 0.00 H new ATOM 1063 N GLU A 69 9.540 -2.944 3.836 1.00 0.00 N ATOM 1064 CA GLU A 69 10.857 -3.128 4.435 1.00 0.00 C ATOM 1065 C GLU A 69 11.957 -2.668 3.483 1.00 0.00 C ATOM 1066 O GLU A 69 12.225 -3.312 2.469 1.00 0.00 O ATOM 1067 CB GLU A 69 11.071 -4.597 4.807 1.00 0.00 C ATOM 1068 CG GLU A 69 10.579 -4.949 6.201 1.00 0.00 C ATOM 1069 CD GLU A 69 10.723 -6.426 6.515 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.743 -7.236 5.565 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.816 -6.771 7.712 1.00 0.00 O ATOM 0 H GLU A 69 9.112 -3.801 3.485 1.00 0.00 H new ATOM 0 HA GLU A 69 10.905 -2.520 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.557 -5.226 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.133 -4.830 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.137 -4.369 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.532 -4.662 6.296 1.00 0.00 H new ATOM 1078 N GLY A 70 12.590 -1.548 3.817 1.00 0.00 N ATOM 1079 CA GLY A 70 13.653 -1.020 2.982 1.00 0.00 C ATOM 1080 C GLY A 70 13.124 -0.263 1.780 1.00 0.00 C ATOM 1081 O GLY A 70 12.959 -0.833 0.702 1.00 0.00 O ATOM 0 H GLY A 70 12.386 -0.997 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.283 -0.358 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.285 -1.840 2.642 1.00 0.00 H new ATOM 1085 N ALA A 71 12.856 1.026 1.965 1.00 0.00 N ATOM 1086 CA ALA A 71 12.343 1.862 0.887 1.00 0.00 C ATOM 1087 C ALA A 71 13.482 2.476 0.079 1.00 0.00 C ATOM 1088 O ALA A 71 14.044 3.504 0.459 1.00 0.00 O ATOM 1089 CB ALA A 71 11.443 2.953 1.448 1.00 0.00 C ATOM 0 H ALA A 71 12.986 1.514 2.852 1.00 0.00 H new ATOM 0 HA ALA A 71 11.757 1.231 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.067 3.570 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.604 2.498 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.012 3.574 2.140 1.00 0.00 H new ATOM 1095 N THR A 72 13.819 1.839 -1.039 1.00 0.00 N ATOM 1096 CA THR A 72 14.891 2.322 -1.899 1.00 0.00 C ATOM 1097 C THR A 72 14.348 3.222 -3.003 1.00 0.00 C ATOM 1098 O THR A 72 13.136 3.386 -3.145 1.00 0.00 O ATOM 1099 CB THR A 72 15.666 1.155 -2.540 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.648 0.019 -1.668 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.104 1.555 -2.831 1.00 0.00 C ATOM 0 H THR A 72 13.364 0.988 -1.369 1.00 0.00 H new ATOM 0 HA THR A 72 15.569 2.896 -1.266 1.00 0.00 H new ATOM 0 HB THR A 72 15.180 0.898 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.141 -0.720 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.631 0.715 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.114 2.402 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.599 1.836 -1.901 1.00 0.00 H new ATOM 1109 N LYS A 73 15.252 3.805 -3.783 1.00 0.00 N ATOM 1110 CA LYS A 73 14.864 4.688 -4.877 1.00 0.00 C ATOM 1111 C LYS A 73 13.888 3.990 -5.820 1.00 0.00 C ATOM 1112 O LYS A 73 13.239 4.634 -6.644 1.00 0.00 O ATOM 1113 CB LYS A 73 16.100 5.146 -5.653 1.00 0.00 C ATOM 1114 CG LYS A 73 16.716 6.426 -5.116 1.00 0.00 C ATOM 1115 CD LYS A 73 15.972 7.654 -5.613 1.00 0.00 C ATOM 1116 CE LYS A 73 16.812 8.913 -5.465 1.00 0.00 C ATOM 1117 NZ LYS A 73 17.916 8.963 -6.464 1.00 0.00 N ATOM 0 H LYS A 73 16.259 3.682 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 73 14.368 5.559 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.849 4.354 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.828 5.294 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.703 6.408 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.761 6.484 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.701 7.517 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.042 7.768 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.176 9.790 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.230 8.955 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.314 9.923 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.660 8.288 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.546 8.713 -7.403 1.00 0.00 H new ATOM 1131 N ALA A 74 13.789 2.671 -5.691 1.00 0.00 N ATOM 1132 CA ALA A 74 12.890 1.888 -6.529 1.00 0.00 C ATOM 1133 C ALA A 74 11.511 1.764 -5.890 1.00 0.00 C ATOM 1134 O ALA A 74 10.491 1.820 -6.576 1.00 0.00 O ATOM 1135 CB ALA A 74 13.479 0.509 -6.789 1.00 0.00 C ATOM 0 H ALA A 74 14.320 2.123 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 74 12.775 2.408 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.797 -0.065 -7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.438 0.613 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.624 -0.009 -5.841 1.00 0.00 H new ATOM 1141 N ASP A 75 11.488 1.596 -4.572 1.00 0.00 N ATOM 1142 CA ASP A 75 10.234 1.465 -3.840 1.00 0.00 C ATOM 1143 C ASP A 75 9.334 2.673 -4.083 1.00 0.00 C ATOM 1144 O ASP A 75 8.109 2.559 -4.070 1.00 0.00 O ATOM 1145 CB ASP A 75 10.507 1.310 -2.343 1.00 0.00 C ATOM 1146 CG ASP A 75 10.907 -0.105 -1.971 1.00 0.00 C ATOM 1147 OD1 ASP A 75 12.118 -0.407 -2.001 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.008 -0.910 -1.649 1.00 0.00 O ATOM 0 H ASP A 75 12.324 1.547 -3.989 1.00 0.00 H new ATOM 0 HA ASP A 75 9.721 0.574 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.299 1.998 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.615 1.592 -1.783 1.00 0.00 H new ATOM 1153 N ALA A 76 9.951 3.829 -4.303 1.00 0.00 N ATOM 1154 CA ALA A 76 9.206 5.057 -4.550 1.00 0.00 C ATOM 1155 C ALA A 76 8.362 4.943 -5.814 1.00 0.00 C ATOM 1156 O ALA A 76 8.845 5.190 -6.919 1.00 0.00 O ATOM 1157 CB ALA A 76 10.158 6.240 -4.653 1.00 0.00 C ATOM 0 H ALA A 76 10.965 3.941 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 76 8.532 5.219 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.588 7.151 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.713 6.342 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.855 6.076 -5.475 1.00 0.00 H new ATOM 1163 N ALA A 77 7.099 4.565 -5.645 1.00 0.00 N ATOM 1164 CA ALA A 77 6.187 4.419 -6.773 1.00 0.00 C ATOM 1165 C ALA A 77 4.753 4.739 -6.365 1.00 0.00 C ATOM 1166 O ALA A 77 4.461 4.920 -5.183 1.00 0.00 O ATOM 1167 CB ALA A 77 6.274 3.011 -7.343 1.00 0.00 C ATOM 0 H ALA A 77 6.684 4.354 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 77 6.485 5.130 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.588 2.916 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.292 2.818 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.005 2.289 -6.572 1.00 0.00 H new ATOM 1173 N GLU A 78 3.864 4.807 -7.350 1.00 0.00 N ATOM 1174 CA GLU A 78 2.460 5.108 -7.092 1.00 0.00 C ATOM 1175 C GLU A 78 1.728 3.876 -6.567 1.00 0.00 C ATOM 1176 O GLU A 78 1.350 2.991 -7.334 1.00 0.00 O ATOM 1177 CB GLU A 78 1.781 5.613 -8.366 1.00 0.00 C ATOM 1178 CG GLU A 78 0.333 6.025 -8.162 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.239 6.762 -9.357 1.00 0.00 C ATOM 1180 OE1 GLU A 78 0.280 7.848 -9.689 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.205 6.252 -9.961 1.00 0.00 O ATOM 0 H GLU A 78 4.090 4.658 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 78 2.416 5.888 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.341 6.464 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.824 4.832 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.269 5.138 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.261 6.661 -7.280 1.00 0.00 H new ATOM 1188 N TYR A 79 1.534 3.826 -5.254 1.00 0.00 N ATOM 1189 CA TYR A 79 0.850 2.702 -4.624 1.00 0.00 C ATOM 1190 C TYR A 79 -0.659 2.927 -4.600 1.00 0.00 C ATOM 1191 O TYR A 79 -1.150 3.852 -3.953 1.00 0.00 O ATOM 1192 CB TYR A 79 1.369 2.495 -3.200 1.00 0.00 C ATOM 1193 CG TYR A 79 2.779 1.952 -3.143 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.876 2.800 -3.240 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.015 0.591 -2.993 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.166 2.308 -3.189 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.301 0.090 -2.940 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.373 0.953 -3.038 1.00 0.00 C ATOM 1199 OH TYR A 79 6.656 0.458 -2.987 1.00 0.00 O ATOM 0 H TYR A 79 1.841 4.551 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 79 1.057 1.808 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.333 3.445 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.703 1.810 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.717 3.862 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.178 -0.087 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.007 2.981 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.466 -0.971 -2.823 1.00 0.00 H new ATOM 0 HH TYR A 79 7.276 1.116 -3.366 1.00 0.00 H new ATOM 1209 N SER A 80 -1.389 2.072 -5.309 1.00 0.00 N ATOM 1210 CA SER A 80 -2.842 2.178 -5.372 1.00 0.00 C ATOM 1211 C SER A 80 -3.502 0.898 -4.868 1.00 0.00 C ATOM 1212 O SER A 80 -3.087 -0.207 -5.217 1.00 0.00 O ATOM 1213 CB SER A 80 -3.292 2.466 -6.806 1.00 0.00 C ATOM 1214 OG SER A 80 -2.774 3.703 -7.264 1.00 0.00 O ATOM 0 H SER A 80 -0.998 1.299 -5.847 1.00 0.00 H new ATOM 0 HA SER A 80 -3.150 3.003 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.959 1.663 -7.463 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.381 2.485 -6.852 1.00 0.00 H new ATOM 0 HG SER A 80 -3.075 3.863 -8.183 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.533 1.057 -4.044 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.252 -0.085 -3.491 1.00 0.00 C ATOM 1222 C VAL A 81 -6.547 -0.341 -4.255 1.00 0.00 C ATOM 1223 O VAL A 81 -7.101 0.564 -4.878 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.581 0.127 -2.001 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.417 0.797 -1.287 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.854 0.947 -1.848 1.00 0.00 C ATOM 0 H VAL A 81 -4.889 1.965 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.597 -0.951 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.746 -0.847 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.668 0.939 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.530 0.168 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.217 1.765 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.071 1.087 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.720 1.919 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.684 0.423 -2.323 1.00 0.00 H new ATOM 1236 N MET A 82 -7.024 -1.580 -4.201 1.00 0.00 N ATOM 1237 CA MET A 82 -8.255 -1.955 -4.887 1.00 0.00 C ATOM 1238 C MET A 82 -9.110 -2.865 -4.010 1.00 0.00 C ATOM 1239 O MET A 82 -8.658 -3.922 -3.568 1.00 0.00 O ATOM 1240 CB MET A 82 -7.935 -2.654 -6.209 1.00 0.00 C ATOM 1241 CG MET A 82 -8.995 -2.448 -7.278 1.00 0.00 C ATOM 1242 SD MET A 82 -8.941 -3.711 -8.564 1.00 0.00 S ATOM 1243 CE MET A 82 -8.413 -2.738 -9.972 1.00 0.00 C ATOM 0 H MET A 82 -6.577 -2.341 -3.690 1.00 0.00 H new ATOM 0 HA MET A 82 -8.818 -1.045 -5.094 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.979 -2.287 -6.582 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.818 -3.722 -6.027 1.00 0.00 H new ATOM 0 HG2 MET A 82 -9.980 -2.452 -6.812 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.861 -1.466 -7.733 1.00 0.00 H new ATOM 0 HE1 MET A 82 -8.333 -3.381 -10.849 1.00 0.00 H new ATOM 0 HE2 MET A 82 -9.142 -1.951 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.442 -2.289 -9.761 1.00 0.00 H new ATOM 1253 N THR A 83 -10.348 -2.448 -3.762 1.00 0.00 N ATOM 1254 CA THR A 83 -11.265 -3.225 -2.938 1.00 0.00 C ATOM 1255 C THR A 83 -12.423 -3.769 -3.767 1.00 0.00 C ATOM 1256 O THR A 83 -12.454 -3.614 -4.988 1.00 0.00 O ATOM 1257 CB THR A 83 -11.829 -2.383 -1.779 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.589 -1.284 -2.296 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.708 -1.858 -0.895 1.00 0.00 C ATOM 0 H THR A 83 -10.738 -1.576 -4.120 1.00 0.00 H new ATOM 0 HA THR A 83 -10.693 -4.057 -2.528 1.00 0.00 H new ATOM 0 HB THR A 83 -12.476 -3.022 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.946 -0.754 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.131 -1.266 -0.083 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.149 -2.697 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.039 -1.234 -1.488 1.00 0.00 H new ATOM 1267 N THR A 84 -13.377 -4.407 -3.095 1.00 0.00 N ATOM 1268 CA THR A 84 -14.537 -4.975 -3.770 1.00 0.00 C ATOM 1269 C THR A 84 -15.372 -3.887 -4.436 1.00 0.00 C ATOM 1270 O THR A 84 -16.135 -4.157 -5.363 1.00 0.00 O ATOM 1271 CB THR A 84 -15.428 -5.762 -2.790 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.733 -4.953 -1.648 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.739 -7.042 -2.341 1.00 0.00 C ATOM 0 H THR A 84 -13.369 -4.543 -2.084 1.00 0.00 H new ATOM 0 HA THR A 84 -14.158 -5.656 -4.532 1.00 0.00 H new ATOM 0 HB THR A 84 -16.352 -6.026 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.705 -4.862 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.387 -7.581 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.534 -7.668 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.802 -6.795 -1.842 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.221 -2.655 -3.959 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.967 -1.545 -4.521 1.00 0.00 C ATOM 1283 C GLY A 85 -15.315 -0.206 -4.239 1.00 0.00 C ATOM 1284 O GLY A 85 -15.993 0.763 -3.898 1.00 0.00 O ATOM 0 H GLY A 85 -14.595 -2.406 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.058 -1.681 -5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.978 -1.547 -4.113 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.994 -0.151 -4.381 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.272 1.083 -4.133 1.00 0.00 C ATOM 1290 C GLY A 86 -11.834 1.019 -4.607 1.00 0.00 C ATOM 1291 O GLY A 86 -11.295 -0.066 -4.826 1.00 0.00 O ATOM 0 H GLY A 86 -13.411 -0.939 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.781 1.905 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.290 1.302 -3.065 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.213 2.183 -4.768 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.829 2.253 -5.222 1.00 0.00 C ATOM 1297 C GLN A 87 -9.167 3.544 -4.750 1.00 0.00 C ATOM 1298 O GLN A 87 -9.821 4.579 -4.625 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.765 2.161 -6.747 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.523 3.272 -7.456 1.00 0.00 C ATOM 1301 CD GLN A 87 -10.240 3.313 -8.945 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -11.092 2.957 -9.760 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -9.040 3.750 -9.308 1.00 0.00 N ATOM 0 H GLN A 87 -11.646 3.090 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.288 1.410 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.721 2.187 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.169 1.199 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.593 3.136 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.254 4.231 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.365 4.035 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.793 3.801 -10.296 1.00 0.00 H new ATOM 1312 N SER A 88 -7.865 3.474 -4.490 1.00 0.00 N ATOM 1313 CA SER A 88 -7.114 4.636 -4.028 1.00 0.00 C ATOM 1314 C SER A 88 -5.709 4.646 -4.621 1.00 0.00 C ATOM 1315 O SER A 88 -5.221 3.625 -5.107 1.00 0.00 O ATOM 1316 CB SER A 88 -7.035 4.644 -2.500 1.00 0.00 C ATOM 1317 OG SER A 88 -6.472 5.854 -2.025 1.00 0.00 O ATOM 0 H SER A 88 -7.309 2.625 -4.591 1.00 0.00 H new ATOM 0 HA SER A 88 -7.637 5.532 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.033 4.514 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.434 3.801 -2.159 1.00 0.00 H new ATOM 0 HG SER A 88 -7.165 6.385 -1.580 1.00 0.00 H new ATOM 1323 N SER A 89 -5.063 5.807 -4.579 1.00 0.00 N ATOM 1324 CA SER A 89 -3.715 5.952 -5.115 1.00 0.00 C ATOM 1325 C SER A 89 -2.916 6.970 -4.307 1.00 0.00 C ATOM 1326 O SER A 89 -3.473 7.924 -3.766 1.00 0.00 O ATOM 1327 CB SER A 89 -3.771 6.380 -6.583 1.00 0.00 C ATOM 1328 OG SER A 89 -4.910 5.838 -7.229 1.00 0.00 O ATOM 0 H SER A 89 -5.452 6.661 -4.179 1.00 0.00 H new ATOM 0 HA SER A 89 -3.216 4.985 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.796 7.468 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.867 6.051 -7.096 1.00 0.00 H new ATOM 0 HG SER A 89 -4.717 4.922 -7.519 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.606 6.758 -4.231 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.729 7.657 -3.492 1.00 0.00 C ATOM 1336 C ALA A 90 0.639 7.760 -4.157 1.00 0.00 C ATOM 1337 O ALA A 90 0.972 6.970 -5.041 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.584 7.187 -2.052 1.00 0.00 C ATOM 0 H ALA A 90 -1.129 5.972 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.181 8.649 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.074 7.868 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.563 7.172 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.158 6.184 -2.038 1.00 0.00 H new ATOM 1344 N LYS A 91 1.429 8.738 -3.728 1.00 0.00 N ATOM 1345 CA LYS A 91 2.762 8.944 -4.281 1.00 0.00 C ATOM 1346 C LYS A 91 3.828 8.811 -3.198 1.00 0.00 C ATOM 1347 O LYS A 91 3.827 9.555 -2.216 1.00 0.00 O ATOM 1348 CB LYS A 91 2.857 10.324 -4.937 1.00 0.00 C ATOM 1349 CG LYS A 91 2.414 10.339 -6.390 1.00 0.00 C ATOM 1350 CD LYS A 91 2.813 11.631 -7.081 1.00 0.00 C ATOM 1351 CE LYS A 91 4.275 11.612 -7.497 1.00 0.00 C ATOM 1352 NZ LYS A 91 4.454 11.061 -8.869 1.00 0.00 N ATOM 0 H LYS A 91 1.169 9.401 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 91 2.937 8.176 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.246 11.028 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.887 10.676 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.857 9.493 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.332 10.216 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.186 11.784 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.635 12.473 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.677 12.624 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.847 11.013 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.464 11.065 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.093 10.086 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.929 11.647 -9.550 1.00 0.00 H new ATOM 1366 N LEU A 92 4.736 7.859 -3.383 1.00 0.00 N ATOM 1367 CA LEU A 92 5.809 7.629 -2.422 1.00 0.00 C ATOM 1368 C LEU A 92 7.155 8.063 -2.994 1.00 0.00 C ATOM 1369 O LEU A 92 7.692 7.423 -3.898 1.00 0.00 O ATOM 1370 CB LEU A 92 5.861 6.151 -2.030 1.00 0.00 C ATOM 1371 CG LEU A 92 6.887 5.777 -0.959 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.476 6.338 0.393 1.00 0.00 C ATOM 1373 CD2 LEU A 92 7.051 4.266 -0.884 1.00 0.00 C ATOM 0 H LEU A 92 4.751 7.234 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 92 5.603 8.227 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.873 5.854 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.070 5.565 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 92 7.847 6.214 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.218 6.062 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.410 7.424 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.505 5.931 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.785 4.017 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.094 3.808 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.392 3.889 -1.848 1.00 0.00 H new ATOM 1385 N SER A 93 7.696 9.152 -2.459 1.00 0.00 N ATOM 1386 CA SER A 93 8.979 9.673 -2.917 1.00 0.00 C ATOM 1387 C SER A 93 10.093 9.309 -1.940 1.00 0.00 C ATOM 1388 O SER A 93 10.004 9.591 -0.746 1.00 0.00 O ATOM 1389 CB SER A 93 8.907 11.192 -3.084 1.00 0.00 C ATOM 1390 OG SER A 93 8.354 11.542 -4.340 1.00 0.00 O ATOM 0 H SER A 93 7.266 9.691 -1.708 1.00 0.00 H new ATOM 0 HA SER A 93 9.204 9.219 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.302 11.620 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.906 11.619 -2.991 1.00 0.00 H new ATOM 0 HG SER A 93 8.317 12.518 -4.421 1.00 0.00 H new ATOM 1396 N VAL A 94 11.144 8.680 -2.458 1.00 0.00 N ATOM 1397 CA VAL A 94 12.277 8.277 -1.634 1.00 0.00 C ATOM 1398 C VAL A 94 13.435 9.258 -1.776 1.00 0.00 C ATOM 1399 O VAL A 94 13.835 9.606 -2.887 1.00 0.00 O ATOM 1400 CB VAL A 94 12.766 6.864 -2.003 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.962 6.473 -1.149 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.639 5.854 -1.852 1.00 0.00 C ATOM 0 H VAL A 94 11.234 8.439 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 94 11.932 8.274 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 94 13.081 6.868 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.294 5.472 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.774 7.182 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.677 6.485 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.002 4.861 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.291 5.849 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.815 6.127 -2.512 1.00 0.00 H new ATOM 1412 N ASP A 95 13.972 9.699 -0.643 1.00 0.00 N ATOM 1413 CA ASP A 95 15.087 10.639 -0.640 1.00 0.00 C ATOM 1414 C ASP A 95 16.336 9.998 -0.043 1.00 0.00 C ATOM 1415 O ASP A 95 16.269 9.320 0.983 1.00 0.00 O ATOM 1416 CB ASP A 95 14.718 11.898 0.146 1.00 0.00 C ATOM 1417 CG ASP A 95 13.484 12.584 -0.405 1.00 0.00 C ATOM 1418 OD1 ASP A 95 12.390 11.986 -0.331 1.00 0.00 O ATOM 1419 OD2 ASP A 95 13.612 13.719 -0.912 1.00 0.00 O ATOM 0 H ASP A 95 13.653 9.420 0.285 1.00 0.00 H new ATOM 0 HA ASP A 95 15.301 10.915 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.548 11.634 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.557 12.594 0.126 1.00 0.00 H new