USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 590 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 THR OG1 : rot -31:sc= 0.203 USER MOD Set 1.2: A 81 THR OG1 : rot 45:sc= 1.19 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-13!) USER MOD Set 2.2: A 71 SER OG : rot 180:sc= -0.0042 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 1.28 F(o=-1.3!,f=1.3) USER MOD Single : A 33 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.87) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.465 USER MOD Single : A 68 SER OG : rot 150:sc=-0.00229 USER MOD ----------------------------------------------------------------- ATOM 63 N HIS A 3 3.464 -8.332 -3.052 1.00 0.00 N ATOM 64 CA HIS A 3 2.334 -7.901 -3.916 1.00 0.00 C ATOM 65 C HIS A 3 2.389 -6.380 -4.049 1.00 0.00 C ATOM 66 O HIS A 3 1.428 -5.740 -4.429 1.00 0.00 O ATOM 67 CB HIS A 3 1.008 -8.315 -3.275 1.00 0.00 C ATOM 68 CG HIS A 3 0.986 -9.808 -3.089 1.00 0.00 C ATOM 69 ND1 HIS A 3 0.883 -10.685 -4.160 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.053 -10.594 -1.965 1.00 0.00 C ATOM 71 CE1 HIS A 3 0.891 -11.936 -3.662 1.00 0.00 C ATOM 72 NE2 HIS A 3 0.993 -11.933 -2.331 1.00 0.00 N ATOM 0 HA HIS A 3 2.410 -8.369 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 3 0.885 -7.816 -2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.174 -8.004 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.139 -10.228 -0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 3 0.823 -12.830 -4.264 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.021 -12.744 -1.712 1.00 0.00 H new ATOM 81 N ALA A 4 3.511 -5.797 -3.719 1.00 0.00 N ATOM 82 CA ALA A 4 3.642 -4.318 -3.802 1.00 0.00 C ATOM 83 C ALA A 4 3.271 -3.842 -5.208 1.00 0.00 C ATOM 84 O ALA A 4 2.589 -2.851 -5.378 1.00 0.00 O ATOM 85 CB ALA A 4 5.089 -3.923 -3.504 1.00 0.00 C ATOM 0 H ALA A 4 4.345 -6.287 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 4 2.973 -3.856 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.190 -2.839 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.359 -4.258 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.751 -4.390 -4.233 1.00 0.00 H new ATOM 91 N SER A 5 3.718 -4.538 -6.217 1.00 0.00 N ATOM 92 CA SER A 5 3.393 -4.122 -7.611 1.00 0.00 C ATOM 93 C SER A 5 1.880 -4.172 -7.829 1.00 0.00 C ATOM 94 O SER A 5 1.311 -3.332 -8.499 1.00 0.00 O ATOM 95 CB SER A 5 4.081 -5.067 -8.597 1.00 0.00 C ATOM 96 OG SER A 5 5.476 -5.095 -8.327 1.00 0.00 O ATOM 0 H SER A 5 4.294 -5.376 -6.137 1.00 0.00 H new ATOM 0 HA SER A 5 3.745 -3.103 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.662 -6.070 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.904 -4.735 -9.620 1.00 0.00 H new ATOM 0 HG SER A 5 5.919 -5.701 -8.957 1.00 0.00 H new ATOM 102 N VAL A 6 1.222 -5.150 -7.272 1.00 0.00 N ATOM 103 CA VAL A 6 -0.253 -5.254 -7.453 1.00 0.00 C ATOM 104 C VAL A 6 -0.939 -4.049 -6.811 1.00 0.00 C ATOM 105 O VAL A 6 -1.816 -3.439 -7.388 1.00 0.00 O ATOM 106 CB VAL A 6 -0.756 -6.537 -6.794 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.284 -6.534 -6.770 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.262 -7.746 -7.592 1.00 0.00 C ATOM 0 H VAL A 6 1.642 -5.882 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.485 -5.274 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.377 -6.594 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.642 -7.450 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.637 -5.673 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.664 -6.477 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.620 -8.662 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.641 -7.688 -8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.828 -7.749 -7.610 1.00 0.00 H new ATOM 118 N ILE A 7 -0.541 -3.701 -5.621 1.00 0.00 N ATOM 119 CA ILE A 7 -1.166 -2.535 -4.933 1.00 0.00 C ATOM 120 C ILE A 7 -0.959 -1.281 -5.778 1.00 0.00 C ATOM 121 O ILE A 7 -1.850 -0.468 -5.941 1.00 0.00 O ATOM 122 CB ILE A 7 -0.497 -2.343 -3.573 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.664 -3.618 -2.744 1.00 0.00 C ATOM 124 CG2 ILE A 7 -1.149 -1.168 -2.842 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.211 -3.538 -1.493 1.00 0.00 C ATOM 0 H ILE A 7 0.192 -4.174 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.233 -2.713 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 7 0.564 -2.135 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.709 -3.745 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.387 -4.489 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.671 -1.032 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.032 -0.261 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.210 -1.373 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.089 -4.448 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.256 -3.432 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.087 -2.677 -0.895 1.00 0.00 H new ATOM 137 N ALA A 8 0.216 -1.117 -6.317 1.00 0.00 N ATOM 138 CA ALA A 8 0.491 0.080 -7.152 1.00 0.00 C ATOM 139 C ALA A 8 -0.462 0.088 -8.348 1.00 0.00 C ATOM 140 O ALA A 8 -0.929 1.124 -8.777 1.00 0.00 O ATOM 141 CB ALA A 8 1.937 0.025 -7.645 1.00 0.00 C ATOM 0 H ALA A 8 0.999 -1.763 -6.214 1.00 0.00 H new ATOM 0 HA ALA A 8 0.342 0.986 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.146 0.901 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.613 0.012 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.085 -0.877 -8.238 1.00 0.00 H new ATOM 147 N GLN A 9 -0.756 -1.063 -8.889 1.00 0.00 N ATOM 148 CA GLN A 9 -1.679 -1.125 -10.055 1.00 0.00 C ATOM 149 C GLN A 9 -3.082 -0.670 -9.640 1.00 0.00 C ATOM 150 O GLN A 9 -3.763 0.018 -10.372 1.00 0.00 O ATOM 151 CB GLN A 9 -1.744 -2.562 -10.578 1.00 0.00 C ATOM 152 CG GLN A 9 -2.547 -2.597 -11.879 1.00 0.00 C ATOM 153 CD GLN A 9 -2.693 -4.046 -12.350 1.00 0.00 C ATOM 154 OE1 GLN A 9 -2.054 -4.992 -11.718 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -3.393 -4.319 -13.305 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.396 -1.963 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.307 -0.465 -10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.737 -2.943 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.208 -3.210 -9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.530 -2.153 -11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.046 -2.003 -12.644 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.893 -3.580 -13.799 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.481 -5.288 -13.613 1.00 0.00 H new ATOM 164 N PHE A 10 -3.525 -1.059 -8.476 1.00 0.00 N ATOM 165 CA PHE A 10 -4.890 -0.656 -8.026 1.00 0.00 C ATOM 166 C PHE A 10 -4.992 0.864 -7.907 1.00 0.00 C ATOM 167 O PHE A 10 -5.911 1.471 -8.417 1.00 0.00 O ATOM 168 CB PHE A 10 -5.191 -1.284 -6.663 1.00 0.00 C ATOM 169 CG PHE A 10 -5.744 -2.678 -6.846 1.00 0.00 C ATOM 170 CD1 PHE A 10 -7.093 -2.855 -7.175 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.914 -3.792 -6.676 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.612 -4.146 -7.333 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.432 -5.083 -6.836 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.781 -5.259 -7.164 1.00 0.00 C ATOM 0 H PHE A 10 -3.003 -1.637 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.611 -1.004 -8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.283 -1.321 -6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.908 -0.668 -6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.734 -1.996 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.873 -3.656 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.653 -4.283 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.791 -5.942 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.181 -6.255 -7.287 1.00 0.00 H new ATOM 184 N VAL A 11 -4.067 1.486 -7.236 1.00 0.00 N ATOM 185 CA VAL A 11 -4.138 2.965 -7.092 1.00 0.00 C ATOM 186 C VAL A 11 -3.999 3.614 -8.469 1.00 0.00 C ATOM 187 O VAL A 11 -4.682 4.568 -8.786 1.00 0.00 O ATOM 188 CB VAL A 11 -3.013 3.446 -6.174 1.00 0.00 C ATOM 189 CG1 VAL A 11 -3.258 2.935 -4.754 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.677 2.906 -6.681 1.00 0.00 C ATOM 0 H VAL A 11 -3.270 1.039 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.097 3.245 -6.656 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.990 4.536 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.456 3.278 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.212 3.317 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.281 1.845 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.875 3.248 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.703 1.816 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.499 3.268 -7.694 1.00 0.00 H new ATOM 200 N VAL A 12 -3.127 3.103 -9.294 1.00 0.00 N ATOM 201 CA VAL A 12 -2.960 3.692 -10.650 1.00 0.00 C ATOM 202 C VAL A 12 -4.262 3.524 -11.439 1.00 0.00 C ATOM 203 O VAL A 12 -4.744 4.448 -12.063 1.00 0.00 O ATOM 204 CB VAL A 12 -1.820 2.978 -11.378 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.745 3.464 -12.827 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.497 3.286 -10.674 1.00 0.00 C ATOM 0 H VAL A 12 -2.525 2.306 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.723 4.752 -10.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.004 1.904 -11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.931 2.952 -13.341 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.686 3.248 -13.332 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.564 4.539 -12.841 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.317 2.778 -11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.320 4.361 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.544 2.938 -9.642 1.00 0.00 H new ATOM 216 N GLU A 13 -4.836 2.350 -11.412 1.00 0.00 N ATOM 217 CA GLU A 13 -6.106 2.120 -12.154 1.00 0.00 C ATOM 218 C GLU A 13 -7.250 2.874 -11.474 1.00 0.00 C ATOM 219 O GLU A 13 -8.210 3.269 -12.105 1.00 0.00 O ATOM 220 CB GLU A 13 -6.416 0.627 -12.168 1.00 0.00 C ATOM 221 CG GLU A 13 -5.375 -0.102 -13.014 1.00 0.00 C ATOM 222 CD GLU A 13 -5.719 -1.591 -13.080 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.616 -2.005 -12.362 1.00 0.00 O ATOM 224 OE2 GLU A 13 -5.082 -2.293 -13.848 1.00 0.00 O ATOM 0 H GLU A 13 -4.478 1.540 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.999 2.483 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.413 0.235 -11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.414 0.456 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.348 0.320 -14.019 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.383 0.034 -12.584 1.00 0.00 H new ATOM 231 N GLU A 14 -7.159 3.058 -10.189 1.00 0.00 N ATOM 232 CA GLU A 14 -8.244 3.766 -9.454 1.00 0.00 C ATOM 233 C GLU A 14 -8.345 5.223 -9.914 1.00 0.00 C ATOM 234 O GLU A 14 -9.408 5.810 -9.880 1.00 0.00 O ATOM 235 CB GLU A 14 -7.946 3.727 -7.953 1.00 0.00 C ATOM 236 CG GLU A 14 -9.135 4.303 -7.180 1.00 0.00 C ATOM 237 CD GLU A 14 -8.795 4.360 -5.689 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.686 3.990 -5.340 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.649 4.772 -4.922 1.00 0.00 O ATOM 0 H GLU A 14 -6.377 2.748 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.191 3.268 -9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.755 2.702 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.045 4.301 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.373 5.301 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.019 3.686 -7.339 1.00 0.00 H new ATOM 246 N PHE A 15 -7.256 5.821 -10.324 1.00 0.00 N ATOM 247 CA PHE A 15 -7.315 7.250 -10.758 1.00 0.00 C ATOM 248 C PHE A 15 -6.605 7.449 -12.102 1.00 0.00 C ATOM 249 O PHE A 15 -7.117 8.114 -12.981 1.00 0.00 O ATOM 250 CB PHE A 15 -6.648 8.125 -9.694 1.00 0.00 C ATOM 251 CG PHE A 15 -6.820 9.580 -10.055 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.048 10.215 -9.839 1.00 0.00 C ATOM 253 CD2 PHE A 15 -5.750 10.294 -10.609 1.00 0.00 C ATOM 254 CE1 PHE A 15 -8.208 11.564 -10.176 1.00 0.00 C ATOM 255 CE2 PHE A 15 -5.910 11.644 -10.947 1.00 0.00 C ATOM 256 CZ PHE A 15 -7.140 12.279 -10.730 1.00 0.00 C ATOM 0 H PHE A 15 -6.335 5.386 -10.377 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.360 7.534 -10.879 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.090 7.928 -8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.588 7.881 -9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.873 9.664 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.802 9.804 -10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.156 12.053 -10.008 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.086 12.195 -11.375 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.264 13.320 -10.990 1.00 0.00 H new ATOM 266 N LEU A 16 -5.429 6.900 -12.268 1.00 0.00 N ATOM 267 CA LEU A 16 -4.694 7.089 -13.555 1.00 0.00 C ATOM 268 C LEU A 16 -4.475 5.741 -14.249 1.00 0.00 C ATOM 269 O LEU A 16 -3.405 5.172 -14.180 1.00 0.00 O ATOM 270 CB LEU A 16 -3.335 7.723 -13.258 1.00 0.00 C ATOM 271 CG LEU A 16 -3.445 9.242 -13.379 1.00 0.00 C ATOM 272 CD1 LEU A 16 -2.335 9.902 -12.560 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.307 9.649 -14.848 1.00 0.00 C ATOM 0 H LEU A 16 -4.948 6.331 -11.571 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.281 7.732 -14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.006 7.450 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.586 7.345 -13.954 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.415 9.566 -13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.414 10.986 -12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.434 9.614 -11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.364 9.578 -12.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.386 10.733 -14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.338 9.324 -15.226 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.099 9.180 -15.431 1.00 0.00 H new ATOM 285 N PRO A 17 -5.476 5.239 -14.924 1.00 0.00 N ATOM 286 CA PRO A 17 -5.378 3.944 -15.652 1.00 0.00 C ATOM 287 C PRO A 17 -4.592 4.072 -16.960 1.00 0.00 C ATOM 288 O PRO A 17 -4.194 3.089 -17.554 1.00 0.00 O ATOM 289 CB PRO A 17 -6.833 3.565 -15.929 1.00 0.00 C ATOM 290 CG PRO A 17 -7.599 4.849 -15.917 1.00 0.00 C ATOM 291 CD PRO A 17 -6.809 5.848 -15.067 1.00 0.00 C ATOM 0 HA PRO A 17 -4.842 3.194 -15.071 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.929 3.061 -16.891 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.209 2.878 -15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.729 5.227 -16.931 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.596 4.697 -15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.750 6.822 -15.552 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.280 6.003 -14.097 1.00 0.00 H new ATOM 299 N ASP A 18 -4.368 5.275 -17.414 1.00 0.00 N ATOM 300 CA ASP A 18 -3.612 5.467 -18.680 1.00 0.00 C ATOM 301 C ASP A 18 -2.114 5.562 -18.379 1.00 0.00 C ATOM 302 O ASP A 18 -1.312 5.814 -19.257 1.00 0.00 O ATOM 303 CB ASP A 18 -4.080 6.756 -19.349 1.00 0.00 C ATOM 304 CG ASP A 18 -5.524 6.592 -19.825 1.00 0.00 C ATOM 305 OD1 ASP A 18 -6.004 5.470 -19.827 1.00 0.00 O ATOM 306 OD2 ASP A 18 -6.128 7.592 -20.180 1.00 0.00 O ATOM 0 H ASP A 18 -4.678 6.134 -16.960 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.790 4.621 -19.343 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.010 7.588 -18.648 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.433 6.995 -20.193 1.00 0.00 H new ATOM 311 N VAL A 19 -1.732 5.363 -17.145 1.00 0.00 N ATOM 312 CA VAL A 19 -0.285 5.442 -16.784 1.00 0.00 C ATOM 313 C VAL A 19 0.220 4.055 -16.383 1.00 0.00 C ATOM 314 O VAL A 19 -0.425 3.338 -15.644 1.00 0.00 O ATOM 315 CB VAL A 19 -0.107 6.406 -15.610 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.383 6.561 -15.297 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.691 7.771 -15.979 1.00 0.00 C ATOM 0 H VAL A 19 -2.360 5.149 -16.370 1.00 0.00 H new ATOM 0 HA VAL A 19 0.284 5.801 -17.642 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.624 6.011 -14.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.509 7.248 -14.460 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.803 5.590 -15.036 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.899 6.956 -16.172 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.565 8.459 -15.143 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.173 8.164 -16.854 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.752 7.664 -16.204 1.00 0.00 H new ATOM 327 N ALA A 20 1.370 3.671 -16.865 1.00 0.00 N ATOM 328 CA ALA A 20 1.916 2.331 -16.512 1.00 0.00 C ATOM 329 C ALA A 20 2.411 2.347 -15.053 1.00 0.00 C ATOM 330 O ALA A 20 3.324 3.080 -14.726 1.00 0.00 O ATOM 331 CB ALA A 20 3.096 2.015 -17.435 1.00 0.00 C ATOM 0 H ALA A 20 1.955 4.228 -17.488 1.00 0.00 H new ATOM 0 HA ALA A 20 1.138 1.576 -16.627 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.502 1.035 -17.184 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.757 2.012 -18.471 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.870 2.772 -17.308 1.00 0.00 H new ATOM 337 N PRO A 21 1.835 1.549 -14.177 1.00 0.00 N ATOM 338 CA PRO A 21 2.270 1.503 -12.749 1.00 0.00 C ATOM 339 C PRO A 21 3.780 1.287 -12.615 1.00 0.00 C ATOM 340 O PRO A 21 4.386 1.654 -11.626 1.00 0.00 O ATOM 341 CB PRO A 21 1.521 0.303 -12.165 1.00 0.00 C ATOM 342 CG PRO A 21 0.347 0.080 -13.055 1.00 0.00 C ATOM 343 CD PRO A 21 0.718 0.623 -14.436 1.00 0.00 C ATOM 0 HA PRO A 21 2.054 2.441 -12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.161 -0.579 -12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.203 0.502 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.103 -0.981 -13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.534 0.590 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.015 -0.179 -15.112 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.124 1.136 -14.901 1.00 0.00 H new ATOM 351 N ALA A 22 4.390 0.691 -13.600 1.00 0.00 N ATOM 352 CA ALA A 22 5.859 0.445 -13.534 1.00 0.00 C ATOM 353 C ALA A 22 6.606 1.781 -13.520 1.00 0.00 C ATOM 354 O ALA A 22 7.731 1.868 -13.072 1.00 0.00 O ATOM 355 CB ALA A 22 6.293 -0.368 -14.755 1.00 0.00 C ATOM 0 H ALA A 22 3.934 0.362 -14.451 1.00 0.00 H new ATOM 0 HA ALA A 22 6.092 -0.108 -12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.367 -0.549 -14.709 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.764 -1.321 -14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.057 0.186 -15.664 1.00 0.00 H new ATOM 361 N ASP A 23 5.991 2.821 -14.011 1.00 0.00 N ATOM 362 CA ASP A 23 6.670 4.148 -14.030 1.00 0.00 C ATOM 363 C ASP A 23 6.491 4.843 -12.676 1.00 0.00 C ATOM 364 O ASP A 23 6.845 5.993 -12.510 1.00 0.00 O ATOM 365 CB ASP A 23 6.068 5.016 -15.139 1.00 0.00 C ATOM 366 CG ASP A 23 4.595 5.302 -14.834 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.179 5.045 -13.718 1.00 0.00 O ATOM 368 OD2 ASP A 23 3.909 5.774 -15.725 1.00 0.00 O ATOM 0 H ASP A 23 5.048 2.810 -14.400 1.00 0.00 H new ATOM 0 HA ASP A 23 7.734 4.005 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.620 5.952 -15.220 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.158 4.508 -16.099 1.00 0.00 H new ATOM 373 N VAL A 24 5.946 4.156 -11.708 1.00 0.00 N ATOM 374 CA VAL A 24 5.749 4.782 -10.369 1.00 0.00 C ATOM 375 C VAL A 24 6.789 4.234 -9.397 1.00 0.00 C ATOM 376 O VAL A 24 7.011 3.042 -9.321 1.00 0.00 O ATOM 377 CB VAL A 24 4.359 4.435 -9.838 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.046 5.303 -8.619 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.314 4.683 -10.928 1.00 0.00 C ATOM 0 H VAL A 24 5.629 3.190 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 24 5.852 5.863 -10.462 1.00 0.00 H new ATOM 0 HB VAL A 24 4.335 3.384 -9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.054 5.055 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.787 5.119 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.073 6.355 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.324 4.435 -10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.337 5.732 -11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.536 4.059 -11.794 1.00 0.00 H new ATOM 389 N ASP A 25 7.424 5.085 -8.643 1.00 0.00 N ATOM 390 CA ASP A 25 8.435 4.589 -7.674 1.00 0.00 C ATOM 391 C ASP A 25 7.739 4.271 -6.350 1.00 0.00 C ATOM 392 O ASP A 25 7.137 5.128 -5.735 1.00 0.00 O ATOM 393 CB ASP A 25 9.496 5.668 -7.445 1.00 0.00 C ATOM 394 CG ASP A 25 10.272 5.902 -8.743 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.148 5.085 -9.639 1.00 0.00 O ATOM 396 OD2 ASP A 25 10.977 6.896 -8.816 1.00 0.00 O ATOM 0 H ASP A 25 7.287 6.096 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 25 8.913 3.691 -8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.024 6.595 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.177 5.361 -6.651 1.00 0.00 H new ATOM 401 N VAL A 26 7.818 3.049 -5.905 1.00 0.00 N ATOM 402 CA VAL A 26 7.163 2.686 -4.622 1.00 0.00 C ATOM 403 C VAL A 26 7.985 3.240 -3.458 1.00 0.00 C ATOM 404 O VAL A 26 7.671 3.018 -2.307 1.00 0.00 O ATOM 405 CB VAL A 26 7.087 1.163 -4.514 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.382 0.598 -5.748 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.501 0.587 -4.427 1.00 0.00 C ATOM 0 H VAL A 26 8.308 2.287 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 26 6.158 3.107 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 26 6.527 0.890 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.328 -0.488 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.374 1.008 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.941 0.871 -6.643 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.447 -0.499 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.061 0.860 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.004 0.989 -3.547 1.00 0.00 H new ATOM 417 N ASP A 27 9.029 3.972 -3.747 1.00 0.00 N ATOM 418 CA ASP A 27 9.858 4.547 -2.656 1.00 0.00 C ATOM 419 C ASP A 27 9.390 5.970 -2.366 1.00 0.00 C ATOM 420 O ASP A 27 9.924 6.653 -1.514 1.00 0.00 O ATOM 421 CB ASP A 27 11.323 4.559 -3.094 1.00 0.00 C ATOM 422 CG ASP A 27 11.497 5.476 -4.308 1.00 0.00 C ATOM 423 OD1 ASP A 27 10.583 6.230 -4.594 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.543 5.406 -4.931 1.00 0.00 O ATOM 0 H ASP A 27 9.340 4.194 -4.692 1.00 0.00 H new ATOM 0 HA ASP A 27 9.756 3.945 -1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.954 4.903 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.646 3.548 -3.342 1.00 0.00 H new ATOM 429 N LEU A 28 8.384 6.417 -3.063 1.00 0.00 N ATOM 430 CA LEU A 28 7.862 7.789 -2.826 1.00 0.00 C ATOM 431 C LEU A 28 6.611 7.684 -1.962 1.00 0.00 C ATOM 432 O LEU A 28 5.758 6.851 -2.195 1.00 0.00 O ATOM 433 CB LEU A 28 7.509 8.442 -4.162 1.00 0.00 C ATOM 434 CG LEU A 28 7.052 9.883 -3.922 1.00 0.00 C ATOM 435 CD1 LEU A 28 8.225 10.722 -3.411 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.538 10.476 -5.237 1.00 0.00 C ATOM 0 H LEU A 28 7.900 5.889 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 28 8.616 8.396 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.374 8.429 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.720 7.877 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 28 6.255 9.889 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.893 11.746 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.593 10.301 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.025 10.717 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.211 11.502 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.337 10.465 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.699 9.883 -5.600 1.00 0.00 H new ATOM 448 N ASP A 29 6.491 8.503 -0.959 1.00 0.00 N ATOM 449 CA ASP A 29 5.288 8.409 -0.095 1.00 0.00 C ATOM 450 C ASP A 29 4.040 8.593 -0.958 1.00 0.00 C ATOM 451 O ASP A 29 3.913 9.547 -1.697 1.00 0.00 O ATOM 452 CB ASP A 29 5.337 9.491 0.984 1.00 0.00 C ATOM 453 CG ASP A 29 6.501 9.211 1.937 1.00 0.00 C ATOM 454 OD1 ASP A 29 7.041 8.119 1.875 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.832 10.092 2.713 1.00 0.00 O ATOM 0 H ASP A 29 7.165 9.225 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 29 5.259 7.432 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.457 10.472 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.398 9.511 1.537 1.00 0.00 H new ATOM 460 N LEU A 30 3.128 7.669 -0.873 1.00 0.00 N ATOM 461 CA LEU A 30 1.887 7.752 -1.689 1.00 0.00 C ATOM 462 C LEU A 30 1.036 8.948 -1.257 1.00 0.00 C ATOM 463 O LEU A 30 0.419 9.606 -2.070 1.00 0.00 O ATOM 464 CB LEU A 30 1.087 6.459 -1.506 1.00 0.00 C ATOM 465 CG LEU A 30 -0.114 6.457 -2.449 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.372 6.477 -3.899 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.940 5.191 -2.210 1.00 0.00 C ATOM 0 H LEU A 30 3.190 6.851 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 30 2.156 7.883 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.721 5.596 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.750 6.372 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.726 7.339 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.487 6.476 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.966 7.375 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.983 5.595 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.799 5.185 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.324 4.313 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.287 5.172 -1.177 1.00 0.00 H new ATOM 479 N VAL A 31 0.979 9.229 0.014 1.00 0.00 N ATOM 480 CA VAL A 31 0.146 10.375 0.481 1.00 0.00 C ATOM 481 C VAL A 31 0.732 11.702 0.001 1.00 0.00 C ATOM 482 O VAL A 31 0.009 12.614 -0.347 1.00 0.00 O ATOM 483 CB VAL A 31 0.068 10.374 2.001 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.575 11.682 2.464 1.00 0.00 C ATOM 485 CG2 VAL A 31 -0.793 9.195 2.453 1.00 0.00 C ATOM 0 H VAL A 31 1.470 8.719 0.748 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.855 10.263 0.064 1.00 0.00 H new ATOM 0 HB VAL A 31 1.066 10.284 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.636 11.692 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.029 12.524 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.577 11.763 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.855 9.186 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.794 9.294 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.345 8.264 2.107 1.00 0.00 H new ATOM 495 N ASP A 32 2.028 11.830 -0.024 1.00 0.00 N ATOM 496 CA ASP A 32 2.623 13.114 -0.488 1.00 0.00 C ATOM 497 C ASP A 32 2.026 13.448 -1.850 1.00 0.00 C ATOM 498 O ASP A 32 1.824 14.596 -2.193 1.00 0.00 O ATOM 499 CB ASP A 32 4.142 12.974 -0.607 1.00 0.00 C ATOM 500 CG ASP A 32 4.758 12.885 0.791 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.022 13.036 1.752 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.956 12.667 0.877 1.00 0.00 O ATOM 0 H ASP A 32 2.695 11.110 0.253 1.00 0.00 H new ATOM 0 HA ASP A 32 2.405 13.908 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.392 12.083 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.555 13.827 -1.144 1.00 0.00 H new ATOM 507 N ASN A 33 1.733 12.443 -2.623 1.00 0.00 N ATOM 508 CA ASN A 33 1.133 12.673 -3.963 1.00 0.00 C ATOM 509 C ASN A 33 -0.307 13.164 -3.808 1.00 0.00 C ATOM 510 O ASN A 33 -0.797 13.942 -4.602 1.00 0.00 O ATOM 511 CB ASN A 33 1.130 11.356 -4.732 1.00 0.00 C ATOM 512 CG ASN A 33 2.562 10.983 -5.120 1.00 0.00 C ATOM 513 OD1 ASN A 33 2.966 9.846 -4.974 1.00 0.00 O ATOM 514 ND2 ASN A 33 3.351 11.898 -5.612 1.00 0.00 N ATOM 0 H ASN A 33 1.885 11.464 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 33 1.714 13.423 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.691 10.568 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.513 11.447 -5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.307 11.659 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.012 12.852 -5.734 1.00 0.00 H new ATOM 521 N GLY A 34 -0.993 12.706 -2.798 1.00 0.00 N ATOM 522 CA GLY A 34 -2.407 13.133 -2.599 1.00 0.00 C ATOM 523 C GLY A 34 -3.327 12.141 -3.307 1.00 0.00 C ATOM 524 O GLY A 34 -4.526 12.324 -3.373 1.00 0.00 O ATOM 0 H GLY A 34 -0.635 12.053 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.643 13.173 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.557 14.137 -2.997 1.00 0.00 H new ATOM 528 N VAL A 35 -2.769 11.088 -3.834 1.00 0.00 N ATOM 529 CA VAL A 35 -3.597 10.072 -4.537 1.00 0.00 C ATOM 530 C VAL A 35 -4.599 9.471 -3.552 1.00 0.00 C ATOM 531 O VAL A 35 -5.701 9.109 -3.914 1.00 0.00 O ATOM 532 CB VAL A 35 -2.694 8.965 -5.086 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.556 7.837 -5.654 1.00 0.00 C ATOM 534 CG2 VAL A 35 -1.808 9.536 -6.194 1.00 0.00 C ATOM 0 H VAL A 35 -1.769 10.887 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.131 10.543 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.069 8.574 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.912 7.049 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.189 7.431 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.182 8.226 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.164 8.749 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.435 9.926 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.193 10.340 -5.790 1.00 0.00 H new ATOM 544 N ILE A 36 -4.223 9.358 -2.307 1.00 0.00 N ATOM 545 CA ILE A 36 -5.152 8.775 -1.303 1.00 0.00 C ATOM 546 C ILE A 36 -5.956 9.891 -0.638 1.00 0.00 C ATOM 547 O ILE A 36 -5.411 10.795 -0.038 1.00 0.00 O ATOM 548 CB ILE A 36 -4.344 8.030 -0.239 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.486 6.965 -0.913 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.293 7.353 0.743 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.504 6.375 0.103 1.00 0.00 C ATOM 0 H ILE A 36 -3.314 9.644 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.834 8.084 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.709 8.738 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.120 6.177 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.940 7.400 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.716 6.823 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.917 8.106 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.926 6.645 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.892 5.614 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.861 7.166 0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.059 5.924 0.926 1.00 0.00 H new ATOM 563 N ASP A 37 -7.254 9.827 -0.744 1.00 0.00 N ATOM 564 CA ASP A 37 -8.120 10.864 -0.130 1.00 0.00 C ATOM 565 C ASP A 37 -9.058 10.199 0.878 1.00 0.00 C ATOM 566 O ASP A 37 -8.903 9.041 1.211 1.00 0.00 O ATOM 567 CB ASP A 37 -8.943 11.535 -1.227 1.00 0.00 C ATOM 568 CG ASP A 37 -8.025 12.374 -2.118 1.00 0.00 C ATOM 569 OD1 ASP A 37 -6.879 12.564 -1.742 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.482 12.814 -3.160 1.00 0.00 O ATOM 0 H ASP A 37 -7.755 9.089 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.509 11.610 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.455 10.781 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.712 12.167 -0.783 1.00 0.00 H new ATOM 575 N ALA A 38 -10.032 10.917 1.363 1.00 0.00 N ATOM 576 CA ALA A 38 -10.977 10.311 2.344 1.00 0.00 C ATOM 577 C ALA A 38 -11.728 9.173 1.658 1.00 0.00 C ATOM 578 O ALA A 38 -11.719 8.044 2.109 1.00 0.00 O ATOM 579 CB ALA A 38 -11.973 11.370 2.819 1.00 0.00 C ATOM 0 H ALA A 38 -10.215 11.892 1.125 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.427 9.930 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.663 10.925 3.536 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.434 12.189 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.533 11.752 1.965 1.00 0.00 H new ATOM 585 N LEU A 39 -12.347 9.456 0.548 1.00 0.00 N ATOM 586 CA LEU A 39 -13.062 8.390 -0.193 1.00 0.00 C ATOM 587 C LEU A 39 -12.007 7.474 -0.792 1.00 0.00 C ATOM 588 O LEU A 39 -12.188 6.278 -0.908 1.00 0.00 O ATOM 589 CB LEU A 39 -13.908 9.008 -1.306 1.00 0.00 C ATOM 590 CG LEU A 39 -15.082 9.773 -0.694 1.00 0.00 C ATOM 591 CD1 LEU A 39 -14.574 11.033 0.013 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.060 10.172 -1.802 1.00 0.00 C ATOM 0 H LEU A 39 -12.387 10.382 0.123 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.726 7.835 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.298 9.680 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.277 8.228 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 39 -15.586 9.135 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.417 11.572 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.879 10.751 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.065 11.674 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.898 10.718 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.550 10.807 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.430 9.276 -2.301 1.00 0.00 H new ATOM 604 N GLY A 40 -10.892 8.042 -1.161 1.00 0.00 N ATOM 605 CA GLY A 40 -9.797 7.229 -1.744 1.00 0.00 C ATOM 606 C GLY A 40 -9.374 6.173 -0.728 1.00 0.00 C ATOM 607 O GLY A 40 -9.169 5.022 -1.056 1.00 0.00 O ATOM 0 H GLY A 40 -10.695 9.040 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.130 6.753 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.950 7.865 -2.001 1.00 0.00 H new ATOM 611 N LEU A 41 -9.256 6.557 0.513 1.00 0.00 N ATOM 612 CA LEU A 41 -8.864 5.584 1.561 1.00 0.00 C ATOM 613 C LEU A 41 -9.959 4.528 1.696 1.00 0.00 C ATOM 614 O LEU A 41 -9.690 3.349 1.823 1.00 0.00 O ATOM 615 CB LEU A 41 -8.691 6.328 2.884 1.00 0.00 C ATOM 616 CG LEU A 41 -8.216 5.358 3.964 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.151 6.041 4.823 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.406 4.970 4.843 1.00 0.00 C ATOM 0 H LEU A 41 -9.416 7.508 0.844 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.927 5.096 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.970 7.137 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.635 6.784 3.182 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.793 4.466 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.809 5.352 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.308 6.330 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.576 6.929 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.076 4.277 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.821 5.864 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.170 4.492 4.230 1.00 0.00 H new ATOM 630 N LEU A 42 -11.196 4.939 1.660 1.00 0.00 N ATOM 631 CA LEU A 42 -12.308 3.955 1.780 1.00 0.00 C ATOM 632 C LEU A 42 -12.206 2.946 0.638 1.00 0.00 C ATOM 633 O LEU A 42 -12.321 1.752 0.834 1.00 0.00 O ATOM 634 CB LEU A 42 -13.642 4.702 1.675 1.00 0.00 C ATOM 635 CG LEU A 42 -14.809 3.716 1.771 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.321 3.663 3.211 1.00 0.00 C ATOM 637 CD2 LEU A 42 -15.933 4.175 0.840 1.00 0.00 C ATOM 0 H LEU A 42 -11.485 5.911 1.553 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.247 3.435 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.716 5.443 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.691 5.243 0.730 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.473 2.722 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.152 2.960 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.517 3.337 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.659 4.654 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.767 3.476 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.268 5.169 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.565 4.208 -0.186 1.00 0.00 H new ATOM 649 N LYS A 43 -11.994 3.420 -0.550 1.00 0.00 N ATOM 650 CA LYS A 43 -11.887 2.501 -1.712 1.00 0.00 C ATOM 651 C LYS A 43 -10.710 1.545 -1.506 1.00 0.00 C ATOM 652 O LYS A 43 -10.748 0.399 -1.907 1.00 0.00 O ATOM 653 CB LYS A 43 -11.664 3.316 -2.983 1.00 0.00 C ATOM 654 CG LYS A 43 -12.907 4.154 -3.286 1.00 0.00 C ATOM 655 CD LYS A 43 -12.719 4.884 -4.617 1.00 0.00 C ATOM 656 CE LYS A 43 -13.915 5.804 -4.872 1.00 0.00 C ATOM 657 NZ LYS A 43 -13.459 7.018 -5.606 1.00 0.00 N ATOM 0 H LYS A 43 -11.889 4.410 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.808 1.925 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.797 3.965 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.450 2.651 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.788 3.514 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.077 4.874 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.798 5.466 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.623 4.163 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.674 5.279 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.376 6.089 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.271 7.644 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.749 7.522 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.038 6.737 -6.514 1.00 0.00 H new ATOM 671 N VAL A 44 -9.659 2.015 -0.890 1.00 0.00 N ATOM 672 CA VAL A 44 -8.470 1.145 -0.666 1.00 0.00 C ATOM 673 C VAL A 44 -8.848 -0.048 0.211 1.00 0.00 C ATOM 674 O VAL A 44 -8.554 -1.184 -0.107 1.00 0.00 O ATOM 675 CB VAL A 44 -7.375 1.958 0.027 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.248 1.022 0.470 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.819 2.996 -0.949 1.00 0.00 C ATOM 0 H VAL A 44 -9.573 2.966 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.109 0.778 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.792 2.463 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.467 1.601 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.643 0.280 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.830 0.518 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.039 3.577 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.401 2.490 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.621 3.662 -1.267 1.00 0.00 H new ATOM 687 N ILE A 45 -9.492 0.198 1.315 1.00 0.00 N ATOM 688 CA ILE A 45 -9.883 -0.916 2.219 1.00 0.00 C ATOM 689 C ILE A 45 -10.953 -1.795 1.563 1.00 0.00 C ATOM 690 O ILE A 45 -11.017 -2.981 1.804 1.00 0.00 O ATOM 691 CB ILE A 45 -10.435 -0.334 3.520 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.299 0.278 4.349 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.102 -1.447 4.322 1.00 0.00 C ATOM 694 CD1 ILE A 45 -9.018 1.703 3.868 1.00 0.00 C ATOM 0 H ILE A 45 -9.766 1.128 1.632 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.005 -1.529 2.423 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.162 0.444 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.571 0.287 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.400 -0.331 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.498 -1.038 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.916 -1.878 3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.369 -2.221 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.210 2.134 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.727 1.682 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.916 2.310 3.984 1.00 0.00 H new ATOM 706 N ALA A 46 -11.814 -1.227 0.764 1.00 0.00 N ATOM 707 CA ALA A 46 -12.892 -2.048 0.139 1.00 0.00 C ATOM 708 C ALA A 46 -12.306 -3.096 -0.815 1.00 0.00 C ATOM 709 O ALA A 46 -12.634 -4.265 -0.740 1.00 0.00 O ATOM 710 CB ALA A 46 -13.829 -1.129 -0.643 1.00 0.00 C ATOM 0 H ALA A 46 -11.819 -0.237 0.517 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.435 -2.566 0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.620 -1.722 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.271 -0.398 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.266 -0.611 -1.419 1.00 0.00 H new ATOM 716 N TRP A 47 -11.447 -2.701 -1.712 1.00 0.00 N ATOM 717 CA TRP A 47 -10.868 -3.699 -2.657 1.00 0.00 C ATOM 718 C TRP A 47 -9.723 -4.447 -1.982 1.00 0.00 C ATOM 719 O TRP A 47 -9.608 -5.651 -2.090 1.00 0.00 O ATOM 720 CB TRP A 47 -10.344 -2.995 -3.910 1.00 0.00 C ATOM 721 CG TRP A 47 -8.891 -3.308 -4.080 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.384 -4.515 -4.426 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.755 -2.420 -3.916 1.00 0.00 C ATOM 724 NE1 TRP A 47 -7.004 -4.422 -4.472 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.568 -3.147 -4.166 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.643 -1.066 -3.573 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.311 -2.547 -4.076 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.382 -0.455 -3.482 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.218 -1.195 -3.732 1.00 0.00 C ATOM 0 H TRP A 47 -11.123 -1.741 -1.833 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.648 -4.406 -2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.904 -3.322 -4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.488 -1.918 -3.824 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.962 -5.404 -4.632 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.385 -5.199 -4.703 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.534 -0.488 -3.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.418 -3.122 -4.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.309 0.590 -3.218 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.250 -0.721 -3.659 1.00 0.00 H new ATOM 740 N LEU A 48 -8.863 -3.743 -1.304 1.00 0.00 N ATOM 741 CA LEU A 48 -7.711 -4.411 -0.642 1.00 0.00 C ATOM 742 C LEU A 48 -8.216 -5.467 0.343 1.00 0.00 C ATOM 743 O LEU A 48 -7.673 -6.550 0.440 1.00 0.00 O ATOM 744 CB LEU A 48 -6.889 -3.360 0.109 1.00 0.00 C ATOM 745 CG LEU A 48 -5.613 -3.992 0.664 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.594 -4.191 -0.463 1.00 0.00 C ATOM 747 CD2 LEU A 48 -5.017 -3.070 1.730 1.00 0.00 C ATOM 0 H LEU A 48 -8.908 -2.732 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.091 -4.897 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.636 -2.538 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.479 -2.938 0.923 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.853 -4.960 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.688 -4.642 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.017 -4.847 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.352 -3.226 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.106 -3.516 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.782 -2.103 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.737 -2.933 2.536 1.00 0.00 H new ATOM 759 N GLU A 49 -9.247 -5.168 1.079 1.00 0.00 N ATOM 760 CA GLU A 49 -9.774 -6.165 2.045 1.00 0.00 C ATOM 761 C GLU A 49 -10.505 -7.278 1.285 1.00 0.00 C ATOM 762 O GLU A 49 -10.479 -8.430 1.670 1.00 0.00 O ATOM 763 CB GLU A 49 -10.731 -5.474 3.018 1.00 0.00 C ATOM 764 CG GLU A 49 -12.077 -5.238 2.338 1.00 0.00 C ATOM 765 CD GLU A 49 -12.950 -6.486 2.476 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.442 -7.493 2.942 1.00 0.00 O ATOM 767 OE2 GLU A 49 -14.112 -6.414 2.113 1.00 0.00 O ATOM 0 H GLU A 49 -9.746 -4.279 1.053 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.950 -6.603 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.866 -6.088 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.308 -4.525 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.577 -4.381 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.927 -5.002 1.284 1.00 0.00 H new ATOM 774 N ASP A 50 -11.172 -6.933 0.216 1.00 0.00 N ATOM 775 CA ASP A 50 -11.927 -7.953 -0.569 1.00 0.00 C ATOM 776 C ASP A 50 -10.991 -9.007 -1.174 1.00 0.00 C ATOM 777 O ASP A 50 -11.309 -10.178 -1.212 1.00 0.00 O ATOM 778 CB ASP A 50 -12.677 -7.249 -1.696 1.00 0.00 C ATOM 779 CG ASP A 50 -13.617 -8.240 -2.383 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.717 -9.359 -1.908 1.00 0.00 O ATOM 781 OD2 ASP A 50 -14.221 -7.862 -3.374 1.00 0.00 O ATOM 0 H ASP A 50 -11.227 -5.982 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.619 -8.460 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.246 -6.408 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.970 -6.842 -2.419 1.00 0.00 H new ATOM 786 N ARG A 51 -9.859 -8.604 -1.682 1.00 0.00 N ATOM 787 CA ARG A 51 -8.936 -9.589 -2.319 1.00 0.00 C ATOM 788 C ARG A 51 -8.395 -10.600 -1.298 1.00 0.00 C ATOM 789 O ARG A 51 -8.219 -11.759 -1.616 1.00 0.00 O ATOM 790 CB ARG A 51 -7.771 -8.853 -2.984 1.00 0.00 C ATOM 791 CG ARG A 51 -7.165 -7.848 -2.011 1.00 0.00 C ATOM 792 CD ARG A 51 -6.002 -7.121 -2.686 1.00 0.00 C ATOM 793 NE ARG A 51 -4.998 -8.119 -3.152 1.00 0.00 N ATOM 794 CZ ARG A 51 -3.750 -7.768 -3.304 1.00 0.00 C ATOM 795 NH1 ARG A 51 -3.380 -6.542 -3.050 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.872 -8.644 -3.710 1.00 0.00 N ATOM 0 H ARG A 51 -9.533 -7.638 -1.684 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.502 -10.140 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.012 -9.568 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.119 -8.339 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.922 -7.130 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.816 -8.359 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.366 -6.534 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.540 -6.423 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.286 -9.077 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.066 -5.858 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.405 -6.269 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.161 -9.602 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.897 -8.371 -3.829 1.00 0.00 H new ATOM 810 N PHE A 52 -8.116 -10.196 -0.087 1.00 0.00 N ATOM 811 CA PHE A 52 -7.581 -11.176 0.898 1.00 0.00 C ATOM 812 C PHE A 52 -8.730 -11.819 1.673 1.00 0.00 C ATOM 813 O PHE A 52 -8.548 -12.799 2.368 1.00 0.00 O ATOM 814 CB PHE A 52 -6.624 -10.470 1.862 1.00 0.00 C ATOM 815 CG PHE A 52 -5.353 -10.113 1.131 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.393 -11.099 0.872 1.00 0.00 C ATOM 817 CD2 PHE A 52 -5.132 -8.797 0.711 1.00 0.00 C ATOM 818 CE1 PHE A 52 -3.215 -10.770 0.194 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.953 -8.466 0.031 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.995 -9.453 -0.227 1.00 0.00 C ATOM 0 H PHE A 52 -8.234 -9.243 0.258 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.037 -11.957 0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.091 -9.571 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.400 -11.118 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.563 -12.115 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.871 -8.035 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.475 -11.531 -0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.783 -7.450 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.086 -9.199 -0.751 1.00 0.00 H new ATOM 830 N GLY A 53 -9.912 -11.283 1.563 1.00 0.00 N ATOM 831 CA GLY A 53 -11.063 -11.873 2.296 1.00 0.00 C ATOM 832 C GLY A 53 -10.940 -11.518 3.772 1.00 0.00 C ATOM 833 O GLY A 53 -11.384 -12.248 4.636 1.00 0.00 O ATOM 0 H GLY A 53 -10.130 -10.463 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.002 -11.492 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.077 -12.955 2.168 1.00 0.00 H new ATOM 837 N ILE A 54 -10.327 -10.404 4.067 1.00 0.00 N ATOM 838 CA ILE A 54 -10.158 -9.999 5.489 1.00 0.00 C ATOM 839 C ILE A 54 -11.058 -8.802 5.797 1.00 0.00 C ATOM 840 O ILE A 54 -11.397 -8.032 4.926 1.00 0.00 O ATOM 841 CB ILE A 54 -8.697 -9.622 5.722 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.339 -8.423 4.838 1.00 0.00 C ATOM 843 CG2 ILE A 54 -7.803 -10.812 5.366 1.00 0.00 C ATOM 844 CD1 ILE A 54 -6.867 -8.061 5.033 1.00 0.00 C ATOM 0 H ILE A 54 -9.936 -9.757 3.383 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.436 -10.825 6.144 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.546 -9.359 6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.530 -8.661 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.970 -7.571 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.759 -10.545 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.064 -11.664 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.948 -11.076 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.616 -7.208 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.691 -7.805 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.244 -8.912 4.758 1.00 0.00 H new ATOM 856 N ALA A 55 -11.452 -8.643 7.033 1.00 0.00 N ATOM 857 CA ALA A 55 -12.331 -7.494 7.391 1.00 0.00 C ATOM 858 C ALA A 55 -11.499 -6.405 8.071 1.00 0.00 C ATOM 859 O ALA A 55 -10.810 -6.651 9.041 1.00 0.00 O ATOM 860 CB ALA A 55 -13.427 -7.969 8.347 1.00 0.00 C ATOM 0 H ALA A 55 -11.203 -9.258 7.808 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.786 -7.091 6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.070 -7.129 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.021 -8.744 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.971 -8.373 9.251 1.00 0.00 H new ATOM 866 N ALA A 56 -11.563 -5.199 7.574 1.00 0.00 N ATOM 867 CA ALA A 56 -10.780 -4.093 8.194 1.00 0.00 C ATOM 868 C ALA A 56 -11.355 -3.771 9.575 1.00 0.00 C ATOM 869 O ALA A 56 -10.660 -3.308 10.456 1.00 0.00 O ATOM 870 CB ALA A 56 -10.863 -2.850 7.306 1.00 0.00 C ATOM 0 H ALA A 56 -12.124 -4.932 6.765 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.739 -4.399 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.291 -2.040 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.453 -3.078 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.904 -2.545 7.204 1.00 0.00 H new ATOM 876 N ASP A 57 -12.624 -4.007 9.767 1.00 0.00 N ATOM 877 CA ASP A 57 -13.255 -3.710 11.086 1.00 0.00 C ATOM 878 C ASP A 57 -12.496 -4.427 12.205 1.00 0.00 C ATOM 879 O ASP A 57 -12.398 -3.936 13.312 1.00 0.00 O ATOM 880 CB ASP A 57 -14.707 -4.184 11.073 1.00 0.00 C ATOM 881 CG ASP A 57 -15.414 -3.698 12.339 1.00 0.00 C ATOM 882 OD1 ASP A 57 -15.872 -2.567 12.341 1.00 0.00 O ATOM 883 OD2 ASP A 57 -15.484 -4.463 13.287 1.00 0.00 O ATOM 0 H ASP A 57 -13.254 -4.394 9.065 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.220 -2.635 11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.218 -3.802 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.745 -5.272 11.017 1.00 0.00 H new ATOM 888 N ASP A 58 -11.967 -5.586 11.933 1.00 0.00 N ATOM 889 CA ASP A 58 -11.227 -6.333 12.990 1.00 0.00 C ATOM 890 C ASP A 58 -10.156 -5.433 13.609 1.00 0.00 C ATOM 891 O ASP A 58 -9.912 -5.475 14.799 1.00 0.00 O ATOM 892 CB ASP A 58 -10.564 -7.564 12.373 1.00 0.00 C ATOM 893 CG ASP A 58 -11.640 -8.565 11.948 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.783 -8.375 12.329 1.00 0.00 O ATOM 895 OD2 ASP A 58 -11.302 -9.505 11.248 1.00 0.00 O ATOM 0 H ASP A 58 -12.014 -6.049 11.026 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.926 -6.644 13.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.963 -7.273 11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.888 -8.025 13.093 1.00 0.00 H new ATOM 900 N VAL A 59 -9.510 -4.626 12.812 1.00 0.00 N ATOM 901 CA VAL A 59 -8.453 -3.729 13.345 1.00 0.00 C ATOM 902 C VAL A 59 -8.733 -2.290 12.906 1.00 0.00 C ATOM 903 O VAL A 59 -9.420 -2.051 11.934 1.00 0.00 O ATOM 904 CB VAL A 59 -7.106 -4.175 12.788 1.00 0.00 C ATOM 905 CG1 VAL A 59 -6.792 -5.591 13.274 1.00 0.00 C ATOM 906 CG2 VAL A 59 -7.161 -4.164 11.259 1.00 0.00 C ATOM 0 H VAL A 59 -9.673 -4.551 11.808 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.441 -3.776 14.434 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.328 -3.493 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.829 -5.908 12.874 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.754 -5.602 14.363 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.569 -6.274 12.931 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.199 -4.483 10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.940 -4.846 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.383 -3.156 10.910 1.00 0.00 H new ATOM 916 N GLU A 60 -8.203 -1.327 13.612 1.00 0.00 N ATOM 917 CA GLU A 60 -8.440 0.091 13.223 1.00 0.00 C ATOM 918 C GLU A 60 -7.249 0.599 12.408 1.00 0.00 C ATOM 919 O GLU A 60 -6.115 0.518 12.835 1.00 0.00 O ATOM 920 CB GLU A 60 -8.598 0.946 14.483 1.00 0.00 C ATOM 921 CG GLU A 60 -9.800 0.458 15.285 1.00 0.00 C ATOM 922 CD GLU A 60 -10.004 1.361 16.503 1.00 0.00 C ATOM 923 OE1 GLU A 60 -9.137 2.180 16.760 1.00 0.00 O ATOM 924 OE2 GLU A 60 -11.023 1.218 17.158 1.00 0.00 O ATOM 0 H GLU A 60 -7.619 -1.461 14.437 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.348 0.158 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.695 0.887 15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.731 1.993 14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.694 0.465 14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.643 -0.572 15.605 1.00 0.00 H new ATOM 931 N LEU A 61 -7.499 1.117 11.236 1.00 0.00 N ATOM 932 CA LEU A 61 -6.393 1.624 10.389 1.00 0.00 C ATOM 933 C LEU A 61 -6.416 3.154 10.372 1.00 0.00 C ATOM 934 O LEU A 61 -7.464 3.766 10.316 1.00 0.00 O ATOM 935 CB LEU A 61 -6.577 1.098 8.966 1.00 0.00 C ATOM 936 CG LEU A 61 -6.498 -0.429 8.967 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.903 -1.018 9.105 1.00 0.00 C ATOM 938 CD2 LEU A 61 -5.873 -0.906 7.653 1.00 0.00 C ATOM 0 H LEU A 61 -8.430 1.209 10.830 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.438 1.284 10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.539 1.422 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.808 1.511 8.313 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.885 -0.759 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.843 -2.106 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.349 -0.679 10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.519 -0.689 8.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.816 -1.994 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.487 -0.574 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.870 -0.490 7.555 1.00 0.00 H new ATOM 950 N SER A 62 -5.266 3.776 10.403 1.00 0.00 N ATOM 951 CA SER A 62 -5.217 5.262 10.373 1.00 0.00 C ATOM 952 C SER A 62 -4.672 5.703 9.015 1.00 0.00 C ATOM 953 O SER A 62 -3.936 4.980 8.376 1.00 0.00 O ATOM 954 CB SER A 62 -4.297 5.768 11.484 1.00 0.00 C ATOM 955 OG SER A 62 -3.396 6.727 10.948 1.00 0.00 O ATOM 0 H SER A 62 -4.358 3.314 10.448 1.00 0.00 H new ATOM 0 HA SER A 62 -6.215 5.672 10.526 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.887 6.214 12.285 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.744 4.936 11.920 1.00 0.00 H new ATOM 0 HG SER A 62 -2.806 7.054 11.659 1.00 0.00 H new ATOM 961 N PRO A 63 -5.029 6.875 8.570 1.00 0.00 N ATOM 962 CA PRO A 63 -4.567 7.403 7.256 1.00 0.00 C ATOM 963 C PRO A 63 -3.038 7.391 7.135 1.00 0.00 C ATOM 964 O PRO A 63 -2.492 7.373 6.050 1.00 0.00 O ATOM 965 CB PRO A 63 -5.098 8.843 7.213 1.00 0.00 C ATOM 966 CG PRO A 63 -5.570 9.158 8.597 1.00 0.00 C ATOM 967 CD PRO A 63 -5.900 7.828 9.264 1.00 0.00 C ATOM 0 HA PRO A 63 -4.930 6.790 6.431 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.317 9.536 6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.912 8.936 6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.800 9.690 9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.447 9.804 8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.696 7.854 10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.952 7.570 9.147 1.00 0.00 H new ATOM 975 N GLU A 64 -2.348 7.397 8.242 1.00 0.00 N ATOM 976 CA GLU A 64 -0.862 7.384 8.203 1.00 0.00 C ATOM 977 C GLU A 64 -0.380 6.022 7.716 1.00 0.00 C ATOM 978 O GLU A 64 0.692 5.892 7.160 1.00 0.00 O ATOM 979 CB GLU A 64 -0.321 7.646 9.605 1.00 0.00 C ATOM 980 CG GLU A 64 -0.778 9.021 10.078 1.00 0.00 C ATOM 981 CD GLU A 64 -0.165 9.323 11.447 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.421 8.421 12.023 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.293 10.450 11.896 1.00 0.00 O ATOM 0 H GLU A 64 -2.754 7.410 9.177 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.505 8.158 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.675 6.877 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.768 7.594 9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.478 9.783 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.866 9.052 10.141 1.00 0.00 H new ATOM 990 N HIS A 65 -1.163 5.005 7.925 1.00 0.00 N ATOM 991 CA HIS A 65 -0.750 3.651 7.478 1.00 0.00 C ATOM 992 C HIS A 65 -0.690 3.620 5.956 1.00 0.00 C ATOM 993 O HIS A 65 -0.043 2.779 5.363 1.00 0.00 O ATOM 994 CB HIS A 65 -1.770 2.625 7.962 1.00 0.00 C ATOM 995 CG HIS A 65 -1.763 1.439 7.040 1.00 0.00 C ATOM 996 ND1 HIS A 65 -2.898 1.034 6.350 1.00 0.00 N ATOM 997 CD2 HIS A 65 -0.770 0.567 6.672 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.562 -0.036 5.609 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.278 -0.359 5.771 1.00 0.00 N ATOM 0 H HIS A 65 -2.071 5.053 8.386 1.00 0.00 H new ATOM 0 HA HIS A 65 0.231 3.414 7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.532 2.311 8.978 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.764 3.071 7.991 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.819 1.469 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.249 0.596 7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.246 -0.567 4.964 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.366 4.529 5.318 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.357 4.557 3.835 1.00 0.00 C ATOM 1010 C PHE A 66 -0.321 5.573 3.359 1.00 0.00 C ATOM 1011 O PHE A 66 -0.310 5.986 2.216 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.744 4.948 3.328 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.787 4.106 4.025 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.110 4.363 5.362 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.434 3.075 3.334 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.078 3.590 6.009 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.403 2.301 3.984 1.00 0.00 C ATOM 1018 CZ PHE A 66 -5.724 2.560 5.322 1.00 0.00 C ATOM 0 H PHE A 66 -1.926 5.256 5.762 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.100 3.572 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.928 6.006 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.804 4.802 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.611 5.159 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.186 2.877 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.327 3.789 7.041 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.903 1.504 3.453 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.472 1.963 5.823 1.00 0.00 H new ATOM 1028 N ARG A 67 0.549 5.976 4.239 1.00 0.00 N ATOM 1029 CA ARG A 67 1.595 6.963 3.874 1.00 0.00 C ATOM 1030 C ARG A 67 2.340 6.497 2.620 1.00 0.00 C ATOM 1031 O ARG A 67 2.749 7.296 1.800 1.00 0.00 O ATOM 1032 CB ARG A 67 2.567 7.077 5.045 1.00 0.00 C ATOM 1033 CG ARG A 67 3.302 5.746 5.222 1.00 0.00 C ATOM 1034 CD ARG A 67 3.494 5.434 6.711 1.00 0.00 C ATOM 1035 NE ARG A 67 4.802 4.750 6.909 1.00 0.00 N ATOM 1036 CZ ARG A 67 5.890 5.456 7.071 1.00 0.00 C ATOM 1037 NH1 ARG A 67 5.831 6.760 7.046 1.00 0.00 N ATOM 1038 NH2 ARG A 67 7.035 4.860 7.258 1.00 0.00 N ATOM 0 H ARG A 67 0.579 5.658 5.208 1.00 0.00 H new ATOM 0 HA ARG A 67 1.142 7.932 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.282 7.879 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.028 7.332 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.736 4.945 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.271 5.790 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.461 6.354 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.682 4.801 7.069 1.00 0.00 H new ATOM 0 HE ARG A 67 4.849 3.731 6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.936 7.227 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.680 7.311 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.082 3.841 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.883 5.413 7.384 1.00 0.00 H new ATOM 1052 N SER A 68 2.521 5.213 2.459 1.00 0.00 N ATOM 1053 CA SER A 68 3.238 4.714 1.253 1.00 0.00 C ATOM 1054 C SER A 68 2.747 3.313 0.897 1.00 0.00 C ATOM 1055 O SER A 68 2.290 2.566 1.739 1.00 0.00 O ATOM 1056 CB SER A 68 4.744 4.663 1.527 1.00 0.00 C ATOM 1057 OG SER A 68 5.416 4.204 0.361 1.00 0.00 O ATOM 0 H SER A 68 2.205 4.492 3.108 1.00 0.00 H new ATOM 0 HA SER A 68 3.040 5.391 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.109 5.652 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.951 3.998 2.366 1.00 0.00 H new ATOM 0 HG SER A 68 6.313 4.597 0.324 1.00 0.00 H new ATOM 1063 N ILE A 69 2.855 2.950 -0.349 1.00 0.00 N ATOM 1064 CA ILE A 69 2.420 1.603 -0.780 1.00 0.00 C ATOM 1065 C ILE A 69 3.186 0.565 0.036 1.00 0.00 C ATOM 1066 O ILE A 69 2.681 -0.493 0.357 1.00 0.00 O ATOM 1067 CB ILE A 69 2.746 1.430 -2.262 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.235 2.647 -3.034 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.060 0.174 -2.785 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.404 3.578 -3.356 1.00 0.00 C ATOM 0 H ILE A 69 3.231 3.539 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 69 1.348 1.479 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 69 3.824 1.338 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.747 2.328 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.487 3.177 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.290 0.047 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.416 -0.693 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.982 0.268 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.038 4.445 -3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.872 3.908 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.136 3.046 -3.963 1.00 0.00 H new ATOM 1082 N ARG A 70 4.410 0.868 0.368 1.00 0.00 N ATOM 1083 CA ARG A 70 5.235 -0.085 1.157 1.00 0.00 C ATOM 1084 C ARG A 70 4.513 -0.422 2.463 1.00 0.00 C ATOM 1085 O ARG A 70 4.446 -1.565 2.873 1.00 0.00 O ATOM 1086 CB ARG A 70 6.562 0.592 1.502 1.00 0.00 C ATOM 1087 CG ARG A 70 7.266 1.041 0.223 1.00 0.00 C ATOM 1088 CD ARG A 70 8.250 2.160 0.564 1.00 0.00 C ATOM 1089 NE ARG A 70 9.304 1.637 1.477 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.436 2.274 1.601 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.645 3.372 0.926 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.360 1.815 2.401 1.00 0.00 N ATOM 0 H ARG A 70 4.876 1.742 0.124 1.00 0.00 H new ATOM 0 HA ARG A 70 5.402 -0.994 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.384 1.450 2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.199 -0.098 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.793 0.202 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.535 1.391 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.704 2.549 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.724 2.989 1.037 1.00 0.00 H new ATOM 0 HE ARG A 70 9.141 0.780 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.923 3.732 0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.530 3.870 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.197 0.958 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.245 2.313 2.497 1.00 0.00 H new ATOM 1106 N SER A 71 3.972 0.566 3.117 1.00 0.00 N ATOM 1107 CA SER A 71 3.253 0.312 4.398 1.00 0.00 C ATOM 1108 C SER A 71 1.993 -0.512 4.131 1.00 0.00 C ATOM 1109 O SER A 71 1.650 -1.401 4.886 1.00 0.00 O ATOM 1110 CB SER A 71 2.860 1.647 5.031 1.00 0.00 C ATOM 1111 OG SER A 71 2.374 1.417 6.347 1.00 0.00 O ATOM 0 H SER A 71 3.996 1.542 2.820 1.00 0.00 H new ATOM 0 HA SER A 71 3.907 -0.239 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.720 2.316 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.095 2.137 4.429 1.00 0.00 H new ATOM 0 HG SER A 71 2.122 2.271 6.757 1.00 0.00 H new ATOM 1117 N ILE A 72 1.292 -0.214 3.072 1.00 0.00 N ATOM 1118 CA ILE A 72 0.050 -0.963 2.765 1.00 0.00 C ATOM 1119 C ILE A 72 0.367 -2.439 2.524 1.00 0.00 C ATOM 1120 O ILE A 72 -0.250 -3.317 3.093 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.588 -0.362 1.516 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.858 1.127 1.752 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.902 -1.076 1.225 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.464 1.741 0.490 1.00 0.00 C ATOM 0 H ILE A 72 1.531 0.520 2.405 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.637 -0.890 3.608 1.00 0.00 H new ATOM 0 HB ILE A 72 0.086 -0.481 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.538 1.255 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.069 1.639 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.359 -0.648 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.711 -2.137 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.577 -0.955 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.656 2.801 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.768 1.625 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.400 1.235 0.253 1.00 0.00 H new ATOM 1136 N ASP A 73 1.322 -2.723 1.684 1.00 0.00 N ATOM 1137 CA ASP A 73 1.668 -4.144 1.411 1.00 0.00 C ATOM 1138 C ASP A 73 2.125 -4.813 2.706 1.00 0.00 C ATOM 1139 O ASP A 73 1.778 -5.941 2.994 1.00 0.00 O ATOM 1140 CB ASP A 73 2.807 -4.201 0.392 1.00 0.00 C ATOM 1141 CG ASP A 73 2.876 -5.602 -0.218 1.00 0.00 C ATOM 1142 OD1 ASP A 73 2.019 -6.409 0.102 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.784 -5.845 -0.995 1.00 0.00 O ATOM 0 H ASP A 73 1.877 -2.034 1.176 1.00 0.00 H new ATOM 0 HA ASP A 73 0.793 -4.661 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.646 -3.460 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.753 -3.956 0.874 1.00 0.00 H new ATOM 1148 N ALA A 74 2.911 -4.124 3.483 1.00 0.00 N ATOM 1149 CA ALA A 74 3.410 -4.709 4.756 1.00 0.00 C ATOM 1150 C ALA A 74 2.257 -4.906 5.738 1.00 0.00 C ATOM 1151 O ALA A 74 2.186 -5.900 6.432 1.00 0.00 O ATOM 1152 CB ALA A 74 4.443 -3.763 5.366 1.00 0.00 C ATOM 0 H ALA A 74 3.231 -3.175 3.289 1.00 0.00 H new ATOM 0 HA ALA A 74 3.865 -5.678 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.815 -4.184 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.273 -3.633 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.980 -2.796 5.563 1.00 0.00 H new ATOM 1158 N PHE A 75 1.356 -3.970 5.812 1.00 0.00 N ATOM 1159 CA PHE A 75 0.218 -4.115 6.760 1.00 0.00 C ATOM 1160 C PHE A 75 -0.620 -5.334 6.375 1.00 0.00 C ATOM 1161 O PHE A 75 -0.977 -6.143 7.208 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.647 -2.858 6.712 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.722 -2.947 7.769 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.449 -2.545 9.081 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -2.992 -3.432 7.435 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.445 -2.628 10.061 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -3.990 -3.515 8.416 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.715 -3.112 9.728 1.00 0.00 C ATOM 0 H PHE A 75 1.357 -3.113 5.259 1.00 0.00 H new ATOM 0 HA PHE A 75 0.603 -4.250 7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.032 -1.974 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.099 -2.752 5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.469 -2.170 9.338 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.203 -3.742 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.233 -2.319 11.074 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.970 -3.889 8.160 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.484 -3.175 10.484 1.00 0.00 H new ATOM 1178 N VAL A 76 -0.938 -5.474 5.117 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.751 -6.635 4.678 1.00 0.00 C ATOM 1180 C VAL A 76 -0.945 -7.926 4.848 1.00 0.00 C ATOM 1181 O VAL A 76 -1.426 -8.899 5.394 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.113 -6.448 3.208 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -2.905 -7.656 2.725 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -2.962 -5.186 3.049 1.00 0.00 C ATOM 0 H VAL A 76 -0.667 -4.830 4.374 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.657 -6.702 5.281 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.202 -6.350 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.165 -7.524 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.301 -8.556 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.817 -7.753 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.221 -5.052 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.874 -5.284 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.397 -4.321 3.397 1.00 0.00 H new ATOM 1194 N VAL A 77 0.278 -7.945 4.388 1.00 0.00 N ATOM 1195 CA VAL A 77 1.107 -9.170 4.527 1.00 0.00 C ATOM 1196 C VAL A 77 1.469 -9.381 5.997 1.00 0.00 C ATOM 1197 O VAL A 77 1.442 -10.484 6.506 1.00 0.00 O ATOM 1198 CB VAL A 77 2.382 -9.000 3.703 1.00 0.00 C ATOM 1199 CG1 VAL A 77 3.344 -10.139 4.022 1.00 0.00 C ATOM 1200 CG2 VAL A 77 2.036 -9.027 2.213 1.00 0.00 C ATOM 0 H VAL A 77 0.736 -7.162 3.922 1.00 0.00 H new ATOM 0 HA VAL A 77 0.550 -10.036 4.170 1.00 0.00 H new ATOM 0 HB VAL A 77 2.850 -8.047 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.255 -10.021 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.591 -10.120 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.875 -11.091 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.946 -8.906 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.569 -9.980 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.346 -8.215 1.985 1.00 0.00 H new ATOM 1210 N GLY A 78 1.814 -8.324 6.678 1.00 0.00 N ATOM 1211 CA GLY A 78 2.193 -8.443 8.113 1.00 0.00 C ATOM 1212 C GLY A 78 1.032 -9.029 8.922 1.00 0.00 C ATOM 1213 O GLY A 78 1.232 -9.773 9.861 1.00 0.00 O ATOM 0 H GLY A 78 1.850 -7.377 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.072 -9.079 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.462 -7.463 8.508 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.179 -8.686 8.577 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.348 -9.211 9.340 1.00 0.00 C ATOM 1219 C ALA A 79 -1.491 -10.721 9.129 1.00 0.00 C ATOM 1220 O ALA A 79 -1.781 -11.458 10.049 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.620 -8.510 8.861 1.00 0.00 C ATOM 0 H ALA A 79 -0.410 -8.066 7.801 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.192 -9.017 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.477 -8.891 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.528 -7.437 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.763 -8.702 7.798 1.00 0.00 H new ATOM 1227 N THR A 80 -1.296 -11.187 7.928 1.00 0.00 N ATOM 1228 CA THR A 80 -1.430 -12.647 7.669 1.00 0.00 C ATOM 1229 C THR A 80 -0.142 -13.360 8.067 1.00 0.00 C ATOM 1230 O THR A 80 -0.154 -14.506 8.468 1.00 0.00 O ATOM 1231 CB THR A 80 -1.705 -12.880 6.181 1.00 0.00 C ATOM 1232 OG1 THR A 80 -0.568 -12.487 5.425 1.00 0.00 O ATOM 1233 CG2 THR A 80 -2.918 -12.054 5.750 1.00 0.00 C ATOM 0 H THR A 80 -1.050 -10.621 7.116 1.00 0.00 H new ATOM 0 HA THR A 80 -2.258 -13.043 8.258 1.00 0.00 H new ATOM 0 HB THR A 80 -1.909 -13.937 6.009 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.113 -11.747 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.113 -12.220 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.789 -12.356 6.331 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.717 -10.996 5.920 1.00 0.00 H new ATOM 1241 N THR A 81 0.969 -12.690 7.952 1.00 0.00 N ATOM 1242 CA THR A 81 2.261 -13.321 8.312 1.00 0.00 C ATOM 1243 C THR A 81 3.077 -12.363 9.184 1.00 0.00 C ATOM 1244 O THR A 81 2.917 -11.164 9.108 1.00 0.00 O ATOM 1245 CB THR A 81 3.030 -13.634 7.032 1.00 0.00 C ATOM 1246 OG1 THR A 81 2.590 -12.770 5.995 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.782 -15.088 6.628 1.00 0.00 C ATOM 0 H THR A 81 1.035 -11.727 7.622 1.00 0.00 H new ATOM 0 HA THR A 81 2.081 -14.241 8.869 1.00 0.00 H new ATOM 0 HB THR A 81 4.096 -13.484 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.517 -11.856 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.332 -15.310 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.121 -15.750 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.716 -15.241 6.457 1.00 0.00 H new